=============================================================================== 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/rebuilderdjDHESL/inputs/rdkit_202603.4-1_amd64.buildinfo Source: rdkit Version: 202603.4-1 rebuilderd-worker node: osuosl44-amd64 +------------------------------------------------------------------------------+ | Downloading sources Mon, 03 Aug 2026 06:23:13 +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 [57.6 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/non-free-firmware Sources [6,552 B] Get:10 https://deb.debian.org/debian trixie/main Sources [10.5 MB] Get:11 https://deb.debian.org/debian-security trixie-security/main Sources [196 kB] Get:12 https://deb.debian.org/debian-security trixie-security/non-free-firmware Sources [696 B] Get:13 https://deb.debian.org/debian trixie-updates/main Sources [1,840 B] Get:14 https://deb.debian.org/debian trixie-proposed-updates/main Sources [117 kB] Get:15 https://deb.debian.org/debian trixie-backports/non-free-firmware Sources [3,396 B] Get:16 https://deb.debian.org/debian trixie-backports/main Sources [293 kB] Get:17 https://deb.debian.org/debian forky/non-free-firmware Sources [7,856 B] Get:18 https://deb.debian.org/debian forky/main Sources [11.1 MB] Get:19 https://deb.debian.org/debian sid/main Sources [11.8 MB] Get:20 https://deb.debian.org/debian sid/non-free-firmware Sources [10.6 kB] Get:21 https://deb.debian.org/debian experimental/non-free-firmware Sources [2,568 B] Get:22 https://deb.debian.org/debian experimental/main Sources [370 kB] Fetched 35.2 MB in 33s (1,076 kB/s) Reading package lists... 'https://deb.debian.org/debian/pool/main/r/rdkit/rdkit_202603.4-1.dsc' rdkit_202603.4-1.dsc 3102 SHA256:f2c613e5841319b5642252e158c8adb484d50f6bfc8632de53680be4f518b483 'https://deb.debian.org/debian/pool/main/r/rdkit/rdkit_202603.4.orig.tar.xz' rdkit_202603.4.orig.tar.xz 64664440 SHA256:6fef535276a2d625682a15ee85742290227a7059cf8ca57b17149f3963cc242c 'https://deb.debian.org/debian/pool/main/r/rdkit/rdkit_202603.4-1.debian.tar.xz' rdkit_202603.4-1.debian.tar.xz 49240 SHA256:5246a86e7dbe5575bed9e23d42f9dff3e85f65e02c3b093d3f9cf955cc057e35 6fef535276a2d625682a15ee85742290227a7059cf8ca57b17149f3963cc242c rdkit_202603.4.orig.tar.xz 5246a86e7dbe5575bed9e23d42f9dff3e85f65e02c3b093d3f9cf955cc057e35 rdkit_202603.4-1.debian.tar.xz f2c613e5841319b5642252e158c8adb484d50f6bfc8632de53680be4f518b483 rdkit_202603.4-1.dsc +------------------------------------------------------------------------------+ | Calling debrebuild Mon, 03 Aug 2026 06:23:48 +0000 | +------------------------------------------------------------------------------+ Rebuilding rdkit=202603.4-1 in /srv/rebuilderd/tmp/rebuilderdjDHESL/inputs now. + /usr/bin/debrebuild --buildresult=/srv/rebuilderd/tmp/rebuilderdjDHESL/out --builder=sbuild+unshare --cache=/srv/rebuilderd/cache -- /srv/rebuilderd/tmp/rebuilderdjDHESL/inputs/rdkit_202603.4-1_amd64.buildinfo /srv/rebuilderd/tmp/rebuilderdjDHESL/inputs/rdkit_202603.4-1_amd64.buildinfo contains a GPG signature which has NOT been validated Using defined Build-Path: /build/reproducible-path/rdkit-202603.4 I: verifying dsc... successful! Get:1 http://deb.debian.org/debian unstable InRelease [193 kB] Get:2 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable InRelease [193 kB] Get:3 http://snapshot.debian.org/archive/debian/20260801T082401Z unstable InRelease [193 kB] Get:4 http://deb.debian.org/debian unstable/main amd64 Packages [10.7 MB] Get:5 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 Packages [10.6 MB] Get:6 http://snapshot.debian.org/archive/debian/20260801T082401Z unstable/main amd64 Packages [10.7 MB] Fetched 32.6 MB in 3s (10.0 MB/s) Reading package lists... W: http://snapshot.debian.org/archive/debian/20260725T082357Z/dists/unstable/InRelease: Loading /etc/apt/trusted.gpg from deprecated option Dir::Etc::Trusted W: http://snapshot.debian.org/archive/debian/20260801T082401Z/dists/unstable/InRelease: Loading /etc/apt/trusted.gpg from deprecated option Dir::Etc::Trusted Get:1 http://deb.debian.org/debian unstable/main amd64 libsvtav1enc4 amd64 4.1.0+dfsg-1 [2414 kB] Fetched 2414 kB in 0s (126 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpd88_ipg2/libsvtav1enc4_4.1.0+dfsg-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 native-architecture all 0.2.6 [2264 B] Fetched 2264 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdpqndyip/native-architecture_0.2.6_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpython3.14 amd64 3.14.6-1 [2376 kB] Fetched 2376 kB in 0s (126 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkfltmbn2/libpython3.14_3.14.6-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libattr1 amd64 1:2.6.0-1 [24.7 kB] Fetched 24.7 kB in 0s (0 B/s) dpkg-name: info: moved 'libattr1_1%3a2.6.0-1_amd64.deb' to '/srv/rebuilderd/tmp/tmpqw0anvbo/libattr1_2.6.0-1_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libnghttp2-14 amd64 1.69.0-1 [89.0 kB] Fetched 89.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpy41pydp9/libnghttp2-14_1.69.0-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 dh-python all 7.20260623 [114 kB] Fetched 114 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxf8vkbwl/dh-python_7.20260623_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 po-debconf all 1.0.22 [216 kB] Fetched 216 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpftqkpkqf/po-debconf_1.0.22_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Fetched 22.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6dnnklc2/intltool-debian_0.35.0+20060710.6_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpangoft2-1.0-0 amd64 1.58.0-1 [53.1 kB] Fetched 53.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp03yke3tl/libpangoft2-1.0-0_1.58.0-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 cpp-15-x86-64-linux-gnu amd64 15.3.0-2 [12.2 MB] Fetched 12.2 MB in 0s (177 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_biz1w4p/cpp-15-x86-64-linux-gnu_15.3.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-serialization1.90-dev amd64 1.90.0-6 [364 kB] Fetched 364 kB in 0s (7210 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkyf73o1x/libboost-serialization1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpcre2-posix3 amd64 10.46-1+b2 [63.3 kB] Fetched 63.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqhk_ygai/libpcre2-posix3_10.46-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 texlive-latex-base all 2026.20260711-2 [1451 kB] Fetched 1451 kB in 0s (96.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpltcgigkw/texlive-latex-base_2026.20260711-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3.14-minimal amd64 3.14.6-1 [2416 kB] Fetched 2416 kB in 0s (123 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpic5th463/python3.14-minimal_3.14.6-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 passwd amd64 1:4.19.3-2 [1284 kB] Fetched 1284 kB in 0s (93.1 MB/s) dpkg-name: info: moved 'passwd_1%3a4.19.3-2_amd64.deb' to '/srv/rebuilderd/tmp/tmpwo9qye0y/passwd_4.19.3-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 pkgconf-bin amd64 2.5.1-4 [35.9 kB] Fetched 35.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwyldo4w8/pkgconf-bin_2.5.1-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 xdg-utils all 1.2.1-2 [75.8 kB] Fetched 75.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpem9jkdch/xdg-utils_1.2.1-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libexpat1-dev amd64 2.8.2-1 [177 kB] Fetched 177 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo16x8tnu/libexpat1-dev_2.8.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxrender-dev amd64 1:0.9.12-1+b2 [38.8 kB] Fetched 38.8 kB in 0s (0 B/s) dpkg-name: info: moved 'libxrender-dev_1%3a0.9.12-1+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmp746gokma/libxrender-dev_0.9.12-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 base-passwd amd64 3.6.8 [54.6 kB] Fetched 54.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpk3nstg67/base-passwd_3.6.8_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libdebconfclient0 amd64 0.283 [7572 B] Fetched 7572 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpaqdrxn4q/libdebconfclient0_0.283_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 linux-libc-dev all 7.1.4-1 [1975 kB] Fetched 1975 kB in 0s (5714 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqna6r5fq/linux-libc-dev_7.1.4-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-certifi all 2026.7.22+ds-1 [9928 B] Fetched 9928 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_tu4gt_l/python3-certifi_2026.7.22+ds-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 postgresql-common-dev all 293 [75.2 kB] Fetched 75.2 kB in 0s (2585 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptgnirlfk/postgresql-common-dev_293_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsepol-dev amd64 3.11-1 [378 kB] Fetched 378 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpneryeps8/libsepol-dev_3.11-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 librsvg2-bin amd64 2.62.1+dfsg-1 [1984 kB] Fetched 1984 kB in 0s (21.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe8kszco4/librsvg2-bin_2.62.1+dfsg-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcom-err2 amd64 1.47.4-1 [19.2 kB] Fetched 19.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptw11vjmg/libcom-err2_1.47.4-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-iostreams-dev amd64 1.90.0.2 [2844 B] Fetched 2844 B in 0s (133 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwcfnsbc_/libboost-iostreams-dev_1.90.0.2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgcc-15-dev amd64 15.3.0-2 [2717 kB] Fetched 2717 kB in 0s (113 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdhgsntx6/libgcc-15-dev_15.3.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-jinja2 all 3.1.6-3 [106 kB] Fetched 106 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpli42lrng/python3-jinja2_3.1.6-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-graph1.90-dev amd64 1.90.0-6 [378 kB] Fetched 378 kB in 0s (2195 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplbjl6wmq/libboost-graph1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-python1.90-dev amd64 1.90.0-6 [359 kB] Fetched 359 kB in 0s (4583 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpp7kuhhl5/libboost-python1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 latexmk all 1:4.88~ds-1 [515 kB] Fetched 515 kB in 0s (12.5 MB/s) dpkg-name: info: moved 'latexmk_1%3a4.88~ds-1_all.deb' to '/srv/rebuilderd/tmp/tmpwpj815nc/latexmk_4.88~ds-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxapian30 amd64 1.4.31-2 [1172 kB] Fetched 1172 kB in 0s (79.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpof93ees_/libxapian30_1.4.31-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-date-time1.90.0 amd64 1.90.0-6 [222 kB] Fetched 222 kB in 0s (5416 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjlx261t3/libboost-date-time1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 perl amd64 5.42.2-3 [265 kB] Fetched 265 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppso_ipvn/perl_5.42.2-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 g++-15-x86-64-linux-gnu amd64 15.3.0-2 [13.3 MB] Fetched 13.3 MB in 0s (188 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprq5_im50/g++-15-x86-64-linux-gnu_15.3.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 m4 amd64 1.4.21-1 [332 kB] Fetched 332 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0climtoz/m4_1.4.21-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libheif1 amd64 1.23.1-1 [761 kB] Fetched 761 kB in 0s (67.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpagdg0s23/libheif1_1.23.1-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-iostreams1.90-dev amd64 1.90.0-6 [253 kB] Fetched 253 kB in 0s (5322 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp319i8_od/libboost-iostreams1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 liblcms2-2 amd64 2.19.1-1 [164 kB] Fetched 164 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7or669ne/liblcms2-2_2.19.1-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libfontconfig1 amd64 2.17.1-5 [132 kB] Fetched 132 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphrfoi6rf/libfontconfig1_2.17.1-5_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libnettle8t64 amd64 3.10.2-1+b1 [305 kB] Fetched 305 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpoyzbcvvp/libnettle8t64_3.10.2-1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 dash amd64 0.5.12-12 [98.5 kB] Fetched 98.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmps80n1una/dash_0.5.12-12_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 llvm-21-tools amd64 1:21.1.8-10 [462 kB] Fetched 462 kB in 0s (0 B/s) dpkg-name: info: moved 'llvm-21-tools_1%3a21.1.8-10_amd64.deb' to '/srv/rebuilderd/tmp/tmpnduy4p41/llvm-21-tools_21.1.8-10_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libdb5.3t64 amd64 5.3.28+dfsg2-11+b1 [709 kB] Fetched 709 kB in 0s (60.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcht7epea/libdb5.3t64_5.3.28+dfsg2-11+b1_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 g++-x86-64-linux-gnu amd64 4:15.2.0-5+b1 [1204 B] Fetched 1204 B in 0s (0 B/s) dpkg-name: info: moved 'g++-x86-64-linux-gnu_4%3a15.2.0-5+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmpdeoi9vvi/g++-x86-64-linux-gnu_15.2.0-5+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpkgconf7 amd64 2.5.1-4 [47.8 kB] Fetched 47.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuzz4pphg/libpkgconf7_2.5.1-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python-babel-localedata all 2.17.0-2 [6052 kB] Fetched 6052 kB in 0s (165 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpan9k6wl4/python-babel-localedata_2.17.0-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-program-options1.90-dev amd64 1.90.0-6 [366 kB] Fetched 366 kB in 0s (7606 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbp8bje42/libboost-program-options1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpangocairo-1.0-0 amd64 1.58.0-1 [34.2 kB] Fetched 34.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9qaqaiq3/libpangocairo-1.0-0_1.58.0-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libseccomp2 amd64 2.6.1-1 [49.9 kB] Fetched 49.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvy731oz0/libseccomp2_2.6.1-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-iniconfig all 2.1.0-2 [7540 B] Fetched 7540 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp113mr3a7/python3-iniconfig_2.1.0-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 adduser all 3.158 [226 kB] Fetched 226 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptks5tpaq/adduser_3.158_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libinchi-dev amd64 1.07.3+dfsg-2 [19.6 kB] Fetched 19.6 kB in 0s (91.0 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpikcrawr3/libinchi-dev_1.07.3+dfsg-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libproc2-1 amd64 2:4.0.6-3 [69.4 kB] Fetched 69.4 kB in 0s (0 B/s) dpkg-name: info: moved 'libproc2-1_2%3a4.0.6-3_amd64.deb' to '/srv/rebuilderd/tmp/tmpgxg6oygp/libproc2-1_4.0.6-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libncurses6 amd64 6.6+20260608-2 [107 kB] Fetched 107 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpibyyz1nm/libncurses6_6.6+20260608-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxdmcp-dev amd64 1:1.1.5-2+b1 [44.0 kB] Fetched 44.0 kB in 0s (0 B/s) dpkg-name: info: moved 'libxdmcp-dev_1%3a1.1.5-2+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmpuave18kx/libxdmcp-dev_1.1.5-2+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-python1.90.0 amd64 1.90.0-6 [345 kB] Fetched 345 kB in 0s (3067 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp386r8mil/libboost-python1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-requests all 2.34.2-1 [77.6 kB] Fetched 77.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_5b6m7my/python3-requests_2.34.2-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost1.90-dev amd64 1.90.0-6 [11.3 MB] Fetched 11.3 MB in 0s (185 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgy7r7wpt/libboost1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 llvm-21 amd64 1:21.1.8-10 [18.6 MB] Fetched 18.6 MB in 0s (179 MB/s) dpkg-name: info: moved 'llvm-21_1%3a21.1.8-10_amd64.deb' to '/srv/rebuilderd/tmp/tmp__pvx3un/llvm-21_21.1.8-10_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libuv1t64 amd64 1.52.1-4 [158 kB] Fetched 158 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgkw6fb_h/libuv1t64_1.52.1-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-container1.90.0 amd64 1.90.0-6 [252 kB] Fetched 252 kB in 0s (6544 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjh62mjox/libboost-container1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libeigen3-dev all 3.4.0-5 [1034 kB] Fetched 1034 kB in 0s (17.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpq234pq7r/libeigen3-dev_3.4.0-5_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpam-modules-bin amd64 1.7.0-8 [46.3 kB] Fetched 46.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpn252uo5x/libpam-modules-bin_1.7.0-8_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 binutils amd64 2.46.90.20260712-1 [282 kB] Fetched 282 kB in 0s (6478 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6qhget7o/binutils_2.46.90.20260712-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 liblzma5 amd64 5.8.3-1 [332 kB] Fetched 332 kB in 0s (31.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmparxmhf13/liblzma5_5.8.3-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libk5crypto3 amd64 1.22.1-3 [79.0 kB] Fetched 79.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8j7lq17_/libk5crypto3_1.22.1-3_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 findutils amd64 4.10.0-4 [700 kB] Fetched 700 kB in 0s (2220 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpklb1so03/findutils_4.10.0-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 librhash1 amd64 1.4.6-1.1+b1 [135 kB] Fetched 135 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzxnrdhxj/librhash1_1.4.6-1.1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-dateutil all 2.9.0-5 [78.7 kB] Fetched 78.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb5dsuzd_/python3-dateutil_2.9.0-5_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 glycin-loaders amd64 2.1.5+ds-2 [2733 kB] Fetched 2733 kB in 0s (125 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpk84ujnc6/glycin-loaders_2.1.5+ds-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libde265-0 amd64 1.1.1-1 [201 kB] Fetched 201 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjqpf4oym/libde265-0_1.1.1-1_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libctf0 amd64 2.46.90.20260712-1 [91.7 kB] Fetched 91.7 kB in 0s (2810 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp99_3gnfk/libctf0_2.46.90.20260712-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 tex-common all 6.20 [29.7 kB] Fetched 29.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjut_z4rx/tex-common_6.20_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmpfr6 amd64 4.2.2-3 [729 kB] Fetched 729 kB in 0s (65.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdx0d5z1m/libmpfr6_4.2.2-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 liblapack3 amd64 3.12.1-8 [2548 kB] Fetched 2548 kB in 0s (133 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpejymdjvl/liblapack3_3.12.1-8_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 login.defs all 1:4.19.3-2 [208 kB] Fetched 208 kB in 0s (0 B/s) dpkg-name: info: moved 'login.defs_1%3a4.19.3-2_all.deb' to '/srv/rebuilderd/tmp/tmp9yn2b1nu/login.defs_4.19.3-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 ca-certificates all 20260601 [134 kB] Fetched 134 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpi1vob_6m/ca-certificates_20260601_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 librav1e0.8 amd64 0.8.1-11 [966 kB] Fetched 966 kB in 0s (79.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0kuydv07/librav1e0.8_0.8.1-11_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 tex-gyre all 20180621-8 [6208 kB] Fetched 6208 kB in 3s (2397 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2yn9e8bg/tex-gyre_20180621-8_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libfontbox-java all 1:1.8.16-5 [211 kB] Fetched 211 kB in 0s (0 B/s) dpkg-name: info: moved 'libfontbox-java_1%3a1.8.16-5_all.deb' to '/srv/rebuilderd/tmp/tmpayilhxzy/libfontbox-java_1.8.16-5_all.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libarchive13t64 amd64 3.8.8-2 [362 kB] Fetched 362 kB in 0s (27.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4xc2nk9s/libarchive13t64_3.8.8-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libexpat1 amd64 2.8.2-1 [121 kB] Fetched 121 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9zene9qs/libexpat1_2.8.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-date-time1.90-dev amd64 1.90.0-6 [231 kB] Fetched 231 kB in 0s (2560 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptth9tafn/libboost-date-time1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpotrace0 amd64 1.16-2+b3 [25.5 kB] Fetched 25.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppjef0m4q/libpotrace0_1.16-2+b3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-minimal amd64 3.14.6-1 [25.1 kB] Fetched 25.1 kB in 0s (2394 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpm0tfmjz6/python3-minimal_3.14.6-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libimagequant0 amd64 4.4.1-1+b2 [255 kB] Fetched 255 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_646qdyi/libimagequant0_4.4.1-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libfontenc1 amd64 1:1.1.8-1+b3 [23.4 kB] Fetched 23.4 kB in 0s (0 B/s) dpkg-name: info: moved 'libfontenc1_1%3a1.1.8-1+b3_amd64.deb' to '/srv/rebuilderd/tmp/tmpgssczga6/libfontenc1_1.1.8-1+b3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-atomic1.90.0 amd64 1.90.0-6 [227 kB] Fetched 227 kB in 0s (5872 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb48hkogh/libboost-atomic1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libjansson4 amd64 2.15.1-1 [65.6 kB] Fetched 65.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfzqw0rn_/libjansson4_2.15.1-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libteckit0 amd64 2.5.13+ds-2 [370 kB] Fetched 370 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuynvrw7c/libteckit0_2.5.13+ds-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libaudit1 amd64 1:4.1.2-1+b1 [60.2 kB] Fetched 60.2 kB in 0s (0 B/s) dpkg-name: info: moved 'libaudit1_1%3a4.1.2-1+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmp_d2k026k/libaudit1_4.1.2-1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpython3.14-dev amd64 3.14.6-1 [5447 kB] Fetched 5447 kB in 0s (165 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpi0wmli3p/libpython3.14-dev_3.14.6-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcairo-gobject2 amd64 1.18.4-3+b1 [129 kB] Fetched 129 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0pk1z3ee/libcairo-gobject2_1.18.4-3+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 rpcsvc-proto amd64 1.4.4-1 [63.4 kB] Fetched 63.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqsaxi23f/rpcsvc-proto_1.4.4-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 imagemagick-7.q16 amd64 8:7.1.2.27+dfsg1-1+b1 [732 kB] Fetched 732 kB in 0s (7757 kB/s) dpkg-name: info: moved 'imagemagick-7.q16_8%3a7.1.2.27+dfsg1-1+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmpkdyt4zc2/imagemagick-7.q16_7.1.2.27+dfsg1-1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpython3.14-stdlib amd64 3.14.6-1 [2278 kB] Fetched 2278 kB in 0s (119 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpu1iyv6vt/libpython3.14-stdlib_3.14.6-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-numpy1.90-dev amd64 1.90.0-6 [242 kB] Fetched 242 kB in 0s (5921 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpexytfarl/libboost-numpy1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxpm4 amd64 1:3.5.19-1 [58.9 kB] Fetched 58.9 kB in 0s (0 B/s) dpkg-name: info: moved 'libxpm4_1%3a3.5.19-1_amd64.deb' to '/srv/rebuilderd/tmp/tmp4scda1qg/libxpm4_3.5.19-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-mdit-py-plugins all 0.6.1-1 [39.2 kB] Fetched 39.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp035fob96/python3-mdit-py-plugins_0.6.1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libjpeg62-turbo amd64 1:3.1.3-4 [213 kB] Fetched 213 kB in 0s (0 B/s) dpkg-name: info: moved 'libjpeg62-turbo_1%3a3.1.3-4_amd64.deb' to '/srv/rebuilderd/tmp/tmp320w3jp1/libjpeg62-turbo_3.1.3-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libltdl7 amd64 2.5.4-11 [416 kB] Fetched 416 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjsvsbv7y/libltdl7_2.5.4-11_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-regex1.90.0 amd64 1.90.0-6 [327 kB] Fetched 327 kB in 0s (5582 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpn8ecwhuc/libboost-regex1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libice-dev amd64 2:1.1.1-1+b2 [75.3 kB] Fetched 75.3 kB in 0s (0 B/s) dpkg-name: info: moved 'libice-dev_2%3a1.1.1-1+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmp_aioqha0/libice-dev_1.1.1-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libbrotli-dev amd64 1.2.0-3 [324 kB] Fetched 324 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6hqmyvfr/libbrotli-dev_1.2.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libdatrie1 amd64 0.2.14-2 [39.1 kB] Fetched 39.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9r3u2lkj/libdatrie1_0.2.14-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 tzdata all 2026c-1 [260 kB] Fetched 260 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpljn4oj9j/tzdata_2026c-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcrypt1 amd64 1:4.5.1-1+b1 [96.4 kB] Fetched 96.4 kB in 0s (0 B/s) dpkg-name: info: moved 'libcrypt1_1%3a4.5.1-1+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmpvmunn17c/libcrypt1_4.5.1-1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 mawk amd64 1.3.4.20260302-1 [142 kB] Fetched 142 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl80taclk/mawk_1.3.4.20260302-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 bzip2 amd64 1.0.8-6+b2 [40.4 kB] Fetched 40.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo96n09vq/bzip2_1.0.8-6+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpq-dev amd64 18.4-1+b2 [169 kB] Fetched 169 kB in 0s (2129 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpupymou3c/libpq-dev_18.4-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxml2-16 amd64 2.15.3+dfsg-1 [642 kB] Fetched 642 kB in 0s (61.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpthiw8f4r/libxml2-16_2.15.3+dfsg-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libwebp7 amd64 1.5.0-0.1+b2 [335 kB] Fetched 335 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpj97ta1nk/libwebp7_1.5.0-0.1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libssh2-1t64 amd64 1.11.1-5 [245 kB] Fetched 245 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo8yd1sf8/libssh2-1t64_1.11.1-5_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 preview-latex-style all 13.2-1.1 [350 kB] Fetched 350 kB in 0s (28.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7uxyvztq/preview-latex-style_13.2-1.1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libc-bin amd64 2.42-17 [620 kB] Fetched 620 kB in 0s (59.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpu33tm7dz/libc-bin_2.42-17_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 liblerc4 amd64 4.1.1+ds-2 [199 kB] Fetched 199 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyaagx_9_/liblerc4_4.1.1+ds-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libfreetype6 amd64 2.14.3+dfsg-2 [492 kB] Fetched 492 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxw0kvv3z/libfreetype6_2.14.3+dfsg-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-pil amd64 12.3.0-1 [562 kB] Fetched 562 kB in 0s (52.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpy02sy4la/python3-pil_12.3.0-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libblkid1 amd64 2.42.2-2 [173 kB] Fetched 173 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvvrmz_fo/libblkid1_2.42.2-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libclang-cpp21 amd64 1:21.1.8-10 [12.8 MB] Fetched 12.8 MB in 0s (186 MB/s) dpkg-name: info: moved 'libclang-cpp21_1%3a21.1.8-10_amd64.deb' to '/srv/rebuilderd/tmp/tmp23k9a8uw/libclang-cpp21_21.1.8-10_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 gcc-15-x86-64-linux-gnu amd64 15.3.0-2 [23.6 MB] Fetched 23.6 MB in 0s (190 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpd9sy4h7m/gcc-15-x86-64-linux-gnu_15.3.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcairo2-dev amd64 1.18.4-3+b1 [41.8 kB] Fetched 41.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpiob18vo4/libcairo2-dev_1.18.4-3+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsystemd-shared amd64 261.2-1 [2571 kB] Fetched 2571 kB in 0s (121 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3yspk0b3/libsystemd-shared_261.2-1_amd64.deb' Downloading dependency 1 of 512: libsvtav1enc4:amd64=4.1.0+dfsg-1 Downloading dependency 2 of 512: native-architecture:amd64=0.2.6 Downloading dependency 3 of 512: libpython3.14:amd64=3.14.6-1 Downloading dependency 4 of 512: libattr1:amd64=1:2.6.0-1 Downloading dependency 5 of 512: libnghttp2-14:amd64=1.69.0-1 Downloading dependency 6 of 512: dh-python:amd64=7.20260623 Downloading 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dependency 99 of 512: libpython3.14-stdlib:amd64=3.14.6-1 Downloading dependency 100 of 512: libboost-numpy1.90-dev:amd64=1.90.0-6 Downloading dependency 101 of 512: libxpm4:amd64=1:3.5.19-1 Downloading dependency 102 of 512: python3-mdit-py-plugins:amd64=0.6.1-1 Downloading dependency 103 of 512: libjpeg62-turbo:amd64=1:3.1.3-4 Downloading dependency 104 of 512: libltdl7:amd64=2.5.4-11 Downloading dependency 105 of 512: libboost-regex1.90.0:amd64=1.90.0-6 Downloading dependency 106 of 512: libice-dev:amd64=2:1.1.1-1+b2 Downloading dependency 107 of 512: libbrotli-dev:amd64=1.2.0-3 Downloading dependency 108 of 512: libdatrie1:amd64=0.2.14-2 Downloading dependency 109 of 512: tzdata:amd64=2026c-1 Downloading dependency 110 of 512: libcrypt1:amd64=1:4.5.1-1+b1 Downloading dependency 111 of 512: mawk:amd64=1.3.4.20260302-1 Downloading dependency 112 of 512: bzip2:amd64=1.0.8-6+b2 Downloading dependency 113 of 512: libpq-dev:amd64=18.4-1+b2 Downloading dependency 114 of 512: libxml2-16:amd64=2.15.3+dfsg-1 Downloading dependency 115 of 512: libwebp7:amd64=1.5.0-0.1+b2 Downloading dependency 116 of 512: libssh2-1t64:amd64=1.11.1-5 Downloading dependency 117 of 512: preview-latex-style:amd64=13.2-1.1 Downloading dependency 118 of 512: libc-bin:amd64=2.42-17 Downloading dependency 119 of 512: liblerc4:amd64=4.1.1+ds-2 Downloading dependency 120 of 512: libfreetype6:amd64=2.14.3+dfsg-2 Downloading dependency 121 of 512: python3-pil:amd64=12.3.0-1 Downloading dependency 122 of 512: libblkid1:amd64=2.42.2-2 Downloading dependency 123 of 512: libclang-cpp21:amd64=1:21.1.8-10 Downloading dependency 124 of 512: gcc-15-x86-64-linux-gnu:amd64=15.3.0-2 Downloading dependency 125 of 512: libcairo2-dev:amd64=1.18.4-3+b1 Downloading dependency 126 of 512: libsystemd-shared:amd64=261.2-1 Downloading dependency 127 of 512: libpdfbox-java:amd64=1:1.8.16-5Get:1 http://deb.debian.org/debian unstable/main amd64 libpdfbox-java all 1:1.8.16-5 [5527 kB] Fetched 5527 kB in 0s (159 MB/s) dpkg-name: info: moved 'libpdfbox-java_1%3a1.8.16-5_all.deb' to '/srv/rebuilderd/tmp/tmpbbcz2j8u/libpdfbox-java_1.8.16-5_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgdbm-compat4t64 amd64 1.26-1+b2 [52.0 kB] Fetched 52.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7t9dgkq_/libgdbm-compat4t64_1.26-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-pygments all 2.20.0+dfsg-2 [850 kB] Fetched 850 kB in 0s (73.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpz7qh6cu0/python3-pygments_2.20.0+dfsg-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libheif-plugin-dav1d amd64 1.23.1-1 [19.8 kB] Fetched 19.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp51xa2_2b/libheif-plugin-dav1d_1.23.1-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcurl4t64 amd64 8.21.0-2 [422 kB] Fetched 422 kB in 0s (41.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpndlgos3a/libcurl4t64_8.21.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 liblzo2-2 amd64 2.10-3+b2 [57.4 kB] Fetched 57.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpw9dogjsm/liblzo2-2_2.10-3+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 groff-base amd64 1.24.1-1 [1336 kB] Fetched 1336 kB in 0s (93.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4ycf_xvg/groff-base_1.24.1-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmagic1t64 amd64 1:5.47-4 [111 kB] Fetched 111 kB in 0s (0 B/s) dpkg-name: info: moved 'libmagic1t64_1%3a5.47-4_amd64.deb' to '/srv/rebuilderd/tmp/tmpani0jpm8/libmagic1t64_5.47-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 texlive-base all 2026.20260711-2 [24.5 MB] Fetched 24.5 MB in 0s (191 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpthbfz86d/texlive-base_2026.20260711-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libx11-6 amd64 2:1.8.13-1 [829 kB] Fetched 829 kB in 0s (73.0 MB/s) dpkg-name: info: moved 'libx11-6_2%3a1.8.13-1_amd64.deb' to '/srv/rebuilderd/tmp/tmp6atopfsy/libx11-6_1.8.13-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 uuid-dev amd64 2.42.2-2 [45.0 kB] Fetched 45.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkdt01ier/uuid-dev_2.42.2-2_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libglib2.0-data all 2.88.2-1 [1276 kB] Fetched 1276 kB in 0s (92.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfiizwtsd/libglib2.0-data_2.88.2-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-myst-parser all 5.1.0-2 [80.2 kB] Fetched 80.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpaku617q4/python3-myst-parser_5.1.0-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 flex amd64 2.6.4-8.2+b5 [425 kB] Fetched 425 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpq779vv3w/flex_2.6.4-8.2+b5_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libllvm21 amd64 1:21.1.8-10 [28.2 MB] Fetched 28.2 MB in 0s (189 MB/s) dpkg-name: info: moved 'libllvm21_1%3a21.1.8-10_amd64.deb' to '/srv/rebuilderd/tmp/tmp_e2zctgc/libllvm21_21.1.8-10_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libjxl0.11 amd64 0.11.2-5 [1256 kB] Fetched 1256 kB in 0s (93.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5u2l9udr/libjxl0.11_0.11.2-5_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsm6 amd64 2:1.2.6-1+b2 [37.9 kB] Fetched 37.9 kB in 0s (0 B/s) dpkg-name: info: moved 'libsm6_2%3a1.2.6-1+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmpfzl1jlen/libsm6_1.2.6-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libz3-4 amd64 4.13.3-1.1 [8644 kB] Fetched 8644 kB in 0s (173 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwgpqo_mc/libz3-4_4.13.3-1.1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-thread1.90.0 amd64 1.90.0-6 [255 kB] Fetched 255 kB in 0s (4431 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqgesnqcq/libboost-thread1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libkeyutils1 amd64 1.6.3-6+b2 [9348 B] Fetched 9348 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpapmvrofg/libkeyutils1_1.6.3-6+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-commonmark all 0.9.1-8 [45.5 kB] Fetched 45.5 kB in 0s (2250 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzj1t28ju/python3-commonmark_0.9.1-8_all.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libctf-nobfd0 amd64 2.46.90.20260712-1 [160 kB] Fetched 160 kB in 2s (91.9 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_1clgsha/libctf-nobfd0_2.46.90.20260712-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 debianutils amd64 5.23.2 [92.4 kB] Fetched 92.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpz1bol7tt/debianutils_5.23.2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 dpkg amd64 1.23.7 [1531 kB] Fetched 1531 kB in 0s (107 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8fpqjf7d/dpkg_1.23.7_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 pkgconf amd64 2.5.1-4 [33.6 kB] Fetched 33.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpk3045088/pkgconf_2.5.1-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 man-db amd64 2.13.1-1 [1469 kB] Fetched 1469 kB in 0s (103 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmps_n0obn8/man-db_2.13.1-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libjson-perl all 4.10000-1 [87.5 kB] Fetched 87.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnrfq76tk/libjson-perl_4.10000-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-program-options1.90.0 amd64 1.90.0-6 [339 kB] Fetched 339 kB in 0s (5965 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpj0ft0g76/libboost-program-options1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 fontconfig-config amd64 2.17.1-5 [56.1 kB] Fetched 56.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp43tds4gg/fontconfig-config_2.17.1-5_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libstdc++6 amd64 16.1.0-3 [822 kB] Fetched 822 kB in 0s (73.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8smot0q3/libstdc++6_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libc-dev-bin amd64 2.42-17 [38.1 kB] Fetched 38.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpt47yn3w4/libc-dev-bin_2.42-17_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmount-dev amd64 2.42.2-2 [26.7 kB] Fetched 26.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp776t0ver/libmount-dev_2.42.2-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpython3.14-minimal amd64 3.14.6-1 [896 kB] Fetched 896 kB in 0s (78.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1yuhq2qw/libpython3.14-minimal_3.14.6-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 perl-modules-5.42 all 5.42.2-3 [3210 kB] Fetched 3210 kB in 0s (132 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpk0z6tnby/perl-modules-5.42_5.42.2-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 postgresql-client-18 amd64 18.4-1+b2 [2120 kB] Fetched 2120 kB in 0s (19.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7jyqrmhz/postgresql-client-18_18.4-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 gcc-15-base amd64 15.3.0-2 [37.7 kB] Fetched 37.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmps9stozbk/gcc-15-base_15.3.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcommons-logging-java all 1.3.0-2 [68.6 kB] Fetched 68.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpigl0z9au/libcommons-logging-java_1.3.0-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 systemd amd64 261.2-1 [3329 kB] Fetched 3329 kB in 0s (139 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg751t05n/systemd_261.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-test1.90-dev amd64 1.90.0-6 [533 kB] Fetched 533 kB in 0s (11.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4e6h_5xg/libboost-test1.90-dev_1.90.0-6_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libgirepository-2.0-0 amd64 2.88.2-1 [127 kB] Fetched 127 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprbtpkgdw/libgirepository-2.0-0_2.88.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libobjc4 amd64 16.1.0-3 [45.2 kB] Fetched 45.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpocl1d1er/libobjc4_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 x11-common all 1:7.7+26 [217 kB] Fetched 217 kB in 0s (0 B/s) dpkg-name: info: moved 'x11-common_1%3a7.7+26_all.deb' to '/srv/rebuilderd/tmp/tmpsyrw0pga/x11-common_7.7+26_all.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 gcc amd64 4:15.2.0-5+b1 [5160 B] Fetched 5160 B in 0s (0 B/s) dpkg-name: info: moved 'gcc_4%3a15.2.0-5+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmpd_wp2dqs/gcc_15.2.0-5+b1_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 binutils-x86-64-linux-gnu amd64 2.46.90.20260712-1 [1078 kB] Fetched 1078 kB in 19s (56.3 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_em2vyrg/binutils-x86-64-linux-gnu_2.46.90.20260712-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libtool all 2.5.4-11 [539 kB] Fetched 539 kB in 0s (50.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpy8x_cr16/libtool_2.5.4-11_all.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 gcc-x86-64-linux-gnu amd64 4:15.2.0-5+b1 [1440 B] Fetched 1440 B in 0s (0 B/s) dpkg-name: info: moved 'gcc-x86-64-linux-gnu_4%3a15.2.0-5+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmphz7n4w9g/gcc-x86-64-linux-gnu_15.2.0-5+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxcb-render0-dev amd64 1.17.0-2+b2 [118 kB] Fetched 118 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv9e087n0/libxcb-render0-dev_1.17.0-2+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libitm1 amd64 16.1.0-3 [27.0 kB] Fetched 27.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe99ghymr/libitm1_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcap2 amd64 1:2.78-1 [26.9 kB] Fetched 26.9 kB in 0s (0 B/s) dpkg-name: info: moved 'libcap2_1%3a2.78-1_amd64.deb' to '/srv/rebuilderd/tmp/tmp4jpdtvrf/libcap2_2.78-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpixman-1-dev amd64 0.46.4-1+b2 [12.0 kB] Fetched 12.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp07euglao/libpixman-1-dev_0.46.4-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libisl23 amd64 0.28-1 [667 kB] Fetched 667 kB in 0s (60.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9xl8o14i/libisl23_0.28-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libdebhelper-perl all 14.3 [77.3 kB] Fetched 77.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb06taz1r/libdebhelper-perl_14.3_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libc-gconv-modules-extra amd64 2.42-17 [1097 kB] Fetched 1097 kB in 0s (88.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1casupn1/libc-gconv-modules-extra_2.42-17_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libraw25 amd64 0.22.1-1 [424 kB] Fetched 424 kB in 0s (1933 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo6yketv4/libraw25_0.22.1-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-typing-extensions all 4.16.0-4 [95.2 kB] Fetched 95.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo1c3ihkf/python3-typing-extensions_4.16.0-4_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libbsd0 amd64 0.12.2-3 [132 kB] Fetched 132 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpi90f0tub/libbsd0_0.12.2-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpam0g amd64 1.7.0-8 [66.9 kB] Fetched 66.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpih7g2bpi/libpam0g_1.7.0-8_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 bsdextrautils amd64 2.42.2-2 [99.8 kB] Fetched 99.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxd7gotux/bsdextrautils_2.42.2-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 coreutils amd64 9.10-1 [3142 kB] Fetched 3142 kB in 0s (142 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp96pe3_az/coreutils_9.10-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libbz2-dev amd64 1.0.8-6+b2 [33.6 kB] Fetched 33.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpllqwh8fh/libbz2-dev_1.0.8-6+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 liblsan0 amd64 16.1.0-3 [1280 kB] Fetched 1280 kB in 0s (69.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv6wx1qcn/liblsan0_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxext6 amd64 2:1.3.4-1+b4 [50.7 kB] Fetched 50.7 kB in 0s (0 B/s) dpkg-name: info: moved 'libxext6_2%3a1.3.4-1+b4_amd64.deb' to '/srv/rebuilderd/tmp/tmpuuqty780/libxext6_1.3.4-1+b4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 ncurses-bin amd64 6.6+20260608-2 [445 kB] Fetched 445 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpa22ihvhc/ncurses-bin_6.6+20260608-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 autoconf all 2.73-2 [516 kB] Fetched 516 kB in 0s (50.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprgw6mpgh/autoconf_2.73-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libio-pty-perl amd64 1:1.31-1+b1 [38.4 kB] Fetched 38.4 kB in 0s (0 B/s) dpkg-name: info: moved 'libio-pty-perl_1%3a1.31-1+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmp265kwue7/libio-pty-perl_1.31-1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libtinfo6 amd64 6.6+20260608-2 [353 kB] Fetched 353 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgtacixls/libtinfo6_6.6+20260608-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 t1utils amd64 1.41-4 [62.1 kB] Fetched 62.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvexyn1np/t1utils_1.41-4_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libzstd1 amd64 1.5.7+dfsg-3+b2 [305 kB] Fetched 305 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp618ozvlm/libzstd1_1.5.7+dfsg-3+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 librsvg2-2 amd64 2.62.1+dfsg-1 [1828 kB] Fetched 1828 kB in 0s (102 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpypfclix4/librsvg2-2_2.62.1+dfsg-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsysprof-capture-4-dev amd64 50.0-3 [47.8 kB] Fetched 47.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphfrudue8/libsysprof-capture-4-dev_50.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libtsan2 amd64 16.1.0-3 [2573 kB] Fetched 2573 kB in 0s (129 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmhexu47m/libtsan2_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpq5 amd64 18.4-1+b2 [260 kB] Fetched 260 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgb2inhn5/libpq5_18.4-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxdmcp6 amd64 1:1.1.5-2+b1 [28.2 kB] Fetched 28.2 kB in 0s (0 B/s) dpkg-name: info: moved 'libxdmcp6_1%3a1.1.5-2+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmp3ble_oe6/libxdmcp6_1.1.5-2+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-chrono1.90.0 amd64 1.90.0-6 [232 kB] Fetched 232 kB in 0s (5714 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpu4a06zzg/libboost-chrono1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libselinux-dev amd64 3.11-2 [173 kB] Fetched 173 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpr5iamv8a/libselinux-dev_3.11-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libhwasan0 amd64 16.1.0-3 [1580 kB] Fetched 1580 kB in 0s (106 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqhchgli0/libhwasan0_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpango-1.0-0 amd64 1.58.0-1 [225 kB] Fetched 225 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpq7ar0hxz/libpango-1.0-0_1.58.0-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libopenjp2-7 amd64 2.5.4-1.1 [205 kB] Fetched 205 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqkl54g0r/libopenjp2-7_2.5.4-1.1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsasl2-2 amd64 2.1.28+dfsg1-11 [55.2 kB] Fetched 55.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpklogaslf/libsasl2-2_2.1.28+dfsg1-11_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 openssl amd64 3.6.3-1 [1522 kB] Fetched 1522 kB in 0s (103 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyt4zjznd/openssl_3.6.3-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 liblua5.4-0 amd64 5.4.8-2 [148 kB] Fetched 148 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpll685z81/liblua5.4-0_5.4.8-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-yaml amd64 6.0.3-1 [186 kB] Fetched 186 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmr8kwjdd/python3-yaml_6.0.3-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpixman-1-0 amd64 0.46.4-1+b2 [259 kB] Fetched 259 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3n_nklgd/libpixman-1-0_0.46.4-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libfreetype-dev amd64 2.14.3+dfsg-2 [663 kB] Fetched 663 kB in 0s (60.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9sao_n7v/libfreetype-dev_2.14.3+dfsg-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-greenlet amd64 3.3.2-4 [192 kB] Fetched 192 kB in 0s (559 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_9wpqsdn/python3-greenlet_3.3.2-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libicu78 amd64 78.3-2 [10.0 MB] Fetched 10.0 MB in 0s (172 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpatc1hafc/libicu78_78.3-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 zlib1g amd64 1:1.3.dfsg+really1.3.2-3 [90.9 kB] Fetched 90.9 kB in 0s (0 B/s) dpkg-name: info: moved 'zlib1g_1%3a1.3.dfsg+really1.3.2-3_amd64.deb' to '/srv/rebuilderd/tmp/tmprfsyg2hz/zlib1g_1.3.dfsg+really1.3.2-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-numpy-dev amd64 1:2.4.6+ds-4 [137 kB] Fetched 137 kB in 0s (0 B/s) dpkg-name: info: moved 'python3-numpy-dev_1%3a2.4.6+ds-4_amd64.deb' to '/srv/rebuilderd/tmp/tmp5ymox79l/python3-numpy-dev_2.4.6+ds-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-graph1.90.0 amd64 1.90.0-6 [355 kB] Fetched 355 kB in 0s (7457 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfqx2b5oh/libboost-graph1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libacl1 amd64 2.4.0-1 [37.1 kB] Fetched 37.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxqp2ykaq/libacl1_2.4.0-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcoordgen3 amd64 3.0.2-4 [214 kB] Fetched 214 kB in 0s (6954 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptgv56hm3/libcoordgen3_3.0.2-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 sysvinit-utils amd64 3.18-1 [29.7 kB] Fetched 29.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_x8s_e_r/sysvinit-utils_3.18-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 clang-21 amd64 1:21.1.8-10 [139 kB] Fetched 139 kB in 0s (0 B/s) dpkg-name: info: moved 'clang-21_1%3a21.1.8-10_amd64.deb' to '/srv/rebuilderd/tmp/tmp62h086br/clang-21_21.1.8-10_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxext-dev amd64 2:1.3.4-1+b4 [105 kB] Fetched 105 kB in 0s (0 B/s) dpkg-name: info: moved 'libxext-dev_2%3a1.3.4-1+b4_amd64.deb' to '/srv/rebuilderd/tmp/tmppnchdtap/libxext-dev_1.3.4-1+b4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgdbm6t64 amd64 1.26-1+b2 [77.7 kB] Fetched 77.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2pm5y552/libgdbm6t64_1.26-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 readline-common all 8.3-4 [74.8 kB] Fetched 74.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg44581cx/readline-common_8.3-4_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 xtrans-dev all 1.6.0-1 [93.5 kB] Fetched 93.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8_fylre5/xtrans-dev_1.6.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libinchi1.07 amd64 1.07.3+dfsg-2 [556 kB] Fetched 556 kB in 0s (4143 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp99wiyltv/libinchi1.07_1.07.3+dfsg-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libubsan1 amd64 16.1.0-3 [1136 kB] Fetched 1136 kB in 0s (84.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqufcw011/libubsan1_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 sphinx-common all 9.1.0-6 [700 kB] Fetched 700 kB in 0s (66.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpq0jje_if/sphinx-common_9.1.0-6_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 media-types all 14.0.0 [30.8 kB] Fetched 30.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnmarsnnd/media-types_14.0.0_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libjsoncpp26 amd64 1.9.8-2 [87.5 kB] Fetched 87.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg5dpmgby/libjsoncpp26_1.9.8-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgdk-pixbuf-2.0-0 amd64 2.44.7+dfsg-1 [96.4 kB] Fetched 96.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp49ziz__d/libgdk-pixbuf-2.0-0_2.44.7+dfsg-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Fetched 104 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbjcmf6gn/libarchive-zip-perl_1.68-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmaeparser1 amd64 1.3.3-4+b1 [95.1 kB] Fetched 95.1 kB in 0s (2624 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdrqsbblu/libmaeparser1_1.3.3-4+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-test1.90.0 amd64 1.90.0-6 [465 kB] Fetched 465 kB in 0s (9861 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmperpehmm7/libboost-test1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-serialization1.90.0 amd64 1.90.0-6 [326 kB] Fetched 326 kB in 0s (11.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuwlepemj/libboost-serialization1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libwebpdemux2 amd64 1.5.0-0.1+b2 [113 kB] Fetched 113 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5v071z46/libwebpdemux2_1.5.0-0.1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libx11-data all 2:1.8.13-1 [346 kB] Fetched 346 kB in 0s (0 B/s) dpkg-name: info: moved 'libx11-data_2%3a1.8.13-1_all.deb' to '/srv/rebuilderd/tmp/tmpetdw6ilp/libx11-data_1.8.13-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libkrb5-3 amd64 1.22.1-3 [335 kB] Fetched 335 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6ed7sak0/libkrb5-3_1.22.1-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 hostname amd64 3.25 [11.0 kB] Fetched 11.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp95994ura/hostname_3.25_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 binutils-common amd64 2.46.90.20260712-1 [2636 kB] Fetched 2636 kB in 0s (19.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpd_uoiw1p/binutils-common_2.46.90.20260712-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 grep amd64 3.12-1 [443 kB] Fetched 443 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphl8qp_w5/grep_3.12-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libselinux1 amd64 3.11-2 [87.3 kB] Fetched 87.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3_sek1u6/libselinux1_3.11-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpfm4 amd64 4.13.0+git106-g3e4031b-1+b2 [371 kB] Fetched 371 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuw1bxz2n/libpfm4_4.13.0+git106-g3e4031b-1+b2_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 cpp-x86-64-linux-gnu amd64 4:15.2.0-5+b1 [4644 B] Fetched 4644 B in 0s (0 B/s) dpkg-name: info: moved 'cpp-x86-64-linux-gnu_4%3a15.2.0-5+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmp07wdbw3s/cpp-x86-64-linux-gnu_15.2.0-5+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxcb-render0 amd64 1.17.0-2+b2 [115 kB] Fetched 115 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpai47hb2g/libxcb-render0_1.17.0-2+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpython3-stdlib amd64 3.14.6-1 [8108 B] Fetched 8108 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg7sv9vkj/libpython3-stdlib_3.14.6-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 glycin-thumbnailers amd64 2.1.5+ds-2 [215 kB] Fetched 215 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_h6bi0og/glycin-thumbnailers_2.1.5+ds-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libffi-dev amd64 3.7.1-2 [73.4 kB] Fetched 73.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_jc6vyom/libffi-dev_3.7.1-2_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libglib2.0-0t64 amd64 2.88.2-1 [1536 kB] Fetched 1536 kB in 0s (108 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp44s9s256/libglib2.0-0t64_2.88.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-chardet all 5.2.0+dfsg-2 [108 kB] Fetched 108 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqm61nasi/python3-chardet_5.2.0+dfsg-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 netbase all 6.5 [12.4 kB] Fetched 12.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzcu8f2gb/netbase_6.5_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 openssl-provider-legacy amd64 3.6.3-1 [320 kB] Fetched 320 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl4qiazb8/openssl-provider-legacy_3.6.3-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 texlive-latex-recommended all 2026.20260711-2 [8454 kB] Fetched 8454 kB in 0s (178 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpng4rdrft/texlive-latex-recommended_2026.20260711-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcc1-0 amd64 16.1.0-3 [46.0 kB] Fetched 46.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuaj90fiw/libcc1-0_16.1.0-3_amd64.deb' Downloading dependency 128 of 512: libgdbm-compat4t64:amd64=1.26-1+b2 Downloading dependency 129 of 512: python3-pygments:amd64=2.20.0+dfsg-2 Downloading dependency 130 of 512: libheif-plugin-dav1d:amd64=1.23.1-1 Downloading dependency 131 of 512: libcurl4t64:amd64=8.21.0-2 Downloading dependency 132 of 512: liblzo2-2:amd64=2.10-3+b2 Downloading dependency 133 of 512: groff-base:amd64=1.24.1-1 Downloading dependency 134 of 512: libmagic1t64:amd64=1:5.47-4 Downloading dependency 135 of 512: texlive-base:amd64=2026.20260711-2 Downloading dependency 136 of 512: libx11-6:amd64=2:1.8.13-1 Downloading dependency 137 of 512: uuid-dev:amd64=2.42.2-2 Downloading dependency 138 of 512: libglib2.0-data:amd64=2.88.2-1 Downloading dependency 139 of 512: python3-myst-parser:amd64=5.1.0-2 Downloading dependency 140 of 512: flex:amd64=2.6.4-8.2+b5 Downloading dependency 141 of 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dependency 203 of 512: libpango-1.0-0:amd64=1.58.0-1 Downloading dependency 204 of 512: libopenjp2-7:amd64=2.5.4-1.1 Downloading dependency 205 of 512: libsasl2-2:amd64=2.1.28+dfsg1-11 Downloading dependency 206 of 512: openssl:amd64=3.6.3-1 Downloading dependency 207 of 512: liblua5.4-0:amd64=5.4.8-2 Downloading dependency 208 of 512: python3-yaml:amd64=6.0.3-1 Downloading dependency 209 of 512: libpixman-1-0:amd64=0.46.4-1+b2 Downloading dependency 210 of 512: libfreetype-dev:amd64=2.14.3+dfsg-2 Downloading dependency 211 of 512: python3-greenlet:amd64=3.3.2-4 Downloading dependency 212 of 512: libicu78:amd64=78.3-2 Downloading dependency 213 of 512: zlib1g:amd64=1:1.3.dfsg+really1.3.2-3 Downloading dependency 214 of 512: python3-numpy-dev:amd64=1:2.4.6+ds-4 Downloading dependency 215 of 512: libboost-graph1.90.0:amd64=1.90.0-6 Downloading dependency 216 of 512: libacl1:amd64=2.4.0-1 Downloading dependency 217 of 512: libcoordgen3:amd64=3.0.2-4 Downloading dependency 218 of 512: sysvinit-utils:amd64=3.18-1 Downloading dependency 219 of 512: clang-21:amd64=1:21.1.8-10 Downloading dependency 220 of 512: libxext-dev:amd64=2:1.3.4-1+b4 Downloading dependency 221 of 512: libgdbm6t64:amd64=1.26-1+b2 Downloading dependency 222 of 512: readline-common:amd64=8.3-4 Downloading dependency 223 of 512: xtrans-dev:amd64=1.6.0-1 Downloading dependency 224 of 512: libinchi1.07:amd64=1.07.3+dfsg-2 Downloading dependency 225 of 512: libubsan1:amd64=16.1.0-3 Downloading dependency 226 of 512: sphinx-common:amd64=9.1.0-6 Downloading dependency 227 of 512: media-types:amd64=14.0.0 Downloading dependency 228 of 512: libjsoncpp26:amd64=1.9.8-2 Downloading dependency 229 of 512: libgdk-pixbuf-2.0-0:amd64=2.44.7+dfsg-1 Downloading dependency 230 of 512: libarchive-zip-perl:amd64=1.68-1 Downloading dependency 231 of 512: libmaeparser1:amd64=1.3.3-4+b1 Downloading dependency 232 of 512: libboost-test1.90.0:amd64=1.90.0-6 Downloading dependency 233 of 512: libboost-serialization1.90.0:amd64=1.90.0-6 Downloading dependency 234 of 512: libwebpdemux2:amd64=1.5.0-0.1+b2 Downloading dependency 235 of 512: libx11-data:amd64=2:1.8.13-1 Downloading dependency 236 of 512: libkrb5-3:amd64=1.22.1-3 Downloading dependency 237 of 512: hostname:amd64=3.25 Downloading dependency 238 of 512: binutils-common:amd64=2.46.90.20260712-1 Downloading dependency 239 of 512: grep:amd64=3.12-1 Downloading dependency 240 of 512: libselinux1:amd64=3.11-2 Downloading dependency 241 of 512: libpfm4:amd64=4.13.0+git106-g3e4031b-1+b2 Downloading dependency 242 of 512: cpp-x86-64-linux-gnu:amd64=4:15.2.0-5+b1 Downloading dependency 243 of 512: libxcb-render0:amd64=1.17.0-2+b2 Downloading dependency 244 of 512: libpython3-stdlib:amd64=3.14.6-1 Downloading dependency 245 of 512: glycin-thumbnailers:amd64=2.1.5+ds-2 Downloading dependency 246 of 512: libffi-dev:amd64=3.7.1-2 Downloading dependency 247 of 512: libglib2.0-0t64:amd64=2.88.2-1 Downloading dependency 248 of 512: python3-chardet:amd64=5.2.0+dfsg-2 Downloading dependency 249 of 512: netbase:amd64=6.5 Downloading dependency 250 of 512: openssl-provider-legacy:amd64=3.6.3-1 Downloading dependency 251 of 512: texlive-latex-recommended:amd64=2026.20260711-2 Downloading dependency 252 of 512: libcc1-0:amd64=16.1.0-3 Downloading dependency 253 of 512: libobjc-15-dev:amd64=15.3.0-2Get:1 http://deb.debian.org/debian unstable/main amd64 libobjc-15-dev amd64 15.3.0-2 [173 kB] Fetched 173 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqg4s_4lw/libobjc-15-dev_15.3.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libuchardet0 amd64 0.0.8-2+b2 [69.0 kB] Fetched 69.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7jtwvkro/libuchardet0_0.0.8-2+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libc6 amd64 2.42-17 [1790 kB] Fetched 1790 kB in 0s (115 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptv6ehhzr/libc6_2.42-17_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libgio-2.0-dev-bin amd64 2.88.2-1 [151 kB] Fetched 151 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp__5g_s85/libgio-2.0-dev-bin_2.88.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmount1 amd64 2.42.2-2 [215 kB] Fetched 215 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwhz4n6h_/libmount1_2.42.2-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-alabaster all 1.0.0-1 [20.4 kB] Fetched 20.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8b43a92n/python3-alabaster_1.0.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libfile-stripnondeterminism-perl all 1.15.1-1 [17.1 kB] Fetched 17.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpp5btq5zg/libfile-stripnondeterminism-perl_1.15.1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-uc-micro all 2.0.0-1 [6028 B] Fetched 6028 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2lfv2jwv/python3-uc-micro_2.0.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libngtcp2-16 amd64 1.24.0-1 [145 kB] Fetched 145 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpypj_v2de/libngtcp2-16_1.24.0-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 init-system-helpers all 1.69 [39.3 kB] Fetched 39.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuby4rroy/init-system-helpers_1.69_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libncursesw6 amd64 6.6+20260608-2 [137 kB] Fetched 137 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0nlk9erd/libncursesw6_6.6+20260608-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libabsl20260526 amd64 20260526.0-2 [563 kB] Fetched 563 kB in 0s (50.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptydrzvrt/libabsl20260526_20260526.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-chrono1.90-dev amd64 1.90.0-6 [237 kB] Fetched 237 kB in 0s (3306 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbyiax8xz/libboost-chrono1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-container1.90-dev amd64 1.90.0-6 [257 kB] Fetched 257 kB in 0s (4070 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuk6ciswr/libboost-container1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-snowballstemmer all 3.1.1-1 [61.9 kB] Fetched 61.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpc9gg6atw/python3-snowballstemmer_3.1.1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsm-dev amd64 2:1.2.6-1+b2 [40.3 kB] Fetched 40.3 kB in 0s (0 B/s) dpkg-name: info: moved 'libsm-dev_2%3a1.2.6-1+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmpxab09raq/libsm-dev_1.2.6-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 sgml-base all 1.31+nmu1 [10.9 kB] Fetched 10.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3emt7zsb/sgml-base_1.31+nmu1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 texlive-binaries amd64 2026.20260303.78225+ds-4 [9244 kB] Fetched 9244 kB in 0s (177 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcl3uzz8c/texlive-binaries_2026.20260303.78225+ds-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcoordgen-dev amd64 3.0.2-4 [45.8 kB] Fetched 45.8 kB in 0s (1587 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfwi54da1/libcoordgen-dev_3.0.2-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 sed amd64 4.9-3 [331 kB] Fetched 331 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpaio64vxc/sed_4.9-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxcb1 amd64 1.17.0-2+b2 [144 kB] Fetched 144 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_pnjsx3q/libxcb1_1.17.0-2+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-roman-numerals all 4.1.0-1 [9196 B] Fetched 9196 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwv06qiam/python3-roman-numerals_4.1.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libthai-data all 0.1.30-3 [172 kB] Fetched 172 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0ztsvw52/libthai-data_0.1.30-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxrender1 amd64 1:0.9.12-1+b2 [27.7 kB] Fetched 27.7 kB in 0s (0 B/s) dpkg-name: info: moved 'libxrender1_1%3a0.9.12-1+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmp0twpx13e/libxrender1_0.9.12-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsmartcols1 amd64 2.42.2-2 [145 kB] Fetched 145 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp90qzj1ye/libsmartcols1_2.42.2-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 docutils-common all 0.22.4+dfsg-1 [128 kB] Fetched 128 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo3hjqtb6/docutils-common_0.22.4+dfsg-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libldap2 amd64 2.6.13+dfsg-1+b1 [189 kB] Fetched 189 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzzfb86_t/libldap2_2.6.13+dfsg-1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libspdlog1.15 amd64 1:1.15.3+ds-1+b2 [107 kB] Fetched 107 kB in 0s (0 B/s) dpkg-name: info: moved 'libspdlog1.15_1%3a1.15.3+ds-1+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmpjjn6548z/libspdlog1.15_1.15.3+ds-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgssapi-krb5-2 amd64 1.22.1-3 [137 kB] Fetched 137 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfnyep98l/libgssapi-krb5-2_1.22.1-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxxhash0 amd64 0.8.3-2+b2 [27.1 kB] Fetched 27.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpexxcpge4/libxxhash0_0.8.3-2+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-pluggy all 1.6.0-2 [27.2 kB] Fetched 27.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptyr68k2s/python3-pluggy_1.6.0-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgdk-pixbuf2.0-common all 2.44.7+dfsg-1 [316 kB] Fetched 316 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpa4iz7mpi/libgdk-pixbuf2.0-common_2.44.7+dfsg-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libipc-run-perl all 20260402.0-1 [112 kB] Fetched 112 kB in 0s (1916 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbn4_r59i/libipc-run-perl_20260402.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 sensible-utils all 0.0.26 [27.0 kB] Fetched 27.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv4_px49i/sensible-utils_0.0.26_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpng16-16t64 amd64 1.6.58-1 [289 kB] Fetched 289 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpoxfnmrbu/libpng16-16t64_1.6.58-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 cmake amd64 4.3.4-1 [16.2 MB] Fetched 16.2 MB in 0s (193 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpz7b2prw3/cmake_4.3.4-1_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libgio-2.0-dev amd64 2.88.2-1 [1695 kB] Fetched 1695 kB in 0s (110 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9aer_qtl/libgio-2.0-dev_2.88.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 llvm-21-dev amd64 1:21.1.8-10 [47.4 MB] Fetched 47.4 MB in 0s (197 MB/s) dpkg-name: info: moved 'llvm-21-dev_1%3a21.1.8-10_amd64.deb' to '/srv/rebuilderd/tmp/tmph6capzt0/llvm-21-dev_21.1.8-10_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-urllib3 all 2.7.0-3 [119 kB] Fetched 119 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp80lxqsmc/python3-urllib3_2.7.0-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 catch2 all 3.7.1-0.6 [5216 B] Fetched 5216 B in 0s (67.3 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyejyikmp/catch2_3.7.1-0.6_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 postgresql-server-dev-18 amd64 18.4-1+b2 [1400 kB] Fetched 1400 kB in 0s (11.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpf257wq72/postgresql-server-dev-18_18.4-1+b2_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libglib2.0-dev-bin amd64 2.88.2-1 [37.6 kB] Fetched 37.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpj07zqbpg/libglib2.0-dev-bin_2.88.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpcre2-16-0 amd64 10.46-1+b2 [280 kB] Fetched 280 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpr55orb99/libpcre2-16-0_10.46-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-regex-dev amd64 1.90.0.2 [3124 B] Fetched 3124 B in 0s (175 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplzc84kex/libboost-regex-dev_1.90.0.2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-mdurl all 0.1.2-1 [9444 B] Fetched 9444 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp50n4fdvj/python3-mdurl_0.1.2-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libglycin-2-0 amd64 2.1.5+ds-2 [1393 kB] Fetched 1393 kB in 0s (99.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzjnll5so/libglycin-2-0_2.1.5+ds-2_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libbinutils amd64 2.46.90.20260712-1 [537 kB] Fetched 537 kB in 0s (17.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbjabj1_b/libbinutils_2.46.90.20260712-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libice6 amd64 2:1.1.1-1+b2 [66.8 kB] Fetched 66.8 kB in 0s (0 B/s) dpkg-name: info: moved 'libice6_2%3a1.1.1-1+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmpo48ilidf/libice6_1.1.1-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libstdc++-15-dev amd64 15.3.0-2 [2784 kB] Fetched 2784 kB in 0s (131 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxf4q7brr/libstdc++-15-dev_15.3.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libnghttp3-9 amd64 1.17.0-1 [68.1 kB] Fetched 68.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuyqbono9/libnghttp3-9_1.17.0-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-docutils all 0.22.4+dfsg-1 [433 kB] Fetched 433 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqfhwaw9o/python3-docutils_0.22.4+dfsg-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgav1-2 amd64 0.20.0-2+b2 [372 kB] Fetched 372 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpm9eltn_e/libgav1-2_0.20.0-2+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 postgresql-common all 293 [106 kB] Fetched 106 kB in 0s (2315 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpsttpez48/postgresql-common_293_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 bison amd64 2:3.8.2+dfsg-1+b3 [1170 kB] Fetched 1170 kB in 0s (90.6 MB/s) dpkg-name: info: moved 'bison_2%3a3.8.2+dfsg-1+b3_amd64.deb' to '/srv/rebuilderd/tmp/tmpzs5j7k5m/bison_3.8.2+dfsg-1+b3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 bash amd64 5.3-3 [1559 kB] Fetched 1559 kB in 0s (98.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpr64742j7/bash_5.3-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 hicolor-icon-theme all 0.18-2 [11.8 kB] Fetched 11.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplrdf_59_/hicolor-icon-theme_0.18-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3.14-dev amd64 3.14.6-1 [507 kB] Fetched 507 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpacdbab3s/python3.14-dev_3.14.6-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libffi8 amd64 3.7.1-2 [30.5 kB] Fetched 30.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8atz9fit/libffi8_3.7.1-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libz3-dev amd64 4.13.3-1.1 [105 kB] Fetched 105 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpu0k3wjqm/libz3-dev_4.13.3-1.1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 autotools-dev all 20240727.1+nmu1 [60.0 kB] Fetched 60.0 kB in 0s (5466 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyhsi1jeo/autotools-dev_20240727.1+nmu1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 file amd64 1:5.47-4 [43.0 kB] Fetched 43.0 kB in 0s (0 B/s) dpkg-name: info: moved 'file_1%3a5.47-4_amd64.deb' to '/srv/rebuilderd/tmp/tmpav8ebuqe/file_5.47-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 diffutils amd64 1:3.12-1 [405 kB] Fetched 405 kB in 0s (0 B/s) dpkg-name: info: moved 'diffutils_1%3a3.12-1_amd64.deb' to '/srv/rebuilderd/tmp/tmpllysn4bo/diffutils_3.12-1_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libaom3 amd64 3.13.1-2+b1 [1904 kB] Fetched 1904 kB in 0s (14.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpne0srbss/libaom3_3.13.1-2+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmpc3 amd64 1.3.1-3 [52.2 kB] Fetched 52.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpsryg4gcs/libmpc3_1.3.1-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 dh-autoreconf all 22 [12.2 kB] Fetched 12.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyzp2elxq/dh-autoreconf_22_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libunistring5 amd64 1.4.2-1 [480 kB] Fetched 480 kB in 0s (46.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpui00wagl/libunistring5_1.4.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcairo2 amd64 1.18.4-3+b1 [543 kB] Fetched 543 kB in 0s (52.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1ujowxh1/libcairo2_1.18.4-3+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 autopoint all 1.0-3 [820 kB] Fetched 820 kB in 0s (75.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpq6h97uby/autopoint_1.0-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libreadline8t64 amd64 8.3-4 [181 kB] Fetched 181 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp28jure18/libreadline8t64_8.3-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmpfi0 amd64 1.5.4+ds-5 [36.0 kB] Fetched 36.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjy3id_fo/libmpfi0_1.5.4+ds-5_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxt6t64 amd64 1:1.2.1-1.3+b2 [191 kB] Fetched 191 kB in 0s (0 B/s) dpkg-name: info: moved 'libxt6t64_1%3a1.2.1-1.3+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmpp2aihxgs/libxt6t64_1.2.1-1.3+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libkpathsea6 amd64 2026.20260303.78225+ds-4 [158 kB] Fetched 158 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7beeowug/libkpathsea6_2026.20260303.78225+ds-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-core all 2.37-9 [840 kB] Fetched 840 kB in 0s (76.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpja2qcklc/fonts-dejavu-core_2.37-9_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libavif16 amd64 1.4.2-1 [147 kB] Fetched 147 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcb_xgjf3/libavif16_1.4.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-markupsafe amd64 3.0.3-1+b1 [14.3 kB] Fetched 14.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmps40te3zv/python3-markupsafe_3.0.3-1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-random1.90.0 amd64 1.90.0-6 [230 kB] Fetched 230 kB in 0s (5113 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv24vkihv/libboost-random1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpng-dev amd64 1.6.58-1 [372 kB] Fetched 372 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpp1jxzix_/libpng-dev_1.6.58-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-numpy amd64 1:2.4.6+ds-4 [7509 kB] Fetched 7509 kB in 0s (168 MB/s) dpkg-name: info: moved 'python3-numpy_1%3a2.4.6+ds-4_amd64.deb' to '/srv/rebuilderd/tmp/tmpwn4g10b6/python3-numpy_2.4.6+ds-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-dev amd64 1.90.0.2 [3064 B] Fetched 3064 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe33o052q/libboost-dev_1.90.0.2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libharfbuzz-subset0 amd64 12.3.2-2+b2 [574 kB] Fetched 574 kB in 0s (55.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppjf_do5r/libharfbuzz-subset0_12.3.2-2+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 x11proto-dev all 2025.1-1 [605 kB] Fetched 605 kB in 0s (58.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcgb6rpp7/x11proto-dev_2025.1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 xorg-sgml-doctools all 1:1.12.1-1 [23.9 kB] Fetched 23.9 kB in 0s (0 B/s) dpkg-name: info: moved 'xorg-sgml-doctools_1%3a1.12.1-1_all.deb' to '/srv/rebuilderd/tmp/tmp_kqp7cth/xorg-sgml-doctools_1.12.1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libapache-pom-java all 33-2 [5852 B] Fetched 5852 B in 0s (562 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvbd7fdm7/libapache-pom-java_33-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 base-files amd64 14.2 [88.0 kB] Fetched 88.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8xt0_yu9/base-files_14.2_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libgprofng0 amd64 2.46.90.20260712-1 [821 kB] Fetched 821 kB in 0s (14.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgg8ygsvy/libgprofng0_2.46.90.20260712-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-numpy1.90.0 amd64 1.90.0-6 [238 kB] Fetched 238 kB in 0s (3029 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmph70xtcw7/libboost-numpy1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libssl-dev amd64 3.6.3-1 [3025 kB] Fetched 3025 kB in 0s (125 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpr9665d2u/libssl-dev_3.6.3-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 texlive-fonts-recommended all 2026.20260711-2 [4991 kB] Fetched 4991 kB in 0s (160 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8m5o3jat/texlive-fonts-recommended_2026.20260711-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 automake all 1:1.18.1-4 [877 kB] Fetched 877 kB in 0s (78.7 MB/s) dpkg-name: info: moved 'automake_1%3a1.18.1-4_all.deb' to '/srv/rebuilderd/tmp/tmpu_h42ytj/automake_1.18.1-4_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libblas3 amd64 3.12.1-8 [206 kB] Fetched 206 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3fqn34ix/libblas3_3.12.1-8_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 dpkg-dev all 1.23.7 [1318 kB] Fetched 1318 kB in 0s (94.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3z7xz_kc/dpkg-dev_1.23.7_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 xml-core all 0.21 [19.0 kB] Fetched 19.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_b577m7y/xml-core_0.21_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 cpp-15 amd64 15.3.0-2 [1272 B] Fetched 1272 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpaffvqihz/cpp-15_15.3.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 ucf all 3.0056 [47.1 kB] Fetched 47.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4e5fi1hi/ucf_3.0056_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libthai0 amd64 0.1.30-3 [51.7 kB] Fetched 51.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg6wkzg3i/libthai0_0.1.30-3_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 ssl-cert all 1.1.3 [16.8 kB] Fetched 16.8 kB in 0s (520 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpk1fj_k5y/ssl-cert_1.1.3_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libyuv0 amd64 0.0.1949.20260706-1 [177 kB] Fetched 177 kB in 0s (17.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptv18w0ex/libyuv0_0.0.1949.20260706-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-defusedxml all 0.7.1-3 [43.4 kB] Fetched 43.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg80l8ewj/python3-defusedxml_0.7.1-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-pandas-lib amd64 2.3.3+dfsg-3+b1 [6581 kB] Fetched 6581 kB in 0s (170 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpz5ca7nvc/python3-pandas-lib_2.3.3+dfsg-3+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpython3-dev amd64 3.14.6-1 [8340 B] Fetched 8340 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp28ys6gve/libpython3-dev_3.14.6-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 xz-utils amd64 5.8.3-1 [740 kB] Fetched 740 kB in 0s (68.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpiwojsff5/xz-utils_5.8.3-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 g++-15 amd64 15.3.0-2 [29.0 kB] Fetched 29.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplki497ku/g++-15_15.3.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 dwz amd64 0.17-1 [109 kB] Fetched 109 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmps7wh6en7/dwz_0.17-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgfortran5 amd64 16.1.0-3 [878 kB] Fetched 878 kB in 0s (71.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfsgjgozp/libgfortran5_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxaw7 amd64 2:1.0.16-1+b2 [214 kB] Fetched 214 kB in 0s (0 B/s) dpkg-name: info: moved 'libxaw7_2%3a1.0.16-1+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmp12efxwtt/libxaw7_1.0.16-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libfontconfig-dev amd64 2.17.1-5 [155 kB] Fetched 155 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjv8fqrjd/libfontconfig-dev_2.17.1-5_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 rapidjson-dev all 1.1.0+dfsg2-7.6 [98.2 kB] Fetched 98.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1sai48s_/rapidjson-dev_1.1.0+dfsg2-7.6_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsemanage2 amd64 3.11-1 [93.2 kB] Fetched 93.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnxwykgux/libsemanage2_3.11-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 perl-base amd64 5.42.2-3 [1852 kB] Fetched 1852 kB in 0s (109 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4v4xu58n/perl-base_5.42.2-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libdeflate0 amd64 1.25-1 [48.0 kB] Fetched 48.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7l2tm6ot/libdeflate0_1.25-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libasan8 amd64 16.1.0-3 [2889 kB] Fetched 2889 kB in 0s (138 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpi4q57f80/libasan8_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgcc-s1 amd64 16.1.0-3 [74.1 kB] Fetched 74.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp28dnyg4f/libgcc-s1_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsasl2-modules-db amd64 2.1.28+dfsg1-11 [17.2 kB] Fetched 17.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7vfq5wal/libsasl2-modules-db_2.1.28+dfsg1-11_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libblkid-dev amd64 2.42.2-2 [212 kB] Fetched 212 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9pjsn_9x/libblkid-dev_2.42.2-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libtiff6 amd64 4.7.2-1 [383 kB] Fetched 383 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbmfqjs_3/libtiff6_4.7.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-babel all 2.17.0-2 [117 kB] Fetched 117 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpw4h_w8fu/python3-babel_2.17.0-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxml2-dev amd64 2.15.3+dfsg-1 [746 kB] Fetched 746 kB in 0s (67.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgda9__b_/libxml2-dev_2.15.3+dfsg-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpcre2-dev amd64 10.46-1+b2 [846 kB] Fetched 846 kB in 0s (73.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpximrhpii/libpcre2-dev_10.46-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libclang1-21 amd64 1:21.1.8-10 [7701 kB] Fetched 7701 kB in 0s (170 MB/s) dpkg-name: info: moved 'libclang1-21_1%3a21.1.8-10_amd64.deb' to '/srv/rebuilderd/tmp/tmp399bputj/libclang1-21_21.1.8-10_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsepol2 amd64 3.11-1 [307 kB] Fetched 307 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmph3_1pm4k/libsepol2_3.11-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpipeline1 amd64 1.5.8-3 [49.2 kB] Fetched 49.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptzeaux69/libpipeline1_1.5.8-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 texlive-latex-extra all 2026.20260711-2 [32.7 MB] Fetched 32.7 MB in 0s (126 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8nn11plq/texlive-latex-extra_2026.20260711-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 bubblewrap amd64 0.11.2-2 [49.7 kB] Fetched 49.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzi43gqbt/bubblewrap_0.11.2-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libelf1t64 amd64 0.195-1 [58.1 kB] Fetched 58.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2l16mepb/libelf1t64_0.195-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libnuma1 amd64 2.0.19-1+b2 [22.0 kB] Fetched 22.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpynx5vwcj/libnuma1_2.0.19-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libuuid1 amd64 2.42.2-2 [33.6 kB] Fetched 33.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpikfham5n/libuuid1_2.42.2-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libjbig0 amd64 2.1-6.1+b3 [32.2 kB] Fetched 32.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpk9avg_18/libjbig0_2.1-6.1+b3_amd64.deb' Downloading dependency 254 of 512: libuchardet0:amd64=0.0.8-2+b2 Downloading dependency 255 of 512: libc6:amd64=2.42-17 Downloading dependency 256 of 512: libgio-2.0-dev-bin:amd64=2.88.2-1 Downloading dependency 257 of 512: libmount1:amd64=2.42.2-2 Downloading dependency 258 of 512: python3-alabaster:amd64=1.0.0-1 Downloading dependency 259 of 512: libfile-stripnondeterminism-perl:amd64=1.15.1-1 Downloading dependency 260 of 512: python3-uc-micro:amd64=2.0.0-1 Downloading dependency 261 of 512: libngtcp2-16:amd64=1.24.0-1 Downloading dependency 262 of 512: init-system-helpers:amd64=1.69 Downloading dependency 263 of 512: libncursesw6:amd64=6.6+20260608-2 Downloading dependency 264 of 512: libabsl20260526:amd64=20260526.0-2 Downloading dependency 265 of 512: libboost-chrono1.90-dev:amd64=1.90.0-6 Downloading dependency 266 of 512: libboost-container1.90-dev:amd64=1.90.0-6 Downloading dependency 267 of 512: python3-snowballstemmer:amd64=3.1.1-1 Downloading dependency 268 of 512: libsm-dev:amd64=2:1.2.6-1+b2 Downloading dependency 269 of 512: sgml-base:amd64=1.31+nmu1 Downloading dependency 270 of 512: texlive-binaries:amd64=2026.20260303.78225+ds-4 Downloading dependency 271 of 512: libcoordgen-dev:amd64=3.0.2-4 Downloading dependency 272 of 512: sed:amd64=4.9-3 Downloading dependency 273 of 512: libxcb1:amd64=1.17.0-2+b2 Downloading dependency 274 of 512: python3-roman-numerals:amd64=4.1.0-1 Downloading dependency 275 of 512: libthai-data:amd64=0.1.30-3 Downloading dependency 276 of 512: libxrender1:amd64=1:0.9.12-1+b2 Downloading dependency 277 of 512: libsmartcols1:amd64=2.42.2-2 Downloading dependency 278 of 512: docutils-common:amd64=0.22.4+dfsg-1 Downloading dependency 279 of 512: libldap2:amd64=2.6.13+dfsg-1+b1 Downloading dependency 280 of 512: libspdlog1.15:amd64=1:1.15.3+ds-1+b2 Downloading dependency 281 of 512: libgssapi-krb5-2:amd64=1.22.1-3 Downloading dependency 282 of 512: libxxhash0:amd64=0.8.3-2+b2 Downloading dependency 283 of 512: python3-pluggy:amd64=1.6.0-2 Downloading dependency 284 of 512: libgdk-pixbuf2.0-common:amd64=2.44.7+dfsg-1 Downloading dependency 285 of 512: libipc-run-perl:amd64=20260402.0-1 Downloading dependency 286 of 512: sensible-utils:amd64=0.0.26 Downloading dependency 287 of 512: libpng16-16t64:amd64=1.6.58-1 Downloading dependency 288 of 512: cmake:amd64=4.3.4-1 Downloading dependency 289 of 512: libgio-2.0-dev:amd64=2.88.2-1 Downloading dependency 290 of 512: llvm-21-dev:amd64=1:21.1.8-10 Downloading dependency 291 of 512: python3-urllib3:amd64=2.7.0-3 Downloading dependency 292 of 512: catch2:amd64=3.7.1-0.6 Downloading dependency 293 of 512: postgresql-server-dev-18:amd64=18.4-1+b2 Downloading dependency 294 of 512: libglib2.0-dev-bin:amd64=2.88.2-1 Downloading dependency 295 of 512: libpcre2-16-0:amd64=10.46-1+b2 Downloading dependency 296 of 512: libboost-regex-dev:amd64=1.90.0.2 Downloading dependency 297 of 512: python3-mdurl:amd64=0.1.2-1 Downloading dependency 298 of 512: libglycin-2-0:amd64=2.1.5+ds-2 Downloading dependency 299 of 512: libbinutils:amd64=2.46.90.20260712-1 Downloading dependency 300 of 512: libice6:amd64=2:1.1.1-1+b2 Downloading dependency 301 of 512: libstdc++-15-dev:amd64=15.3.0-2 Downloading dependency 302 of 512: libnghttp3-9:amd64=1.17.0-1 Downloading dependency 303 of 512: python3-docutils:amd64=0.22.4+dfsg-1 Downloading dependency 304 of 512: libgav1-2:amd64=0.20.0-2+b2 Downloading dependency 305 of 512: postgresql-common:amd64=293 Downloading dependency 306 of 512: bison:amd64=2:3.8.2+dfsg-1+b3 Downloading dependency 307 of 512: bash:amd64=5.3-3 Downloading dependency 308 of 512: hicolor-icon-theme:amd64=0.18-2 Downloading dependency 309 of 512: python3.14-dev:amd64=3.14.6-1 Downloading dependency 310 of 512: libffi8:amd64=3.7.1-2 Downloading dependency 311 of 512: libz3-dev:amd64=4.13.3-1.1 Downloading dependency 312 of 512: autotools-dev:amd64=20240727.1+nmu1 Downloading dependency 313 of 512: file:amd64=1:5.47-4 Downloading dependency 314 of 512: diffutils:amd64=1:3.12-1 Downloading dependency 315 of 512: libaom3:amd64=3.13.1-2+b1 Downloading dependency 316 of 512: libmpc3:amd64=1.3.1-3 Downloading dependency 317 of 512: dh-autoreconf:amd64=22 Downloading dependency 318 of 512: libunistring5:amd64=1.4.2-1 Downloading dependency 319 of 512: libcairo2:amd64=1.18.4-3+b1 Downloading dependency 320 of 512: autopoint:amd64=1.0-3 Downloading dependency 321 of 512: libreadline8t64:amd64=8.3-4 Downloading dependency 322 of 512: libmpfi0:amd64=1.5.4+ds-5 Downloading dependency 323 of 512: libxt6t64:amd64=1:1.2.1-1.3+b2 Downloading dependency 324 of 512: libkpathsea6:amd64=2026.20260303.78225+ds-4 Downloading dependency 325 of 512: fonts-dejavu-core:amd64=2.37-9 Downloading dependency 326 of 512: libavif16:amd64=1.4.2-1 Downloading dependency 327 of 512: python3-markupsafe:amd64=3.0.3-1+b1 Downloading dependency 328 of 512: libboost-random1.90.0:amd64=1.90.0-6 Downloading dependency 329 of 512: libpng-dev:amd64=1.6.58-1 Downloading dependency 330 of 512: python3-numpy:amd64=1:2.4.6+ds-4 Downloading dependency 331 of 512: libboost-dev:amd64=1.90.0.2 Downloading dependency 332 of 512: libharfbuzz-subset0:amd64=12.3.2-2+b2 Downloading dependency 333 of 512: x11proto-dev:amd64=2025.1-1 Downloading dependency 334 of 512: xorg-sgml-doctools:amd64=1:1.12.1-1 Downloading dependency 335 of 512: libapache-pom-java:amd64=33-2 Downloading dependency 336 of 512: base-files:amd64=14.2 Downloading dependency 337 of 512: libgprofng0:amd64=2.46.90.20260712-1 Downloading dependency 338 of 512: libboost-numpy1.90.0:amd64=1.90.0-6 Downloading dependency 339 of 512: libssl-dev:amd64=3.6.3-1 Downloading dependency 340 of 512: texlive-fonts-recommended:amd64=2026.20260711-2 Downloading dependency 341 of 512: automake:amd64=1:1.18.1-4 Downloading dependency 342 of 512: libblas3:amd64=3.12.1-8 Downloading dependency 343 of 512: dpkg-dev:amd64=1.23.7 Downloading dependency 344 of 512: xml-core:amd64=0.21 Downloading dependency 345 of 512: cpp-15:amd64=15.3.0-2 Downloading dependency 346 of 512: ucf:amd64=3.0056 Downloading dependency 347 of 512: libthai0:amd64=0.1.30-3 Downloading dependency 348 of 512: ssl-cert:amd64=1.1.3 Downloading dependency 349 of 512: libyuv0:amd64=0.0.1949.20260706-1 Downloading dependency 350 of 512: python3-defusedxml:amd64=0.7.1-3 Downloading dependency 351 of 512: python3-pandas-lib:amd64=2.3.3+dfsg-3+b1 Downloading dependency 352 of 512: libpython3-dev:amd64=3.14.6-1 Downloading dependency 353 of 512: xz-utils:amd64=5.8.3-1 Downloading dependency 354 of 512: g++-15:amd64=15.3.0-2 Downloading dependency 355 of 512: dwz:amd64=0.17-1 Downloading dependency 356 of 512: libgfortran5:amd64=16.1.0-3 Downloading dependency 357 of 512: libxaw7:amd64=2:1.0.16-1+b2 Downloading dependency 358 of 512: libfontconfig-dev:amd64=2.17.1-5 Downloading dependency 359 of 512: rapidjson-dev:amd64=1.1.0+dfsg2-7.6 Downloading dependency 360 of 512: libsemanage2:amd64=3.11-1 Downloading dependency 361 of 512: perl-base:amd64=5.42.2-3 Downloading dependency 362 of 512: libdeflate0:amd64=1.25-1 Downloading dependency 363 of 512: libasan8:amd64=16.1.0-3 Downloading dependency 364 of 512: libgcc-s1:amd64=16.1.0-3 Downloading dependency 365 of 512: libsasl2-modules-db:amd64=2.1.28+dfsg1-11 Downloading dependency 366 of 512: libblkid-dev:amd64=2.42.2-2 Downloading dependency 367 of 512: libtiff6:amd64=4.7.2-1 Downloading dependency 368 of 512: python3-babel:amd64=2.17.0-2 Downloading dependency 369 of 512: libxml2-dev:amd64=2.15.3+dfsg-1 Downloading dependency 370 of 512: libpcre2-dev:amd64=10.46-1+b2 Downloading dependency 371 of 512: libclang1-21:amd64=1:21.1.8-10 Downloading dependency 372 of 512: libsepol2:amd64=3.11-1 Downloading dependency 373 of 512: libpipeline1:amd64=1.5.8-3 Downloading dependency 374 of 512: texlive-latex-extra:amd64=2026.20260711-2 Downloading dependency 375 of 512: bubblewrap:amd64=0.11.2-2 Downloading dependency 376 of 512: libelf1t64:amd64=0.195-1 Downloading dependency 377 of 512: libnuma1:amd64=2.0.19-1+b2 Downloading dependency 378 of 512: libuuid1:amd64=2.42.2-2 Downloading dependency 379 of 512: libjbig0:amd64=2.1-6.1+b3 Downloading dependency 380 of 512: libaudit-common:amd64=1:4.1.2-1Get:1 http://deb.debian.org/debian unstable/main amd64 libaudit-common all 1:4.1.2-1 [14.3 kB] Fetched 14.3 kB in 0s (0 B/s) dpkg-name: info: moved 'libaudit-common_1%3a4.1.2-1_all.deb' to '/srv/rebuilderd/tmp/tmphi2b96ni/libaudit-common_4.1.2-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libc6-dev amd64 2.42-17 [1991 kB] Fetched 1991 kB in 0s (115 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjniyuh00/libc6-dev_2.42-17_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcap-ng0 amd64 0.9.3-1+b1 [18.2 kB] Fetched 18.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpt_yr1i6o/libcap-ng0_0.9.3-1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libquadmath0 amd64 16.1.0-3 [148 kB] Fetched 148 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphlp_sbap/libquadmath0_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-mono all 2.37-9 [488 kB] Fetched 488 kB in 0s (46.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv_ut75c_/fonts-dejavu-mono_2.37-9_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 pandoc amd64 3.10-1 [28.8 MB] Fetched 28.8 MB in 0s (200 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpi8wim8bq/pandoc_3.10-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libjs-sphinxdoc all 9.1.0-6 [46.1 kB] Fetched 46.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjptnf_km/libjs-sphinxdoc_9.1.0-6_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libzzip-0-13t64 amd64 0.13.78+dfsg.1-0.2+b1 [58.9 kB] Fetched 58.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpaslxam1x/libzzip-0-13t64_0.13.78+dfsg.1-0.2+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmagic-mgc amd64 1:5.47-4 [345 kB] Fetched 345 kB in 0s (0 B/s) dpkg-name: info: moved 'libmagic-mgc_1%3a5.47-4_amd64.deb' to '/srv/rebuilderd/tmp/tmpqtnnra1x/libmagic-mgc_5.47-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxcb-shm0-dev amd64 1.17.0-2+b2 [108 kB] Fetched 108 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgqnmtb6v/libxcb-shm0-dev_1.17.0-2+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-pytz all 2025.2-7 [31.1 kB] Fetched 31.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplwdm03sq/python3-pytz_2025.2-7_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libidn2-0 amd64 2.3.8-5 [109 kB] Fetched 109 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe0mnbuzs/libidn2-0_2.3.8-5_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-regex1.90-dev amd64 1.90.0-6 [343 kB] Fetched 343 kB in 0s (6974 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpiv0i2on1/libboost-regex1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libbz2-1.0 amd64 1.0.8-6+b2 [39.9 kB] Fetched 39.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgjq9i2lw/libbz2-1.0_1.0.8-6+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 doxygen amd64 1.15.0+ds1-1.1 [5544 kB] Fetched 5544 kB in 0s (159 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjcoyso65/doxygen_1.15.0+ds1-1.1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libtext-charwidth-perl amd64 0.04-12+b1 [9344 B] Fetched 9344 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqi1oz0q1/libtext-charwidth-perl_0.04-12+b1_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libpsl5t64 amd64 0.23.0-1 [60.8 kB] Fetched 60.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpf0rgq1v0/libpsl5t64_0.23.0-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 imagemagick-7-common all 8:7.1.2.27+dfsg1-1 [73.3 kB] Fetched 73.3 kB in 0s (1274 kB/s) dpkg-name: info: moved 'imagemagick-7-common_8%3a7.1.2.27+dfsg1-1_all.deb' to '/srv/rebuilderd/tmp/tmpgod8un2c/imagemagick-7-common_7.1.2.27+dfsg1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3 amd64 3.14.6-1 [25.1 kB] Fetched 25.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpu5r8n_yc/python3_3.14.6-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-thread-dev amd64 1.90.0.2 [2880 B] Fetched 2880 B in 0s (141 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpq8ni0y5d/libboost-thread-dev_1.90.0.2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 pandoc-data all 3.10-1 [531 kB] Fetched 531 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpa9mqo_q5/pandoc-data_3.10-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 debhelper all 14.3 [934 kB] Fetched 934 kB in 0s (80.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpd8l1a5gt/debhelper_14.3_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-dev amd64 3.14.6-1 [25.7 kB] Fetched 25.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8640c9xx/python3-dev_3.14.6-1_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 python3-linkify-it all 2.1.0-1 [18.7 kB] Fetched 18.7 kB in 0s (787 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyhfh_rpj/python3-linkify-it_2.1.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 dh-strip-nondeterminism all 1.15.1-1 [6020 B] Fetched 6020 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqvh0qe77/dh-strip-nondeterminism_1.15.1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libfribidi0 amd64 1.0.16-5+b1 [26.2 kB] Fetched 26.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpn6quun5c/libfribidi0_1.0.16-5+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-markdown-it all 4.2.0-3 [63.7 kB] Fetched 63.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp79fsgdcu/python3-markdown-it_4.2.0-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libhwy1t64 amd64 1.3.0-2+b1 [707 kB] Fetched 707 kB in 0s (65.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpw61ht31u/libhwy1t64_1.3.0-2+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libraqm0 amd64 0.10.5-1 [13.6 kB] Fetched 13.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprq7fepvx/libraqm0_0.10.5-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 llvm-21-runtime amd64 1:21.1.8-10 [540 kB] Fetched 540 kB in 0s (53.5 MB/s) dpkg-name: info: moved 'llvm-21-runtime_1%3a21.1.8-10_amd64.deb' to '/srv/rebuilderd/tmp/tmpx8ur2nzq/llvm-21-runtime_21.1.8-10_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 gettext-base amd64 1.0-3 [332 kB] Fetched 332 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2tsurzd5/gettext-base_1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 gettext amd64 1.0-3 [2658 kB] Fetched 2658 kB in 0s (125 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7wzrupq3/gettext_1.0-3_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260801T082401Z unstable/main amd64 libsqlite3-dev amd64 3.53.4-1 [1166 kB] Fetched 1166 kB in 0s (5597 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuzxosn8j/libsqlite3-dev_3.53.4-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libedit2 amd64 3.1-20260512-1 [93.6 kB] Fetched 93.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpptrp_ght/libedit2_3.1-20260512-1_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 g++ amd64 4:15.2.0-5+b1 [1344 B] Fetched 1344 B in 0s (0 B/s) dpkg-name: info: moved 'g++_4%3a15.2.0-5+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmp8e88vfs7/g++_15.2.0-5+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 imagemagick amd64 8:7.1.2.27+dfsg1-1+b1 [25.8 kB] Fetched 25.8 kB in 0s (1041 kB/s) dpkg-name: info: moved 'imagemagick_8%3a7.1.2.27+dfsg1-1+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmpohjw8i0i/imagemagick_7.1.2.27+dfsg1-1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libwebpmux3 amd64 1.5.0-0.1+b2 [126 kB] Fetched 126 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgezlvn5k/libwebpmux3_1.5.0-0.1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libkrb5support0 amd64 1.22.1-3 [31.1 kB] Fetched 31.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxluu7mbk/libkrb5support0_1.22.1-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpam-modules amd64 1.7.0-8 [168 kB] Fetched 168 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpff96teqr/libpam-modules_1.7.0-8_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libngtcp2-crypto-ossl0 amd64 1.24.0-1 [26.5 kB] Fetched 26.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpc6_e4mrw/libngtcp2-crypto-ossl0_1.24.0-1_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 cpp amd64 4:15.2.0-5+b1 [1568 B] Fetched 1568 B in 0s (0 B/s) dpkg-name: info: moved 'cpp_4%3a15.2.0-5+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmpc9_d__x5/cpp_15.2.0-5+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 fonts-lmodern all 2.005-2 [4533 kB] Fetched 4533 kB in 0s (158 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprgbkbga2/fonts-lmodern_2.005-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcommons-parent-java all 56-1 [10.8 kB] Fetched 10.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuhhgdsj7/libcommons-parent-java_56-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-sphinx all 9.1.0-6 [504 kB] Fetched 504 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpupdivyc8/python3-sphinx_9.1.0-6_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libudev1 amd64 261.2-1 [140 kB] Fetched 140 kB in 0s (12.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4it4jkc4/libudev1_261.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libtexlua53-5 amd64 2026.20260303.78225+ds-4 [113 kB] Fetched 113 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptrafj72h/libtexlua53-5_2026.20260303.78225+ds-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 liblqr-1-0 amd64 0.4.2-2.2+b1 [30.0 kB] Fetched 30.0 kB in 0s (965 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0b87bpqq/liblqr-1-0_0.4.2-2.2+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-python-dev amd64 1.90.0.2 [3160 B] Fetched 3160 B in 0s (145 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl3u5kjx1/libboost-python-dev_1.90.0.2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libperl5.42 amd64 5.42.2-3 [4245 kB] Fetched 4245 kB in 0s (155 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3lng3yp1/libperl5.42_5.42.2-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxcb1-dev amd64 1.17.0-2+b2 [181 kB] Fetched 181 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo0fj16u3/libxcb1-dev_1.17.0-2+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 postgresql-client-common all 293 [40.9 kB] Fetched 40.9 kB in 0s (1440 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp14kxw4mm/postgresql-client-common_293_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcatch2-dev amd64 3.7.1-0.6+b1 [610 kB] Fetched 610 kB in 0s (13.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg19e7gyo/libcatch2-dev_3.7.1-0.6+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 liblzma-dev amd64 5.8.3-1 [369 kB] Fetched 369 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkvci90e4/liblzma-dev_5.8.3-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpam-runtime all 1.7.0-8 [246 kB] Fetched 246 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpui9eqjjt/libpam-runtime_1.7.0-8_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsemanage-common all 3.11-1 [7148 B] Fetched 7148 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcq3ilc0i/libsemanage-common_3.11-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-iostreams1.90.0 amd64 1.90.0-6 [245 kB] Fetched 245 kB in 0s (3800 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6b0i330f/libboost-iostreams1.90.0_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 texlive-pictures all 2026.20260711-2 [23.8 MB] Fetched 23.8 MB in 0s (175 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7gqm4dbf/texlive-pictures_2026.20260711-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 ncurses-base all 6.6+20260608-2 [276 kB] Fetched 276 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpq98n8_jz/ncurses-base_6.6+20260608-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libtext-wrapi18n-perl all 0.06-11 [7788 B] Fetched 7788 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpznoim8up/libtext-wrapi18n-perl_0.06-11_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxau-dev amd64 1:1.0.11-1+b2 [23.9 kB] Fetched 23.9 kB in 0s (0 B/s) dpkg-name: info: moved 'libxau-dev_1%3a1.0.11-1+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmpc49td5j1/libxau-dev_1.0.11-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 make amd64 4.4.1-3 [463 kB] Fetched 463 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqbqq04t8/make_4.4.1-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 architecture-properties amd64 0.2.6+b2 [2632 B] Fetched 2632 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp67bt7101/architecture-properties_0.2.6+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 gcc-15 amd64 15.3.0-2 [554 kB] Fetched 554 kB in 0s (55.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7_4rz9np/gcc-15_15.3.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 procps amd64 2:4.0.6-3 [983 kB] Fetched 983 kB in 0s (81.1 MB/s) dpkg-name: info: moved 'procps_2%3a4.0.6-3_amd64.deb' to '/srv/rebuilderd/tmp/tmpq2ie6hli/procps_4.0.6-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 xfonts-utils amd64 1:7.7+7 [93.3 kB] Fetched 93.3 kB in 0s (3192 kB/s) dpkg-name: info: moved 'xfonts-utils_1%3a7.7+7_amd64.deb' to '/srv/rebuilderd/tmp/tmpm6gr4qt_/xfonts-utils_7.7+7_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-atomic1.90-dev amd64 1.90.0-6 [228 kB] Fetched 228 kB in 0s (3329 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplglierpt/libboost-atomic1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmd0 amd64 1.2.0-2 [43.2 kB] Fetched 43.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxqa2m06t/libmd0_1.2.0-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpcre2-32-0 amd64 10.46-1+b2 [267 kB] Fetched 267 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpw4j247ie/libpcre2-32-0_10.46-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3.14 amd64 3.14.6-1 [846 kB] Fetched 846 kB in 0s (75.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxh5tm_oz/python3.14_3.14.6-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-exception1.90-dev amd64 1.90.0-6 [222 kB] Fetched 222 kB in 0s (4888 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmp5j_nna/libboost-exception1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libssl3t64 amd64 3.6.3-1 [2488 kB] Fetched 2488 kB in 0s (129 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnpe8zsl0/libssl3t64_3.6.3-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgc1 amd64 1:8.2.12-1 [253 kB] Fetched 253 kB in 0s (0 B/s) dpkg-name: info: moved 'libgc1_1%3a8.2.12-1_amd64.deb' to '/srv/rebuilderd/tmp/tmpsaroke7_/libgc1_8.2.12-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 postgresql-server-dev-all all 293 [7980 B] Fetched 7980 B in 0s (324 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpilno6c0a/postgresql-server-dev-all_293_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-recommonmark all 0.7.1+ds-9 [16.5 kB] Fetched 16.5 kB in 0s (419 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo3ncjqbz/python3-recommonmark_0.7.1+ds-9_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsharpyuv0 amd64 1.5.0-0.1+b2 [115 kB] Fetched 115 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp22gzv_uz/libsharpyuv0_1.5.0-0.1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 gzip amd64 1.13-1 [138 kB] Fetched 138 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6s6a9r65/gzip_1.13-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxmu6 amd64 2:1.1.3-4+b1 [59.6 kB] Fetched 59.6 kB in 0s (0 B/s) dpkg-name: info: moved 'libxmu6_2%3a1.1.3-4+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmpsdv_ehdk/libxmu6_1.1.3-4+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libx11-dev amd64 2:1.8.13-1 [903 kB] Fetched 903 kB in 0s (77.6 MB/s) dpkg-name: info: moved 'libx11-dev_2%3a1.8.13-1_amd64.deb' to '/srv/rebuilderd/tmp/tmptoclxdrr/libx11-dev_1.8.13-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 debconf all 1.5.92 [123 kB] Fetched 123 kB in 0s (11.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyiy5uig9/debconf_1.5.92_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 fontconfig amd64 2.17.1-5 [191 kB] Fetched 191 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgpqjq3pr/fontconfig_2.17.1-5_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-program-options-dev amd64 1.90.0.2 [2880 B] Fetched 2880 B in 0s (146 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxirk30eh/libboost-program-options-dev_1.90.0.2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgmp10 amd64 2:6.3.0+dfsg-5+b2 [560 kB] Fetched 560 kB in 0s (55.9 MB/s) dpkg-name: info: moved 'libgmp10_2%3a6.3.0+dfsg-5+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmph191llqa/libgmp10_6.3.0+dfsg-5+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 gcc-16-base amd64 16.1.0-3 [37.5 kB] Fetched 37.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5q39y6uc/gcc-16-base_16.1.0-3_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libglib2.0-bin amd64 2.88.2-1 [114 kB] Fetched 114 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpf2_8vg7w/libglib2.0-bin_2.88.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 build-essential amd64 12.12 [4624 B] Fetched 4624 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpobfcp_qr/build-essential_12.12_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libatomic1 amd64 16.1.0-3 [10.4 kB] Fetched 10.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvt5cvojn/libatomic1_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libncurses-dev amd64 6.6+20260608-2 [356 kB] Fetched 356 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp50vpb5ft/libncurses-dev_6.6+20260608-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-packaging all 26.2-2 [84.2 kB] Fetched 84.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnxihtxee/python3-packaging_26.2-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.2-3 [918 kB] Fetched 918 kB in 0s (80.1 MB/s) dpkg-name: info: moved 'zlib1g-dev_1%3a1.3.dfsg+really1.3.2-3_amd64.deb' to '/srv/rebuilderd/tmp/tmpyjfzb508/zlib1g-dev_1.3.dfsg+really1.3.2-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmagickcore-7.q16-10 amd64 8:7.1.2.27+dfsg1-1+b1 [1869 kB] Fetched 1869 kB in 0s (14.5 MB/s) dpkg-name: info: moved 'libmagickcore-7.q16-10_8%3a7.1.2.27+dfsg1-1+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmpaafey272/libmagickcore-7.q16-10_7.1.2.27+dfsg1-1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpaper2 amd64 2.2.5-0.4 [16.6 kB] Fetched 16.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0dxy28kq/libpaper2_2.2.5-0.4_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260801T082401Z unstable/main amd64 libsqlite3-0 amd64 3.53.4-1 [973 kB] Fetched 973 kB in 0s (78.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmps2yve1uy/libsqlite3-0_3.53.4-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libfftw3-double3 amd64 3.3.11-1 [713 kB] Fetched 713 kB in 0s (65.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpsa0y9xh9/libfftw3-double3_3.3.11-1_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libsframe3 amd64 2.46.90.20260712-1 [84.8 kB] Fetched 84.8 kB in 0s (856 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpto5cvpqr/libsframe3_2.46.90.20260712-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-idna all 3.18-1 [41.6 kB] Fetched 41.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1wmcvbx_/python3-idna_3.18-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-thread1.90-dev amd64 1.90.0-6 [263 kB] Fetched 263 kB in 0s (3757 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwx5qm9hw/libboost-thread1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libfmt10 amd64 10.1.1+ds1-4+b2 [126 kB] Fetched 126 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxzni6zdp/libfmt10_10.1.1+ds1-4+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-charset-normalizer amd64 3.4.7-2 [247 kB] Fetched 247 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdxzfw921/python3-charset-normalizer_3.4.7-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libyaml-0-2 amd64 0.2.5-2+b1 [53.8 kB] Fetched 53.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5x9hnjr_/libyaml-0-2_0.2.5-2+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-random1.90-dev amd64 1.90.0-6 [232 kB] Fetched 232 kB in 0s (4346 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpq_6zrvpj/libboost-random1.90-dev_1.90.0-6_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpcre2-8-0 amd64 10.46-1+b2 [297 kB] Fetched 297 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplb78kye9/libpcre2-8-0_10.46-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-sqlalchemy all 2.0.48+ds1-1 [1233 kB] Fetched 1233 kB in 0s (31.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpt0i7qmcy/python3-sqlalchemy_2.0.48+ds1-1_all.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 libglib2.0-dev amd64 2.88.2-1 [38.4 kB] Fetched 38.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjuuyvsy2/libglib2.0-dev_2.88.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxau6 amd64 1:1.0.11-1+b2 [20.7 kB] Fetched 20.7 kB in 0s (0 B/s) dpkg-name: info: moved 'libxau6_1%3a1.0.11-1+b2_amd64.deb' to '/srv/rebuilderd/tmp/tmpdu8tgmua/libxau6_1.0.11-1+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxcb-shm0 amd64 1.17.0-2+b2 [105 kB] Fetched 105 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_4ogn9ly/libxcb-shm0_1.17.0-2+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libheif-plugin-libde265 amd64 1.23.1-1 [17.3 kB] Fetched 17.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0cfi_3yg/libheif-plugin-libde265_1.23.1-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 tar amd64 1.35+dfsg-4 [817 kB] Fetched 817 kB in 0s (74.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpn72n76_3/tar_1.35+dfsg-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libpaper-utils amd64 2.2.5-0.4 [15.8 kB] Fetched 15.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb1ozye7t/libpaper-utils_2.2.5-0.4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgraphite2-3 amd64 1.3.15-2 [75.8 kB] Fetched 75.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpprwfhbgr/libgraphite2-3_1.3.15-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 patch amd64 2.8-2 [134 kB] Fetched 134 kB in 0s (12.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb81t_7jt/patch_2.8-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 xfonts-encodings all 1:1.0.4-2.2 [577 kB] Fetched 577 kB in 0s (23.6 MB/s) dpkg-name: info: moved 'xfonts-encodings_1%3a1.0.4-2.2_all.deb' to '/srv/rebuilderd/tmp/tmpsxbl9sjj/xfonts-encodings_1.0.4-2.2_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-pandas all 2.3.3+dfsg-3 [2935 kB] Fetched 2935 kB in 0s (137 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxia7xvei/python3-pandas_2.3.3+dfsg-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmagickwand-7.q16-10 amd64 8:7.1.2.27+dfsg1-1+b1 [362 kB] Fetched 362 kB in 0s (4144 kB/s) dpkg-name: info: moved 'libmagickwand-7.q16-10_8%3a7.1.2.27+dfsg1-1+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmppo7huwag/libmagickwand-7.q16-10_7.1.2.27+dfsg1-1+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsynctex2 amd64 2026.20260303.78225+ds-4 [63.2 kB] Fetched 63.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpw9ognknu/libsynctex2_2026.20260303.78225+ds-4_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-imagesize all 2.0.0-1 [10.1 kB] Fetched 10.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1nkegc6d/python3-imagesize_2.0.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libdpkg-perl all 1.23.7 [669 kB] Fetched 669 kB in 0s (60.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl9si95q3/libdpkg-perl_1.23.7_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 shared-mime-info amd64 2.4-5+b3 [758 kB] Fetched 758 kB in 0s (71.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpz1j2ej51/shared-mime-info_2.4-5+b3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 liblz4-1 amd64 1.10.0-10 [70.3 kB] Fetched 70.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpca2_wqg6/liblz4-1_1.10.0-10_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libcairo-script-interpreter2 amd64 1.18.4-3+b1 [58.7 kB] Fetched 58.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9_0poskd/libcairo-script-interpreter2_1.18.4-3+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libclang-common-21-dev amd64 1:21.1.8-10 [768 kB] Fetched 768 kB in 0s (68.9 MB/s) dpkg-name: info: moved 'libclang-common-21-dev_1%3a21.1.8-10_amd64.deb' to '/srv/rebuilderd/tmp/tmpkg3cscuo/libclang-common-21-dev_21.1.8-10_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 util-linux amd64 2.42.2-2 [1230 kB] Fetched 1230 kB in 0s (90.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqguq7tlo/util-linux_2.42.2-2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libbrotli1 amd64 1.2.0-3 [320 kB] Fetched 320 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpoxq3hhps/libbrotli1_1.2.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libharfbuzz0b amd64 12.3.2-2+b2 [513 kB] Fetched 513 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuextjudz/libharfbuzz0b_12.3.2-2+b2_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libboost-numpy-dev amd64 1.90.0.2 [2900 B] Fetched 2900 B in 0s (128 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmp6gksil/libboost-numpy-dev_1.90.0.2_amd64.deb' Downloading dependency 381 of 512: 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dependency 486 of 512: tar:amd64=1.35+dfsg-4 Downloading dependency 487 of 512: libpaper-utils:amd64=2.2.5-0.4 Downloading dependency 488 of 512: libgraphite2-3:amd64=1.3.15-2 Downloading dependency 489 of 512: patch:amd64=2.8-2 Downloading dependency 490 of 512: xfonts-encodings:amd64=1:1.0.4-2.2 Downloading dependency 491 of 512: python3-pandas:amd64=2.3.3+dfsg-3 Downloading dependency 492 of 512: libmagickwand-7.q16-10:amd64=8:7.1.2.27+dfsg1-1+b1 Downloading dependency 493 of 512: libsynctex2:amd64=2026.20260303.78225+ds-4 Downloading dependency 494 of 512: python3-imagesize:amd64=2.0.0-1 Downloading dependency 495 of 512: libdpkg-perl:amd64=1.23.7 Downloading dependency 496 of 512: shared-mime-info:amd64=2.4-5+b3 Downloading dependency 497 of 512: liblz4-1:amd64=1.10.0-10 Downloading dependency 498 of 512: libcairo-script-interpreter2:amd64=1.18.4-3+b1 Downloading dependency 499 of 512: libclang-common-21-dev:amd64=1:21.1.8-10 Downloading dependency 500 of 512: util-linux:amd64=2.42.2-2 Downloading dependency 501 of 512: libbrotli1:amd64=1.2.0-3 Downloading dependency 502 of 512: libharfbuzz0b:amd64=12.3.2-2+b2 Downloading dependency 503 of 512: libboost-numpy-dev:amd64=1.90.0.2 Downloading dependency 504 of 512: libptexenc1:amd64=2026.20260303.78225+ds-4Get:1 http://deb.debian.org/debian unstable/main amd64 libptexenc1 amd64 2026.20260303.78225+ds-4 [51.7 kB] Fetched 51.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplt0kzyfq/libptexenc1_2026.20260303.78225+ds-4_amd64.deb' Get:1 http://snapshot.debian.org/archive/debian/20260725T082357Z unstable/main amd64 girepository-tools amd64 2.88.2-1 [133 kB] Fetched 133 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp41atscye/girepository-tools_2.88.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 llvm-21-linker-tools amd64 1:21.1.8-10 [1247 kB] Fetched 1247 kB in 0s (92.8 MB/s) dpkg-name: info: moved 'llvm-21-linker-tools_1%3a21.1.8-10_amd64.deb' to '/srv/rebuilderd/tmp/tmp7rpfvih6/llvm-21-linker-tools_21.1.8-10_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libsystemd0 amd64 261.2-1 [468 kB] Fetched 468 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpy5dfbexo/libsystemd0_261.2-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 python3-pytest all 9.1.1-1 [280 kB] Fetched 280 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6_a90uc4/python3-pytest_9.1.1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libgomp1 amd64 16.1.0-3 [151 kB] Fetched 151 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxhxnw5a2/libgomp1_16.1.0-3_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libmaeparser-dev amd64 1.3.3-4+b1 [13.0 kB] Fetched 13.0 kB in 0s (356 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkhn2t3g8/libmaeparser-dev_1.3.3-4+b1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libdav1d7 amd64 1.5.4-1 [583 kB] Fetched 583 kB in 0s (47.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2ejubxgf/libdav1d7_1.5.4-1_amd64.deb' Get:1 http://deb.debian.org/debian unstable/main amd64 libxi6 amd64 2:1.8.2-2+b1 [79.9 kB] Fetched 79.9 kB in 0s (0 B/s) dpkg-name: info: moved 'libxi6_2%3a1.8.2-2+b1_amd64.deb' to '/srv/rebuilderd/tmp/tmp5arnbwnr/libxi6_1.8.2-2+b1_amd64.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-source --before-build . dpkg-buildpackage: info: host architecture amd64 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_amd64.buildinfo dpkg-genchanges --build=binary -O../debootsnap-dummy_1.0_amd64.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/tmpevhnav4x/cache directory, not in ".." as indicated by the message above! I: automatically chosen mode: unshare I: chroot architecture amd64 is equal to the host's architecture I: using /srv/rebuilderd/tmp/mmdebstrap.NwXmvCNdYK as tempdir I: running --setup-hook directly: /usr/share/mmdebstrap/hooks/maybe-merged-usr/setup00.sh /srv/rebuilderd/tmp/mmdebstrap.NwXmvCNdYK 127.0.0.1 - - [03/Aug/2026 06:27:27] code 404, message File not found 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./InRelease HTTP/1.1" 404 - Ign:1 http://localhost:41143 ./ InRelease 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./Release HTTP/1.1" 200 - Get:2 http://localhost:41143 ./ Release [462 B] 127.0.0.1 - - [03/Aug/2026 06:27:27] code 404, message File not found 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./Release.gpg HTTP/1.1" 404 - Ign:3 http://localhost:41143 ./ Release.gpg 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./Packages HTTP/1.1" 200 - Get:4 http://localhost:41143 ./ Packages [785 kB] Fetched 786 kB in 0s (43.6 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 - - [03/Aug/2026 06:27:27] "GET /./libsmartcols1_2.42.2-2_amd64.deb HTTP/1.1" 200 - 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./libudev1_261.2-1_amd64.deb HTTP/1.1" 200 - 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./libuuid1_2.42.2-2_amd64.deb HTTP/1.1" 200 - 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./util-linux_2.42.2-2_amd64.deb HTTP/1.1" 200 - 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./libdebconfclient0_0.283_amd64.deb HTTP/1.1" 200 - 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./base-passwd_3.6.8_amd64.deb HTTP/1.1" 200 - 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./init-system-helpers_1.69_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./libc-bin_2.42-17_amd64.deb HTTP/1.1" 200 - 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./ncurses-base_6.6%2b20260608-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [03/Aug/2026 06:27:27] "GET /./sysvinit-utils_3.18-1_amd64.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.NwXmvCNdYK 127.0.0.1 - - [03/Aug/2026 06:27:28] code 404, message File not found 127.0.0.1 - - [03/Aug/2026 06:27:28] "GET /./InRelease HTTP/1.1" 404 - Ign:1 http://localhost:41143 ./ InRelease 127.0.0.1 - - [03/Aug/2026 06:27:28] "GET /./Release HTTP/1.1" 304 - Hit:2 http://localhost:41143 ./ Release 127.0.0.1 - - [03/Aug/2026 06:27:28] code 404, message File not found 127.0.0.1 - - [03/Aug/2026 06:27:28] "GET /./Release.gpg HTTP/1.1" 404 - Ign:3 http://localhost:41143 ./ 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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Building dependency tree... Reading state information... libsvtav1enc4 is already the newest version (4.1.0+dfsg-1). libsvtav1enc4 set to manually installed. native-architecture is already the newest version (0.2.6). native-architecture set to manually installed. libpython3.14 is already the newest version (3.14.6-1). libpython3.14 set to manually installed. libattr1 is already the newest version (1:2.6.0-1). libnghttp2-14 is already the newest version (1.69.0-1). libnghttp2-14 set to manually installed. dh-python is already the newest version (7.20260623). dh-python set to manually installed. po-debconf is already the newest version (1.0.22). po-debconf set to manually installed. intltool-debian is already the newest version (0.35.0+20060710.6). intltool-debian set to manually installed. libpangoft2-1.0-0 is already the newest version (1.58.0-1). libpangoft2-1.0-0 set to manually installed. cpp-15-x86-64-linux-gnu is already the newest version (15.3.0-2). cpp-15-x86-64-linux-gnu set to manually installed. libboost-serialization1.90-dev is already the newest version (1.90.0-6). libboost-serialization1.90-dev set to manually installed. libpcre2-posix3 is already the newest version (10.46-1+b2). libpcre2-posix3 set to manually installed. texlive-latex-base is already the newest version (2026.20260711-2). texlive-latex-base set to manually installed. python3.14-minimal is already the newest version (3.14.6-1). python3.14-minimal set to manually installed. passwd is already the newest version (1:4.19.3-2). passwd set to manually installed. pkgconf-bin is already the newest version (2.5.1-4). pkgconf-bin set to manually installed. xdg-utils is already the newest version (1.2.1-2). xdg-utils set to manually installed. libexpat1-dev is already the newest version (2.8.2-1). libexpat1-dev set to manually installed. libxrender-dev is already the newest version (1:0.9.12-1+b2). libxrender-dev set to manually installed. base-passwd is already the newest version (3.6.8). libdebconfclient0 is already the newest version (0.283). linux-libc-dev is already the newest version (7.1.4-1). linux-libc-dev set to manually installed. python3-certifi is already the newest version (2026.7.22+ds-1). python3-certifi set to manually installed. postgresql-common-dev is already the newest version (293). postgresql-common-dev set to manually installed. libsepol-dev is already the newest version (3.11-1). libsepol-dev set to manually installed. librsvg2-bin is already the newest version (2.62.1+dfsg-1). librsvg2-bin set to manually installed. libcom-err2 is already the newest version (1.47.4-1). libcom-err2 set to manually installed. libboost-iostreams-dev is already the newest version (1.90.0.2). libboost-iostreams-dev set to manually installed. libgcc-15-dev is already the newest version (15.3.0-2). libgcc-15-dev set to manually installed. python3-jinja2 is already the newest version (3.1.6-3). python3-jinja2 set to manually installed. libboost-graph1.90-dev is already the newest version 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libsystemd-shared is already the newest version (261.2-1). libsystemd-shared set to manually installed. libpdfbox-java is already the newest version (1:1.8.16-5). libpdfbox-java set to manually installed. libgdbm-compat4t64 is already the newest version (1.26-1+b2). libgdbm-compat4t64 set to manually installed. python3-pygments is already the newest version (2.20.0+dfsg-2). python3-pygments set to manually installed. libheif-plugin-dav1d is already the newest version (1.23.1-1). libheif-plugin-dav1d set to manually installed. libcurl4t64 is already the newest version (8.21.0-2). libcurl4t64 set to manually installed. liblzo2-2 is already the newest version (2.10-3+b2). liblzo2-2 set to manually installed. groff-base is already the newest version (1.24.1-1). groff-base set to manually installed. libmagic1t64 is already the newest version (1:5.47-4). libmagic1t64 set to manually installed. texlive-base is already the newest version (2026.20260711-2). texlive-base set to manually 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already the newest version (1.10.0-10). liblz4-1 set to manually installed. libcairo-script-interpreter2 is already the newest version (1.18.4-3+b1). libcairo-script-interpreter2 set to manually installed. libclang-common-21-dev is already the newest version (1:21.1.8-10). libclang-common-21-dev set to manually installed. util-linux is already the newest version (2.42.2-2). libbrotli1 is already the newest version (1.2.0-3). libbrotli1 set to manually installed. libharfbuzz0b is already the newest version (12.3.2-2+b2). libharfbuzz0b set to manually installed. libboost-numpy-dev is already the newest version (1.90.0.2). libboost-numpy-dev set to manually installed. libptexenc1 is already the newest version (2026.20260303.78225+ds-4). libptexenc1 set to manually installed. girepository-tools is already the newest version (2.88.2-1). girepository-tools set to manually installed. llvm-21-linker-tools is already the newest version (1:21.1.8-10). llvm-21-linker-tools set to manually installed. libsystemd0 is already the newest version (261.2-1). python3-pytest is already the newest version (9.1.1-1). python3-pytest set to manually installed. libgomp1 is already the newest version (16.1.0-3). libgomp1 set to manually installed. libmaeparser-dev is already the newest version (1.3.3-4+b1). libmaeparser-dev set to manually installed. libdav1d7 is already the newest version (1.5.4-1). libdav1d7 set to manually installed. libxi6 is already the newest version (2:1.8.2-2+b1). libxi6 set to manually installed. 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.NwXmvCNdYK (Reading database ... 82168 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.NwXmvCNdYK I: running special hook: download /pkglist ./pkglist I: running --customize-hook in shell: sh -c 'rm "$1/pkglist"' exec /srv/rebuilderd/tmp/mmdebstrap.NwXmvCNdYK 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.NwXmvCNdYK... I: success in 420.4184 seconds Downloading dependency 505 of 512: girepository-tools:amd64=2.88.2-1 Downloading dependency 506 of 512: llvm-21-linker-tools:amd64=1:21.1.8-10 Downloading dependency 507 of 512: libsystemd0:amd64=261.2-1 Downloading dependency 508 of 512: python3-pytest:amd64=9.1.1-1 Downloading dependency 509 of 512: libgomp1:amd64=16.1.0-3 Downloading dependency 510 of 512: libmaeparser-dev:amd64=1.3.3-4+b1 Downloading dependency 511 of 512: libdav1d7:amd64=1.5.4-1 Downloading dependency 512 of 512: libxi6:amd64=2:1.8.2-2+b1 env --chdir=/srv/rebuilderd/tmp/rebuilderdjDHESL/out DEB_BUILD_OPTIONS=parallel=6 LANG=C.UTF-8 LC_COLLATE=C.UTF-8 LC_CTYPE=C.UTF-8 SOURCE_DATE_EPOCH=1785276579 SBUILD_CONFIG=/srv/rebuilderd/tmp/debrebuildDZ0jkU/debrebuild.sbuildrc.LNV1bhkDRJxV sbuild --build=amd64 --host=amd64 --arch-any --no-arch-all --chroot=/srv/rebuilderd/tmp/debrebuildDZ0jkU/debrebuild.tar.hu9RkH0ptD1Z --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-202603.4 /srv/rebuilderd/tmp/rebuilderdjDHESL/inputs/rdkit_202603.4-1.dsc I: consider moving your ~/.sbuildrc to /srv/rebuilderd/.config/sbuild/config.pl The Debian buildds switched to the "unshare" backend and sbuild will default to it in the future. To start using "unshare" add this to your `~/.config/sbuild/config.pl`: $chroot_mode = "unshare"; If you want to keep the old "schroot" mode even in the future, add the following to your `~/.config/sbuild/config.pl`: $chroot_mode = "schroot"; $schroot = "schroot"; sbuild (Debian sbuild) 0.89.3+deb13u4 (28 December 2025) on osuosl44-amd64.novalocal +==============================================================================+ | rdkit 202603.4-1 (amd64) Mon, 03 Aug 2026 06:34:28 +0000 | +==============================================================================+ Package: rdkit Version: 202603.4-1 Source Version: 202603.4-1 Distribution: unstable Machine Architecture: amd64 Host Architecture: amd64 Build Architecture: amd64 Build Type: any I: No tarballs found in /srv/rebuilderd/.cache/sbuild I: Unpacking /srv/rebuilderd/tmp/debrebuildDZ0jkU/debrebuild.tar.hu9RkH0ptD1Z to /srv/rebuilderd/tmp/tmp.sbuild.YIdswUiu_Y... I: Setting up the chroot... I: Creating chroot session... I: Setting up log color... I: Setting up apt archive... +------------------------------------------------------------------------------+ | Fetch source files Mon, 03 Aug 2026 06:34:40 +0000 | +------------------------------------------------------------------------------+ Local sources ------------- /srv/rebuilderd/tmp/rebuilderdjDHESL/inputs/rdkit_202603.4-1.dsc exists in /srv/rebuilderd/tmp/rebuilderdjDHESL/inputs; copying to chroot +------------------------------------------------------------------------------+ | Install package build dependencies Mon, 03 Aug 2026 06:34:42 +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, librsvg2-bin, libsqlite3-dev, pandoc, postgresql-server-dev-all, python3-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, librsvg2-bin, libsqlite3-dev, pandoc, postgresql-server-dev-all, python3-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-HkeNuJ/apt_archive/sbuild-build-depends-main-dummy.deb'. Install main build dependencies (apt-based resolver) ---------------------------------------------------- Installing build dependencies +------------------------------------------------------------------------------+ | Check architectures Mon, 03 Aug 2026 06:34:50 +0000 | +------------------------------------------------------------------------------+ Arch check ok (amd64 included in any all) +------------------------------------------------------------------------------+ | Build environment Mon, 03 Aug 2026 06:34:50 +0000 | +------------------------------------------------------------------------------+ Kernel: Linux 6.12.100+deb13-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.100-1 (2026-07-30) amd64 (x86_64) Toolchain package versions: binutils_2.46.90.20260712-1 dpkg-dev_1.23.7 g++-15_15.3.0-2 gcc-15_15.3.0-2 libc6-dev_2.42-17 libstdc++-15-dev_15.3.0-2 libstdc++6_16.1.0-3 linux-libc-dev_7.1.4-1 Package versions: adduser_3.158 architecture-properties_0.2.6+b2 autoconf_2.73-2 automake_1:1.18.1-4 autopoint_1.0-3 autotools-dev_20240727.1+nmu1 base-files_14.2 base-passwd_3.6.8 bash_5.3-3 binutils_2.46.90.20260712-1 binutils-common_2.46.90.20260712-1 binutils-x86-64-linux-gnu_2.46.90.20260712-1 bison_2:3.8.2+dfsg-1+b3 bsdextrautils_2.42.2-2 bubblewrap_0.11.2-2 build-essential_12.12 bzip2_1.0.8-6+b2 ca-certificates_20260601 catch2_3.7.1-0.6 clang-21_1:21.1.8-10 cmake_4.3.4-1 coreutils_9.10-1 cpp_4:15.2.0-5+b1 cpp-15_15.3.0-2 cpp-15-x86-64-linux-gnu_15.3.0-2 cpp-x86-64-linux-gnu_4:15.2.0-5+b1 dash_0.5.12-12 debconf_1.5.92 debhelper_14.3 debianutils_5.23.2 dh-autoreconf_22 dh-python_7.20260623 dh-strip-nondeterminism_1.15.1-1 diffutils_1:3.12-1 docutils-common_0.22.4+dfsg-1 doxygen_1.15.0+ds1-1.1 dpkg_1.23.7 dpkg-dev_1.23.7 dwz_0.17-1 file_1:5.47-4 findutils_4.10.0-4 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++_4:15.2.0-5+b1 g++-15_15.3.0-2 g++-15-x86-64-linux-gnu_15.3.0-2 g++-x86-64-linux-gnu_4:15.2.0-5+b1 gcc_4:15.2.0-5+b1 gcc-15_15.3.0-2 gcc-15-base_15.3.0-2 gcc-15-x86-64-linux-gnu_15.3.0-2 gcc-16-base_16.1.0-3 gcc-x86-64-linux-gnu_4:15.2.0-5+b1 gettext_1.0-3 gettext-base_1.0-3 girepository-tools_2.88.2-1 glycin-loaders_2.1.5+ds-2 glycin-thumbnailers_2.1.5+ds-2 grep_3.12-1 groff-base_1.24.1-1 gzip_1.13-1 hicolor-icon-theme_0.18-2 hostname_3.25 imagemagick_8:7.1.2.27+dfsg1-1+b1 imagemagick-7-common_8:7.1.2.27+dfsg1-1 imagemagick-7.q16_8:7.1.2.27+dfsg1-1+b1 init-system-helpers_1.69 intltool-debian_0.35.0+20060710.6 latexmk_1:4.88~ds-1 libabsl20260526_20260526.0-2 libacl1_2.4.0-1 libaom3_3.13.1-2+b1 libapache-pom-java_33-2 libarchive-zip-perl_1.68-1 libarchive13t64_3.8.8-2 libasan8_16.1.0-3 libatomic1_16.1.0-3 libattr1_1:2.6.0-1 libaudit-common_1:4.1.2-1 libaudit1_1:4.1.2-1+b1 libavif16_1.4.2-1 libbinutils_2.46.90.20260712-1 libblas3_3.12.1-8 libblkid-dev_2.42.2-2 libblkid1_2.42.2-2 libboost-atomic1.90-dev_1.90.0-6 libboost-atomic1.90.0_1.90.0-6 libboost-chrono1.90-dev_1.90.0-6 libboost-chrono1.90.0_1.90.0-6 libboost-container1.90-dev_1.90.0-6 libboost-container1.90.0_1.90.0-6 libboost-date-time1.90-dev_1.90.0-6 libboost-date-time1.90.0_1.90.0-6 libboost-dev_1.90.0.2 libboost-exception1.90-dev_1.90.0-6 libboost-graph1.90-dev_1.90.0-6 libboost-graph1.90.0_1.90.0-6 libboost-iostreams-dev_1.90.0.2 libboost-iostreams1.90-dev_1.90.0-6 libboost-iostreams1.90.0_1.90.0-6 libboost-numpy-dev_1.90.0.2 libboost-numpy1.90-dev_1.90.0-6 libboost-numpy1.90.0_1.90.0-6 libboost-program-options-dev_1.90.0.2 libboost-program-options1.90-dev_1.90.0-6 libboost-program-options1.90.0_1.90.0-6 libboost-python-dev_1.90.0.2 libboost-python1.90-dev_1.90.0-6 libboost-python1.90.0_1.90.0-6 libboost-random1.90-dev_1.90.0-6 libboost-random1.90.0_1.90.0-6 libboost-regex-dev_1.90.0.2 libboost-regex1.90-dev_1.90.0-6 libboost-regex1.90.0_1.90.0-6 libboost-serialization1.90-dev_1.90.0-6 libboost-serialization1.90.0_1.90.0-6 libboost-test1.90-dev_1.90.0-6 libboost-test1.90.0_1.90.0-6 libboost-thread-dev_1.90.0.2 libboost-thread1.90-dev_1.90.0-6 libboost-thread1.90.0_1.90.0-6 libboost1.90-dev_1.90.0-6 libbrotli-dev_1.2.0-3 libbrotli1_1.2.0-3 libbsd0_0.12.2-3 libbz2-1.0_1.0.8-6+b2 libbz2-dev_1.0.8-6+b2 libc-bin_2.42-17 libc-dev-bin_2.42-17 libc-gconv-modules-extra_2.42-17 libc6_2.42-17 libc6-dev_2.42-17 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_0.9.3-1+b1 libcap2_1:2.78-1 libcatch2-dev_3.7.1-0.6+b1 libcc1-0_16.1.0-3 libclang-common-21-dev_1:21.1.8-10 libclang-cpp21_1:21.1.8-10 libclang1-21_1:21.1.8-10 libcom-err2_1.47.4-1 libcommons-logging-java_1.3.0-2 libcommons-parent-java_56-1 libcoordgen-dev_3.0.2-4 libcoordgen3_3.0.2-4 libcrypt1_1:4.5.1-1+b1 libctf-nobfd0_2.46.90.20260712-1 libctf0_2.46.90.20260712-1 libcurl4t64_8.21.0-2 libdatrie1_0.2.14-2 libdav1d7_1.5.4-1 libdb5.3t64_5.3.28+dfsg2-11+b1 libde265-0_1.1.1-1 libdebconfclient0_0.283 libdebhelper-perl_14.3 libdeflate0_1.25-1 libdpkg-perl_1.23.7 libedit2_3.1-20260512-1 libeigen3-dev_3.4.0-5 libelf1t64_0.195-1 libexpat1_2.8.2-1 libexpat1-dev_2.8.2-1 libffi-dev_3.7.1-2 libffi8_3.7.1-2 libfftw3-double3_3.3.11-1 libfile-stripnondeterminism-perl_1.15.1-1 libfmt10_10.1.1+ds1-4+b2 libfontbox-java_1:1.8.16-5 libfontconfig-dev_2.17.1-5 libfontconfig1_2.17.1-5 libfontenc1_1:1.1.8-1+b3 libfreetype-dev_2.14.3+dfsg-2 libfreetype6_2.14.3+dfsg-2 libfribidi0_1.0.16-5+b1 libgav1-2_0.20.0-2+b2 libgc1_1:8.2.12-1 libgcc-15-dev_15.3.0-2 libgcc-s1_16.1.0-3 libgdbm-compat4t64_1.26-1+b2 libgdbm6t64_1.26-1+b2 libgdk-pixbuf-2.0-0_2.44.7+dfsg-1 libgdk-pixbuf2.0-common_2.44.7+dfsg-1 libgfortran5_16.1.0-3 libgio-2.0-dev_2.88.2-1 libgio-2.0-dev-bin_2.88.2-1 libgirepository-2.0-0_2.88.2-1 libglib2.0-0t64_2.88.2-1 libglib2.0-bin_2.88.2-1 libglib2.0-data_2.88.2-1 libglib2.0-dev_2.88.2-1 libglib2.0-dev-bin_2.88.2-1 libglycin-2-0_2.1.5+ds-2 libgmp10_2:6.3.0+dfsg-5+b2 libgomp1_16.1.0-3 libgprofng0_2.46.90.20260712-1 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_1.23.1-1 libheif-plugin-libde265_1.23.1-1 libheif1_1.23.1-1 libhwasan0_16.1.0-3 libhwy1t64_1.3.0-2+b1 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 libinchi1.07_1.07.3+dfsg-2 libio-pty-perl_1:1.31-1+b1 libipc-run-perl_20260402.0-1 libisl23_0.28-1 libitm1_16.1.0-3 libjansson4_2.15.1-1 libjbig0_2.1-6.1+b3 libjpeg62-turbo_1:3.1.3-4 libjs-sphinxdoc_9.1.0-6 libjson-perl_4.10000-1 libjsoncpp26_1.9.8-2 libjxl0.11_0.11.2-5 libk5crypto3_1.22.1-3 libkeyutils1_1.6.3-6+b2 libkpathsea6_2026.20260303.78225+ds-4 libkrb5-3_1.22.1-3 libkrb5support0_1.22.1-3 liblapack3_3.12.1-8 liblcms2-2_2.19.1-1 libldap2_2.6.13+dfsg-1+b1 liblerc4_4.1.1+ds-2 libllvm21_1:21.1.8-10 liblqr-1-0_0.4.2-2.2+b1 liblsan0_16.1.0-3 libltdl7_2.5.4-11 liblua5.4-0_5.4.8-2 liblz4-1_1.10.0-10 liblzma-dev_5.8.3-1 liblzma5_5.8.3-1 liblzo2-2_2.10-3+b2 libmaeparser-dev_1.3.3-4+b1 libmaeparser1_1.3.3-4+b1 libmagic-mgc_1:5.47-4 libmagic1t64_1:5.47-4 libmagickcore-7.q16-10_8:7.1.2.27+dfsg1-1+b1 libmagickwand-7.q16-10_8:7.1.2.27+dfsg1-1+b1 libmd0_1.2.0-2 libmount-dev_2.42.2-2 libmount1_2.42.2-2 libmpc3_1.3.1-3 libmpfi0_1.5.4+ds-5 libmpfr6_4.2.2-3 libncurses-dev_6.6+20260608-2 libncurses6_6.6+20260608-2 libncursesw6_6.6+20260608-2 libnettle8t64_3.10.2-1+b1 libnghttp2-14_1.69.0-1 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 libobjc-15-dev_15.3.0-2 libobjc4_16.1.0-3 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_1.58.0-1 libpangocairo-1.0-0_1.58.0-1 libpangoft2-1.0-0_1.58.0-1 libpaper-utils_2.2.5-0.4 libpaper2_2.2.5-0.4 libpcre2-16-0_10.46-1+b2 libpcre2-32-0_10.46-1+b2 libpcre2-8-0_10.46-1+b2 libpcre2-dev_10.46-1+b2 libpcre2-posix3_10.46-1+b2 libpdfbox-java_1:1.8.16-5 libperl5.42_5.42.2-3 libpfm4_4.13.0+git106-g3e4031b-1+b2 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_1.6.58-1 libpng16-16t64_1.6.58-1 libpotrace0_1.16-2+b3 libpq-dev_18.4-1+b2 libpq5_18.4-1+b2 libproc2-1_2:4.0.6-3 libpsl5t64_0.23.0-1 libptexenc1_2026.20260303.78225+ds-4 libpython3-dev_3.14.6-1 libpython3-stdlib_3.14.6-1 libpython3.14_3.14.6-1 libpython3.14-dev_3.14.6-1 libpython3.14-minimal_3.14.6-1 libpython3.14-stdlib_3.14.6-1 libquadmath0_16.1.0-3 libraqm0_0.10.5-1 librav1e0.8_0.8.1-11 libraw25_0.22.1-1 libreadline8t64_8.3-4 librhash1_1.4.6-1.1+b1 librsvg2-2_2.62.1+dfsg-1 librsvg2-bin_2.62.1+dfsg-1 libsasl2-2_2.1.28+dfsg1-11 libsasl2-modules-db_2.1.28+dfsg1-11 libseccomp2_2.6.1-1 libselinux-dev_3.11-2 libselinux1_3.11-2 libsemanage-common_3.11-1 libsemanage2_3.11-1 libsepol-dev_3.11-1 libsepol2_3.11-1 libsframe3_2.46.90.20260712-1 libsharpyuv0_1.5.0-0.1+b2 libsm-dev_2:1.2.6-1+b2 libsm6_2:1.2.6-1+b2 libsmartcols1_2.42.2-2 libspdlog1.15_1:1.15.3+ds-1+b2 libsqlite3-0_3.53.4-1 libsqlite3-dev_3.53.4-1 libssh2-1t64_1.11.1-5 libssl-dev_3.6.3-1 libssl3t64_3.6.3-1 libstdc++-15-dev_15.3.0-2 libstdc++6_16.1.0-3 libsvtav1enc4_4.1.0+dfsg-1 libsynctex2_2026.20260303.78225+ds-4 libsysprof-capture-4-dev_50.0-3 libsystemd-shared_261.2-1 libsystemd0_261.2-1 libteckit0_2.5.13+ds-2 libtexlua53-5_2026.20260303.78225+ds-4 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_2.5.4-11 libtsan2_16.1.0-3 libubsan1_16.1.0-3 libuchardet0_0.0.8-2+b2 libudev1_261.2-1 libunistring5_1.4.2-1 libuuid1_2.42.2-2 libuv1t64_1.52.1-4 libwebp7_1.5.0-0.1+b2 libwebpdemux2_1.5.0-0.1+b2 libwebpmux3_1.5.0-0.1+b2 libx11-6_2:1.8.13-1 libx11-data_2:1.8.13-1 libx11-dev_2:1.8.13-1 libxapian30_1.4.31-2 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_2:1.8.2-2+b1 libxml2-16_2.15.3+dfsg-1 libxml2-dev_2.15.3+dfsg-1 libxmu6_2:1.1.3-4+b1 libxpm4_1:3.5.19-1 libxrender-dev_1:0.9.12-1+b2 libxrender1_1:0.9.12-1+b2 libxt6t64_1:1.2.1-1.3+b2 libxxhash0_0.8.3-2+b2 libyaml-0-2_0.2.5-2+b1 libyuv0_0.0.1949.20260706-1 libz3-4_4.13.3-1.1 libz3-dev_4.13.3-1.1 libzstd1_1.5.7+dfsg-3+b2 libzzip-0-13t64_0.13.78+dfsg.1-0.2+b1 linux-libc-dev_7.1.4-1 llvm-21_1:21.1.8-10 llvm-21-dev_1:21.1.8-10 llvm-21-linker-tools_1:21.1.8-10 llvm-21-runtime_1:21.1.8-10 llvm-21-tools_1:21.1.8-10 login.defs_1:4.19.3-2 m4_1.4.21-1 make_4.4.1-3 man-db_2.13.1-1 mawk_1.3.4.20260302-1 media-types_14.0.0 native-architecture_0.2.6 ncurses-base_6.6+20260608-2 ncurses-bin_6.6+20260608-2 netbase_6.5 openssl_3.6.3-1 openssl-provider-legacy_3.6.3-1 pandoc_3.10-1 pandoc-data_3.10-1 passwd_1:4.19.3-2 patch_2.8-2 perl_5.42.2-3 perl-base_5.42.2-3 perl-modules-5.42_5.42.2-3 pkgconf_2.5.1-4 pkgconf-bin_2.5.1-4 po-debconf_1.0.22 postgresql-client-18_18.4-1+b2 postgresql-client-common_293 postgresql-common_293 postgresql-common-dev_293 postgresql-server-dev-18_18.4-1+b2 postgresql-server-dev-all_293 preview-latex-style_13.2-1.1 procps_2:4.0.6-3 python-babel-localedata_2.17.0-2 python3_3.14.6-1 python3-alabaster_1.0.0-1 python3-babel_2.17.0-2 python3-certifi_2026.7.22+ds-1 python3-chardet_5.2.0+dfsg-2 python3-charset-normalizer_3.4.7-2 python3-commonmark_0.9.1-8 python3-dateutil_2.9.0-5 python3-defusedxml_0.7.1-3 python3-dev_3.14.6-1 python3-docutils_0.22.4+dfsg-1 python3-greenlet_3.3.2-4 python3-idna_3.18-1 python3-imagesize_2.0.0-1 python3-iniconfig_2.1.0-2 python3-jinja2_3.1.6-3 python3-linkify-it_2.1.0-1 python3-markdown-it_4.2.0-3 python3-markupsafe_3.0.3-1+b1 python3-mdit-py-plugins_0.6.1-1 python3-mdurl_0.1.2-1 python3-minimal_3.14.6-1 python3-myst-parser_5.1.0-2 python3-numpy_1:2.4.6+ds-4 python3-numpy-dev_1:2.4.6+ds-4 python3-packaging_26.2-2 python3-pandas_2.3.3+dfsg-3 python3-pandas-lib_2.3.3+dfsg-3+b1 python3-pil_12.3.0-1 python3-pluggy_1.6.0-2 python3-pygments_2.20.0+dfsg-2 python3-pytest_9.1.1-1 python3-pytz_2025.2-7 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_9.1.0-6 python3-sqlalchemy_2.0.48+ds1-1 python3-typing-extensions_4.16.0-4 python3-uc-micro_2.0.0-1 python3-urllib3_2.7.0-3 python3-yaml_6.0.3-1 python3.14_3.14.6-1 python3.14-dev_3.14.6-1 python3.14-minimal_3.14.6-1 rapidjson-dev_1.1.0+dfsg2-7.6 readline-common_8.3-4 rpcsvc-proto_1.4.4-1 sed_4.9-3 sensible-utils_0.0.26 sgml-base_1.31+nmu1 shared-mime-info_2.4-5+b3 sphinx-common_9.1.0-6 ssl-cert_1.1.3 systemd_261.2-1 sysvinit-utils_3.18-1 t1utils_1.41-4 tar_1.35+dfsg-4 tex-common_6.20 tex-gyre_20180621-8 texlive-base_2026.20260711-2 texlive-binaries_2026.20260303.78225+ds-4 texlive-fonts-recommended_2026.20260711-2 texlive-latex-base_2026.20260711-2 texlive-latex-extra_2026.20260711-2 texlive-latex-recommended_2026.20260711-2 texlive-pictures_2026.20260711-2 tzdata_2026c-1 ucf_3.0056 util-linux_2.42.2-2 uuid-dev_2.42.2-2 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 xml-core_0.21 xorg-sgml-doctools_1:1.12.1-1 xtrans-dev_1.6.0-1 xz-utils_5.8.3-1 zlib1g_1:1.3.dfsg+really1.3.2-3 zlib1g-dev_1:1.3.dfsg+really1.3.2-3 +------------------------------------------------------------------------------+ | Build Mon, 03 Aug 2026 06:34:50 +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: 202603.4-1 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 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, librsvg2-bin, libsqlite3-dev, pandoc, postgresql-server-dev-all, python3-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: 58d911662d9a4cf040331c5cdee740a7a7ddff1d 64664440 rdkit_202603.4.orig.tar.xz da83fe6c344ecda2e61f1b7e2ecbad47cefc926a 49240 rdkit_202603.4-1.debian.tar.xz Checksums-Sha256: 6fef535276a2d625682a15ee85742290227a7059cf8ca57b17149f3963cc242c 64664440 rdkit_202603.4.orig.tar.xz 5246a86e7dbe5575bed9e23d42f9dff3e85f65e02c3b093d3f9cf955cc057e35 49240 rdkit_202603.4-1.debian.tar.xz Files: b2cd1dbe154e253e0afd283a87dc4bc7 64664440 rdkit_202603.4.orig.tar.xz 7a7384d10cd8d9077936847f10c69ac2 49240 rdkit_202603.4-1.debian.tar.xz -----BEGIN PGP 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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-202603.4 dpkg-source: info: unpacking rdkit_202603.4.orig.tar.xz dpkg-source: info: unpacking rdkit_202603.4-1.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 Check disk space ---------------- Sufficient free space for build User Environment ---------------- APT_CONFIG=/var/lib/sbuild/apt.conf DEB_BUILD_OPTIONS=parallel=6 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=1785276579 USER=sbuild dpkg-buildpackage ----------------- Command: dpkg-buildpackage --sanitize-env -us -uc -B dpkg-buildpackage: info: source package rdkit dpkg-buildpackage: info: source version 202603.4-1 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Michael Banck dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 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-202603.4' find /build/reproducible-path/rdkit-202603.4 -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-202603.4/Code/PgSQL/rdkit/build-* make[1]: Leaving directory '/build/reproducible-path/rdkit-202603.4' 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-202603.4' dh_auto_configure -- -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 -DPYTHON_EXECUTABLE=/usr/bin/python3.14 ../ cd obj-x86_64-linux-gnu && DEB_PYTHON_INSTALL_LAYOUT=deb PKG_CONFIG=x86_64-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/x86_64-linux-gnu-gcc -DCMAKE_CXX_COMPILER=/usr/bin/x86_64-linux-gnu-g\+\+ -DPKG_CONFIG_EXECUTABLE=/usr/bin/x86_64-linux-gnu-pkg-config -DPKGCONFIG_EXECUTABLE=/usr/bin/x86_64-linux-gnu-pkg-config -DCMAKE_INSTALL_LIBDIR=lib/x86_64-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 -DPYTHON_EXECUTABLE=/usr/bin/python3.14 ../ .. -- The C compiler identification is GNU 15.3.0 -- The CXX compiler identification is GNU 15.3.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/x86_64-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/x86_64-linux-gnu-g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found Inchi: /usr/lib/x86_64-linux-gnu/libinchi.so -- Found Python3: /usr/bin/python3 (found version "3.14.6") found components: Interpreter Development.Module NumPy Python Install directory /usr/lib/python3.14/site-packages nbval not found, disabling the jupyter tests -- Found Eigen3: /usr/include/eigen3 (Required is at least version "2.91.0") -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Found PostgreSQL: /usr/lib/x86_64-linux-gnu/libpq.so (found version "18.4") == Using strict rotor definition CMake Warning at Code/GraphMol/FileParsers/CMakeLists.txt:133 (find_package): By not providing "FindTBB.cmake" in CMAKE_MODULE_PATH this project has asked CMake to find a package configuration file provided by "TBB", but CMake did not find one. Could not find a package configuration file provided by "TBB" with any of the following names: TBB.cps tbb.cps TBBConfig.cmake tbb-config.cmake Add the installation prefix of "TBB" to CMAKE_PREFIX_PATH or set "TBB_DIR" to a directory containing one of the above files. If "TBB" provides a separate development package or SDK, be sure it has been installed. -- Found Python3: /usr/bin/python3 (found version "3.14.6") found components: Interpreter -- Found PkgConfig: /usr/bin/x86_64-linux-gnu-pkg-config (found version "2.5.1") -- Found Cairo: /usr/include/cairo -- Found Freetype: /usr/lib/x86_64-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:313 (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:313 (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:313 (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 (1.5s) -- Generating done (0.9s) 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 -- Build files have been written to: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu 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 15.3.0 -- The CXX compiler identification is GNU 15.3.0 -- 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/x86_64-linux-gnu/libpq.so (found version "18.4") postgres: /usr/include/postgresql;/usr/include/postgresql/18/server CMake Warning (dev) at CMakeLists.txt:313 (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:313 (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:313 (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 (0.4s) -- Generating done (0.0s) -- Build files have been written to: /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18 make[1]: Leaving directory '/build/reproducible-path/rdkit-202603.4' debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/rdkit-202603.4' dh_auto_build cd obj-x86_64-linux-gnu && make -j6 INSTALL="install --strip-program=true" VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/rdkit-202603.4 -B/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[3]: Entering directory 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/build/reproducible-path/rdkit-202603.4/Code/ML/Cluster/Murtagh/hcdriver.c [ 1%] Linking C shared library ../../../../lib/libRDKithc.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/hc.dir/link.txt --verbose=1 [ 1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_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_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RDLog.cpp.o -MF CMakeFiles/RDGeneral.dir/RDLog.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDLog.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDLog.cpp /usr/bin/x86_64-linux-gnu-gcc -fPIC -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -shared -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/hc.dir/link.d -Wl,-soname,libRDKithc.so.1 -o ../../../../lib/libRDKithc.so.1.2026.03.4 CMakeFiles/hc.dir/hc.c.o CMakeFiles/hc.dir/hcdriver.c.o /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_symlink_library ../../../../lib/libRDKithc.so.1.2026.03.4 ../../../../lib/libRDKithc.so.1 ../../../../lib/libRDKithc.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 1%] Built target hc [ 1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_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_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/LocaleSwitcher.cpp.o -MF CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o.d -o CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/LocaleSwitcher.cpp [ 1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_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_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/RDGeneral/versions.cpp [ 2%] Linking CXX shared library ../../lib/libRDKitRDStreams.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDStreams && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDStreams.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/RDStreams.dir/streams.cpp.o /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDStreams && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDStreams.so.1.2026.03.4 ../../lib/libRDKitRDStreams.so.1 ../../lib/libRDKitRDStreams.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 2%] Linking CXX shared library ../../lib/libRDKitga.so [ 2%] Built target RDStreams cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/GA && /usr/bin/cmake -E cmake_link_script CMakeFiles/ga.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 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/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/GA && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitga.so.1.2026.03.4 ../../lib/libRDKitga.so.1 ../../lib/libRDKitga.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 2%] Built target ga [ 2%] Linking CXX shared library ../../lib/libRDKitRDGeneral.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeneral.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 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/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeneral.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1 ../../lib/libRDKitRDGeneral.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 2%] 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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/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/DependInfo.cmake "--color=" EigenSolvers make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/RDBoost /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDBoost /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDBoost/CMakeFiles/RDBoost.dir/DependInfo.cmake "--color=" RDBoost make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/RDGeneral /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testDict.dir/DependInfo.cmake "--color=" testDict make -f Code/RDGeneral/CMakeFiles/testRDValue.dir/build.make Code/RDGeneral/CMakeFiles/testRDValue.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/RDGeneral /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testRDValue.dir/DependInfo.cmake "--color=" testRDValue make -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/RDGeneral /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/DependInfo.cmake "--color=" testConcurrentQueue make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make Code/RDGeneral/CMakeFiles/testDict.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/RDGeneral/CMakeFiles/testRDValue.dir/build.make Code/RDGeneral/CMakeFiles/testRDValue.dir/build [ 2%] Building CXX object Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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 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-DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/RDGeneral/testDict.cpp cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDBoost && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_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/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-202603.4/Code/RDBoost/Wrap.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/x86_64-linux-gnu-g++ -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 -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 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../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1 ../../../lib/libRDKitEigenSolvers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 2%] Built target EigenSolvers [ 2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK 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/usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDBoost && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../lib/libRDKitRDBoost.so.1 ../../lib/libRDKitRDBoost.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 2%] Built target RDBoost [ 3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/x86_64-linux-gnu-g++ -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 -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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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/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-202603.4/Code/RDGeneral/catch_logs.cpp [ 3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/x86_64-linux-gnu-g++ -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 -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 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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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/DataStructs/DiscreteDistMat.cpp [ 3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o cd 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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/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/DataStructs/DiscreteValueVect.cpp [ 3%] Linking CXX executable testRDValue cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDValue.dir/link.txt --verbose=1 [ 3%] Linking CXX executable dictTestsCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/dictTestsCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MultiFPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/DataStructs/MultiFPBReader.cpp /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o -MF CMakeFiles/testMatrices.dir/testMatrices.cpp.o.d -o CMakeFiles/testMatrices.dir/testMatrices.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Numerics/testMatrices.cpp /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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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/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-202603.4/Code/SimDivPickers/MaxMinPicker.cpp [ 5%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS 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../../lib/libRDKitDataStructs.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/DataStructs.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 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.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1 ../../lib/libRDKitDataStructs.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 5%] Built target DataStructs make -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/depend make[4]: Entering directory 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object Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdMetricMatrixCalc_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -MF CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o.d -o CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/DataManip/MetricMatrixCalc/Wrap/rdMetricMatrixCalc.cpp [ 5%] Linking CXX executable testMatrices cd 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-DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o -MF CMakeFiles/Clustering.dir/Clustering.cpp.o.d -o CMakeFiles/Clustering.dir/Clustering.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/ML/Cluster/Murtagh/Clustering.cpp [ 5%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/SimDivPickers.dir/link.txt --verbose=1 [ 5%] Linking CXX executable testMatCalc cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatCalc.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/SimDivPickers.dir/link.d -Wl,-soname,libRDKitSimDivPickers.so.1 -o ../../lib/libRDKitSimDivPickers.so.1.2026.03.4 CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o ../../lib/libRDKithc.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitSimDivPickers.so.1.2026.03.4 ../../lib/libRDKitSimDivPickers.so.1 ../../lib/libRDKitSimDivPickers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 5%] Built target SimDivPickers make -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/ML/InfoTheory /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/InfoTheory /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/DependInfo.cmake "--color=" InfoTheory make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 5%] Building CXX object Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/x86_64-linux-gnu-g++ -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 -DInfoTheory_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_INFOTHEORY_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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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/usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 5%] Built target testMatCalc make -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/Geometry /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/RDGeometryLib.dir/DependInfo.cmake "--color=" RDGeometryLib make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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-I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/Geometry/point.cpp [ 6%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/x86_64-linux-gnu-g++ -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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CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Geometry/Transform2D.cpp [ 6%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_link_script CMakeFiles/InfoTheory.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/InfoTheory.dir/link.d -Wl,-soname,libRDKitInfoTheory.so.1 -o ../../../lib/libRDKitInfoTheory.so.1.2026.03.4 CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitInfoTheory.so.1.2026.03.4 ../../../lib/libRDKitInfoTheory.so.1 ../../../lib/libRDKitInfoTheory.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 6%] Built target InfoTheory [ 6%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Transform3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Geometry/Transform3D.cpp [ 6%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/Clustering.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/Clustering.dir/link.d -o ../../../../rdkit/ML/Cluster/Clustering.so CMakeFiles/Clustering.dir/Clustering.cpp.o ../../../../lib/libRDKithc.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 6%] Built target Clustering [ 6%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/UniformGrid3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Geometry/UniformGrid3D.cpp [ 6%] Linking CXX executable testQuery cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Query && /usr/bin/cmake -E cmake_link_script CMakeFiles/testQuery.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 6%] Built target testQuery make -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/DataStructs /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/testDataStructs.dir/DependInfo.cmake "--color=" testDataStructs make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 6%] Building CXX object Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/DataStructs/testDatastructs.cpp [ 6%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMetricMatrixCalc.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMetricMatrixCalc.dir/link.d -o ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 6%] Built target rdMetricMatrixCalc [ 6%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/x86_64-linux-gnu-g++ -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 -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 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-fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/DataStructs.cpp.o -MF CMakeFiles/cDataStructs.dir/DataStructs.cpp.o.d -o CMakeFiles/cDataStructs.dir/DataStructs.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/DataStructs/Wrap/DataStructs.cpp [ 6%] Linking CXX executable catchDataStructs cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/catchDataStructs.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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8%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o -MF CMakeFiles/rdGeometry.dir/Point.cpp.o.d -o CMakeFiles/rdGeometry.dir/Point.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Geometry/Wrap/Point.cpp [ 8%] Linking CXX executable geometryTestsCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/geometryTestsCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 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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/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o -MF CMakeFiles/testConrec.dir/testConrec.cpp.o.d -o CMakeFiles/testConrec.dir/testConrec.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Numerics/testConrec.cpp [ 8%] Linking CXX executable testRealValueGrid cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRealValueGrid.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testRealValueGrid.dir/link.d CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -o testRealValueGrid ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/libCatch2.a -ldl /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 8%] Built target testRealValueGrid make -f Code/Features/CMakeFiles/testBaseFeatures.dir/build.make Code/Features/CMakeFiles/testBaseFeatures.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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/usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 8%] Built target testDataStructs [ 8%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD 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../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 8%] Built target testBaseFeatures [ 8%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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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CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/DataStructs/Wrap/wrap_SparseBV.cpp [ 8%] Linking CXX shared module ../../../rdkit/rdBase.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdBase.dir/link.txt --verbose=1 [ 8%] Linking CXX executable testConrec cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConrec.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 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Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External 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-ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -MF CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Geometry/Wrap/UniformGrid3D.cpp [ 8%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB 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-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-202603.4/Code/DataStructs/Wrap/wrap_BitOps.cpp [ 8%] Linking CXX executable testSimDivPickers cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSimDivPickers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 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-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-202603.4/Code/DataStructs/Wrap/wrap_FPB.cpp [ 9%] Linking CXX executable pickersTestsCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickersTestsCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/pickersTestsCatch.dir/link.d 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make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/ML/Data /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/Data /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/Data/CMakeFiles/cQuantize.dir/DependInfo.cmake "--color=" cQuantize make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/ML/Data/CMakeFiles/cQuantize.dir/build.make Code/ML/Data/CMakeFiles/cQuantize.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o cd 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/usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o -MF CMakeFiles/cQuantize.dir/cQuantize.cpp.o.d -o CMakeFiles/cQuantize.dir/cQuantize.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/ML/Data/cQuantize.cpp [ 10%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeometry.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection 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/usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Built target rdGeometry make -f Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/ChemicalFeatures /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures 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/usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Atom.cpp.o -MF CMakeFiles/GraphMol.dir/Atom.cpp.o.d -o CMakeFiles/GraphMol.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Atom.cpp [ 10%] Linking CXX shared library ../../lib/libRDKitChemicalFeatures.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitChemicalFeatures.so.1.2026.03.4 ../../lib/libRDKitChemicalFeatures.so.1 ../../lib/libRDKitChemicalFeatures.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Built target ChemicalFeatures make -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/Alignment.dir/depend make[4]: Entering directory 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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/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-202603.4/Code/Numerics/Alignment/AlignPoints.cpp [ 10%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/QueryAtom.cpp.o -MF CMakeFiles/GraphMol.dir/QueryAtom.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/QueryAtom.cpp [ 10%] Linking CXX shared module ../../../rdkit/SimDivFilters/rdSimDivPickers.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSimDivPickers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSimDivPickers.dir/link.d -o ../../../rdkit/SimDivFilters/rdSimDivPickers.so CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o ../../../lib/libRDKitSimDivPickers.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../lib/libRDKithc.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Built target rdSimDivPickers make -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/ChemicalFeatures /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/DependInfo.cmake "--color=" testChemicalFeatures make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Building CXX object Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -MF CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o.d -o CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/ChemicalFeatures/testChemicalFeatures.cpp [ 10%] Linking CXX shared library ../../../lib/libRDKitAlignment.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/Alignment.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/Alignment.dir/AlignPoints.cpp.o ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1 ../../../lib/libRDKitAlignment.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Built target Alignment make -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/Numerics/Alignment /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Alignment /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/DependInfo.cmake "--color=" testAlignment make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Building CXX object Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o -MF CMakeFiles/testAlignment.dir/testAlignment.cpp.o.d -o CMakeFiles/testAlignment.dir/testAlignment.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Numerics/Alignment/testAlignment.cpp [ 10%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/Data && /usr/bin/cmake -E cmake_link_script CMakeFiles/cQuantize.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/cQuantize.dir/link.d -o ../../../rdkit/ML/Data/cQuantize.so CMakeFiles/cQuantize.dir/cQuantize.cpp.o ../../../lib/libRDKitInfoTheory.so.1.2026.03.4 ../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Built target cQuantize make -f 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directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdAlignment_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -MF CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o.d -o CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Numerics/Alignment/Wrap/rdAlignment.cpp [ 10%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdInfoTheory.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdInfoTheory.dir/link.d -o ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o ../../../../lib/libRDKitInfoTheory.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Built target rdInfoTheory [ 10%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/QueryBond.cpp.o -MF CMakeFiles/GraphMol.dir/QueryBond.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryBond.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/QueryBond.cpp [ 10%] Linking CXX executable testChemicalFeatures cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testChemicalFeatures.dir/link.d CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -o testChemicalFeatures ../RDGeneral/librdkitCatch.a ../../lib/libRDKitChemicalFeatures.so.1.2026.03.4 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Built target testChemicalFeatures [ 10%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT 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'/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Built target testAlignment [ 10%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ROMol.cpp.o -MF CMakeFiles/GraphMol.dir/ROMol.cpp.o.d -o CMakeFiles/GraphMol.dir/ROMol.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ROMol.cpp [ 10%] Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAlignment.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time 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/usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 10%] Built target rdAlignment [ 10%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RWMol.cpp.o -MF CMakeFiles/GraphMol.dir/RWMol.cpp.o.d -o CMakeFiles/GraphMol.dir/RWMol.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RWMol.cpp [ 10%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/PeriodicTable.cpp.o -MF CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o.d -o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/PeriodicTable.cpp /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FindRings.cpp: In function ‘void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&, bool, bool)’: /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FindRings.cpp:1218:36: warning: unused parameter ‘mol’ [-Wunused-parameter] 1218 | void findRingFamilies(const ROMol &mol, bool includeDativeBonds, | ~~~~~~~~~~~~~^~~ /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FindRings.cpp:1218:46: warning: unused parameter ‘includeDativeBonds’ [-Wunused-parameter] 1218 | void findRingFamilies(const ROMol &mol, bool includeDativeBonds, | ~~~~~^~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FindRings.cpp:1219:28: warning: unused parameter ‘includeHydrogenBonds’ [-Wunused-parameter] 1219 | bool includeHydrogenBonds) { | ~~~~~^~~~~~~~~~~~~~~~~~~~ [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/atomic_data.cpp.o -MF CMakeFiles/GraphMol.dir/atomic_data.cpp.o.d -o CMakeFiles/GraphMol.dir/atomic_data.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/atomic_data.cpp [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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 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/usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolPickler.cpp.o -MF CMakeFiles/GraphMol.dir/MolPickler.cpp.o.d -o CMakeFiles/GraphMol.dir/MolPickler.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolPickler.cpp [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Canon.cpp.o -MF CMakeFiles/GraphMol.dir/Canon.cpp.o.d -o CMakeFiles/GraphMol.dir/Canon.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Canon.cpp [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/AtomIterators.cpp.o -MF CMakeFiles/GraphMol.dir/AtomIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/AtomIterators.cpp [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/BondIterators.cpp.o -MF CMakeFiles/GraphMol.dir/BondIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/BondIterators.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/BondIterators.cpp [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Aromaticity.cpp.o -MF CMakeFiles/GraphMol.dir/Aromaticity.cpp.o.d -o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Aromaticity.cpp [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Kekulize.cpp [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ConjugHybrid.cpp.o -MF CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o.d -o CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ConjugHybrid.cpp [ 11%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/AddHs.cpp.o -MF CMakeFiles/GraphMol.dir/AddHs.cpp.o.d -o CMakeFiles/GraphMol.dir/AddHs.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/AddHs.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Matrices.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Chirality.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/RingInfo.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Conformer.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Renumber.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/AdjustQuery.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Resonance.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/StereoGroup.cpp.o -MF CMakeFiles/GraphMol.dir/StereoGroup.cpp.o.d -o CMakeFiles/GraphMol.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StereoGroup.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/new_canon.cpp.o cd 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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/CMakeFiles/GraphMol.dir/new_canon.cpp.o -MF CMakeFiles/GraphMol.dir/new_canon.cpp.o.d -o CMakeFiles/GraphMol.dir/new_canon.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/new_canon.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/SubstanceGroup.cpp.o -MF CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstanceGroup.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindStereo.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/FindStereo.cpp.o -MF CMakeFiles/GraphMol.dir/FindStereo.cpp.o.d -o CMakeFiles/GraphMol.dir/FindStereo.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FindStereo.cpp [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MonomerInfo.cpp.o -MF CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o.d -o CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MonomerInfo.cpp [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB 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CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o.d -o CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/NontetrahedralStereo.cpp [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Atropisomers.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Atropisomers.cpp.o -MF CMakeFiles/GraphMol.dir/Atropisomers.cpp.o.d -o CMakeFiles/GraphMol.dir/Atropisomers.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Atropisomers.cpp [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/WedgeBonds.cpp.o -MF CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o.d -o CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/WedgeBonds.cpp [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolProps.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolProps.cpp [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Subset.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Subset.cpp [ 13%] Linking CXX shared library ../../lib/libRDKitGraphMol.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/GraphMol.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/GraphMol.dir/link.d -Wl,-soname,libRDKitGraphMol.so.1 -o ../../lib/libRDKitGraphMol.so.1.2026.03.4 CMakeFiles/GraphMol.dir/Atom.cpp.o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o CMakeFiles/GraphMol.dir/QueryBond.cpp.o CMakeFiles/GraphMol.dir/Bond.cpp.o CMakeFiles/GraphMol.dir/MolOps.cpp.o CMakeFiles/GraphMol.dir/FindRings.cpp.o CMakeFiles/GraphMol.dir/ROMol.cpp.o CMakeFiles/GraphMol.dir/RWMol.cpp.o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o CMakeFiles/GraphMol.dir/atomic_data.cpp.o CMakeFiles/GraphMol.dir/QueryOps.cpp.o CMakeFiles/GraphMol.dir/MolPickler.cpp.o CMakeFiles/GraphMol.dir/Canon.cpp.o CMakeFiles/GraphMol.dir/AtomIterators.cpp.o CMakeFiles/GraphMol.dir/BondIterators.cpp.o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o CMakeFiles/GraphMol.dir/Kekulize.cpp.o CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o CMakeFiles/GraphMol.dir/AddHs.cpp.o CMakeFiles/GraphMol.dir/Matrices.cpp.o CMakeFiles/GraphMol.dir/Chirality.cpp.o CMakeFiles/GraphMol.dir/RingInfo.cpp.o CMakeFiles/GraphMol.dir/Conformer.cpp.o CMakeFiles/GraphMol.dir/Renumber.cpp.o CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o CMakeFiles/GraphMol.dir/Resonance.cpp.o CMakeFiles/GraphMol.dir/StereoGroup.cpp.o CMakeFiles/GraphMol.dir/new_canon.cpp.o CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o CMakeFiles/GraphMol.dir/FindStereo.cpp.o CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o 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.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../lib/libRDKitGraphMol.so.1 ../../lib/libRDKitGraphMol.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 13%] Built target GraphMol make -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/depend make -f 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/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/DependInfo.cmake "--color=" PartialCharges make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SmilesParse/SmilesParse.cpp cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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 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-I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -MF CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o.d -o CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolTransforms/MolTransforms.cpp [ 14%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/GenericGroups/GenericGroups.cpp [ 14%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Subgraphs/Subgraphs.cpp [ 14%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CIPLabeler.cpp.o -MF CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o.d -o CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/CIPLabeler.cpp [ 14%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Subgraphs/SubgraphUtils.cpp [ 14%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/PartialCharges/GasteigerParams.cpp [ 14%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/GenericGroups.dir/link.d -Wl,-soname,libRDKitGenericGroups.so.1 -o ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 14%] Built target GenericGroups [ 14%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Mancude.cpp.o -MF CMakeFiles/CIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Mancude.cpp [ 14%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SmilesParse/SmilesParseOps.cpp [ 15%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/PartialCharges.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 15%] Built target PartialCharges [ 15%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/SmilesWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmilesWrite.cpp [ 15%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 15%] Built target MolTransforms [ 15%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Digraph.cpp.o -MF CMakeFiles/CIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Digraph.cpp [ 15%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Node.cpp.o -MF CMakeFiles/CIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Node.cpp [ 15%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Subgraphs.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/Subgraphs.dir/link.d -Wl,-soname,libRDKitSubgraphs.so.1 -o ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 15%] Built target Subgraphs make -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/DependInfo.cmake "--color=" Trajectory make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 15%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_TRAJECTORY_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 -DTrajectory_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o -MF CMakeFiles/Trajectory.dir/Trajectory.cpp.o.d -o CMakeFiles/Trajectory.dir/Trajectory.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Trajectory/Trajectory.cpp [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Edge.cpp.o -MF CMakeFiles/CIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Edge.cpp [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/CIPLabeler/Sort.cpp make -f Code/GraphMol/CMakeFiles/molrangesTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molrangesTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/molrangesTestsCatch.dir/DependInfo.cmake "--color=" molrangesTestsCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/CMakeFiles/molrangesTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molrangesTestsCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 16%] Building CXX object Code/GraphMol/CMakeFiles/molrangesTestsCatch.dir/catch_molranges.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/molrangesTestsCatch.dir/catch_molranges.cpp.o -MF CMakeFiles/molrangesTestsCatch.dir/catch_molranges.cpp.o.d -o CMakeFiles/molrangesTestsCatch.dir/catch_molranges.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/catch_molranges.cpp [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/configs/Configuration.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/Configuration.cpp make -f Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/tableTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/tableTestsCatch.dir/DependInfo.cmake "--color=" tableTestsCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 16%] Building CXX object Code/GraphMol/CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/tableTestsCatch.dir/catch_periodictable.cpp.o -MF CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o.d -o CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/catch_periodictable.cpp [ 16%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/Trajectory.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/Trajectory.dir/Trajectory.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitTrajectory.so.1 ../../../lib/libRDKitTrajectory.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 16%] Built target Trajectory [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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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CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/configs/Tetrahedral.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp [ 16%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK 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Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmartsWrite.cpp [ 16%] Linking CXX executable tableTestsCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/tableTestsCatch.dir/link.txt --verbose=1 [ 16%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CXSmilesOps.cpp.o -MF CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/CXSmilesOps.cpp [ 16%] Linking CXX executable molrangesTestsCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molrangesTestsCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/tableTestsCatch.dir/link.d CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -o tableTestsCatch ../RDGeneral/librdkitCatch.a ../../lib/libRDKitGraphMol.so.1.2026.03.4 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 16%] Built target tableTestsCatch make -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap 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../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 16%] Built target molrangesTestsCatch [ 16%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/configs/AtropisomerBond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp [ 16%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdPartialCharges.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 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/usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 16%] Built target rdPartialCharges make -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ShapeHelpers/ShapeEncoder.cpp [ 16%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesJSONParsers.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/SmilesJSONParsers.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesJSONParsers.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesJSONParsers.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmilesJSONParsers.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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 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CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog/MolCatalogEntry.cpp [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp [ 16%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_SHAPEHELPERS_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 -DShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp [ 16%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolTransforms.dir/link.d -o ../../../../rdkit/Chem/rdMolTransforms.so CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 16%] Built target rdMolTransforms 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 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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-202603.4/Code/GraphMol/MolInterchange/Parser.cpp [ 16%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_JSON_STATIC_LINK -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DMolInterchange_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERCHANGE_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Writer.cpp.o -MF CMakeFiles/MolInterchange.dir/Writer.cpp.o.d -o CMakeFiles/MolInterchange.dir/Writer.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInterchange/Writer.cpp [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ 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-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-202603.4/Code/GraphMol/CIPLabeler/rules/Rule2.cpp [ 16%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolCatalog/MolCatalogParams.cpp [ 16%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2026.03.4 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 16%] Built target ShapeHelpers [ 16%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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 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../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolCatalog.so.1.2026.03.4 ../../../lib/libRDKitMolCatalog.so.1 ../../../lib/libRDKitMolCatalog.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 16%] Built target MolCatalog make -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/depend make[4]: Entering directory 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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/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-202603.4/Code/GraphMol/SLNParse/SLNParse.cpp [ 18%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SmilesParse/smarts.tab.cpp [ 19%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o cd 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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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Rule4b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp make -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make 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Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -Drdqueries_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Wrap/rdqueries.cpp [ 19%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/rdTrajectory.cpp [ 19%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_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 -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/SLNParse/lex.yysln.cpp make -f Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build.make Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o -MF CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o.d -o CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/ChemicalFeatures/Wrap/rdChemicalFeatures.cpp [ 20%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdqueries.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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/usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 20%] Built target rdqueries [ 20%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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-202603.4/Code/ChemicalFeatures/Wrap/FreeChemicalFeature.cpp [ 20%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdtrajectory.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdtrajectory.dir/link.d -o ../../../rdkit/Chem/rdtrajectory.so CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 20%] Built target rdtrajectory make -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/DependInfo.cmake "--color=" SubstructMatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_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 -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Substruct/SubstructMatch.cpp [ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SmilesParse/lex.yysmiles.cpp [ 21%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SLNParse.dir/link.txt --verbose=1 [ 21%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/SLNParse.dir/link.d -Wl,-soname,libRDKitSLNParse.so.1 -o ../../../lib/libRDKitSLNParse.so.1.2026.03.4 CMakeFiles/SLNParse.dir/SLNParse.cpp.o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o CMakeFiles/SLNParse.dir/sln.tab.cpp.o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2026.03.4 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/MolInterchange.dir/Parser.cpp.o CMakeFiles/MolInterchange.dir/Writer.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2026.03.4 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Built target SLNParse make -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/DependInfo.cmake "--color=" Optimizer [ 21%] Built target MolInterchange [ 21%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_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 -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Substruct/SubstructUtils.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make 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Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/x86_64-linux-gnu-g++ -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 -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -MF CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o.d -o CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Numerics/Optimizer/BFGSOpt.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Building CXX object Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -MF CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o.d -o CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp [ 21%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/x86_64-linux-gnu-g++ -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 -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -MF CMakeFiles/Optimizer.dir/LinearSearch.cpp.o.d -o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Numerics/Optimizer/LinearSearch.cpp [ 21%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/Optimizer.dir/link.txt --verbose=1 [ 21%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/Optimizer.dir/link.d -Wl,-soname,libRDKitOptimizer.so.1 -o ../../../lib/libRDKitOptimizer.so.1.2026.03.4 CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../lib/libRDKitOptimizer.so.1 ../../../lib/libRDKitOptimizer.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Built target Optimizer make -f Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build.make Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/DependInfo.cmake "--color=" rdMolCatalog make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.cpp /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdChemicalFeatures.dir/link.d -o ../../../rdkit/Chem/rdChemicalFeatures.so CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o ../../../lib/libRDKitChemicalFeatures.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SmilesParse.dir/link.txt --verbose=1 [ 21%] Built target rdChemicalFeatures make -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/DependInfo.cmake "--color=" rdCIPLabeler make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdCIPLabeler_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -MF CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o.d -o CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/SmilesParse.dir/link.d -Wl,-soname,libRDKitSmilesParse.so.1 -o ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o CMakeFiles/SmilesParse.dir/SmilesJSONParsers.cpp.o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1 ../../../lib/libRDKitSmilesParse.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Built target SmilesParse 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/DependInfo.cmake "--color=" rdMolInterchange make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Building CXX object Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdMolInterchange_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -MF CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o.d -o CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp [ 21%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdShapeHelpers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdShapeHelpers.dir/link.d -o ../../../../rdkit/Chem/rdShapeHelpers.so CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o ../../../../lib/libRDKitShapeHelpers.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Built target rdShapeHelpers make -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o -MF CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o.d -o CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SLNParse/Wrap/rdSLNParse.cpp 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/Numerics/Optimizer 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-DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -MF CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o.d -o 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Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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 -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ForceField.cpp.o -MF CMakeFiles/ForceField.dir/ForceField.cpp.o.d -o CMakeFiles/ForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/ForceField/ForceField.cpp [ 21%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCIPLabeler.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdCIPLabeler.dir/link.d -o ../../../../rdkit/Chem/rdCIPLabeler.so CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o ../../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Built target rdCIPLabeler make -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolcpTest.dir/DependInfo.cmake "--color=" graphmolcpTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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-isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/cptest.cpp [ 21%] Linking CXX shared module ../../../../rdkit/Chem/rdMolInterchange.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolInterchange.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolInterchange.dir/link.d -o ../../../../rdkit/Chem/rdMolInterchange.so CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o ../../../../lib/libRDKitMolInterchange.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Built target rdMolInterchange [ 21%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/FiniteDifference.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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 -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/ForceField/FiniteDifference.cpp [ 21%] Linking CXX executable testOptimizer cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/testOptimizer.dir/link.txt --verbose=1 [ 21%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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 -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/ForceField/AngleConstraint.cpp /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 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/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake "--color=" graphmolqueryTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ 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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-202603.4/Code/GraphMol/querytest.cpp [ 21%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSLNParse.dir/link.d -o 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Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/itertest.cpp [ 21%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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 -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/ForceField/AngleConstraints.cpp [ 21%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolCatalog.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolCatalog.dir/link.d -o ../../../../rdkit/Chem/rdMolCatalog.so CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o ../../../../lib/libRDKitMolCatalog.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitCatalogs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 21%] Built target rdMolCatalog make -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake 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-DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/memtest1.cpp [ 22%] Linking CXX executable graphmolcpTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolcpTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/graphmolcpTest.dir/link.d CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -o graphmolcpTest ../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 22%] Built target graphmolcpTest make -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 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Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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 -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat 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Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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 -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/PositionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/PositionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/ForceField/PositionConstraint.cpp [ 23%] Linking CXX executable graphmolIterTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolIterTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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target graphmolMemTest1 [ 23%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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 -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong 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Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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 -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/UFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Nonbonded.cpp [ 23%] Linking CXX executable moliteratorTestsCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/moliteratorTestsCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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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../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 24%] Built target smiTest2 [ 24%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/x86_64-linux-gnu-g++ -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 -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT 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/usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 24%] Built target queryTestsCatch [ 24%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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 -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_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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Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Utils.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Utils.cpp [ 24%] Linking CXX executable molbundleTestsCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molbundleTestsCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/molbundleTestsCatch.dir/link.d CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -o molbundleTestsCatch ../RDGeneral/librdkitCatch.a 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-Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/ForceField/MMFF/OopBend.cpp [ 26%] Linking CXX executable v2smiTestCatch [ 26%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2smiTestCatch.dir/link.txt --verbose=1 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 26%] Built target v2smiTestCatch [ 26%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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 -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_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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-Wformat -Werror=format-security -fcf-protection -Wdate-time -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/FilterMatchers.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/FilterMatchers.cpp [ 26%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/x86_64-linux-gnu-g++ -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 -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD 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"--color=" subgraphsCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 27%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/DependInfo.cmake "--color=" FragCatalog make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 27%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/x86_64-linux-gnu-g++ -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 -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 -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp [ 27%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FilterCatalog.dir/link.txt --verbose=1 [ 27%] Linking CXX executable testSubgraphs1 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && 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../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testSubgraphs1.dir/link.d CMakeFiles/testSubgraphs1.dir/testSubgraphs1.cpp.o -o testSubgraphs1 ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 27%] Built target FilterCatalog [ 27%] Built target testSubgraphs1 [ 27%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/x86_64-linux-gnu-g++ -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 -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 -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragCatGenerator.cpp [ 27%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/x86_64-linux-gnu-g++ -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 -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 -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp [ 27%] Linking CXX shared library ../../lib/libRDKitForceField.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1 [ 28%] Linking CXX executable subgraphsCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/subgraphsCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 28%] Built target subgraphsCatch make -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/DependInfo.cmake "--color=" testPartialCharges make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 28%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/PartialCharges/test1.cpp /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 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.1.2026.03.4 ../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake 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-I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp [ 30%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/x86_64-linux-gnu-g++ 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../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 30%] Built target testPartialCharges [ 30%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o -c 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-DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/GaussianShape/CMakeFiles/GaussianShape.dir/GaussianShape.cpp.o -MF CMakeFiles/GaussianShape.dir/GaussianShape.cpp.o.d -o CMakeFiles/GaussianShape.dir/GaussianShape.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/GaussianShape.cpp 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/DependInfo.cmake "--color=" ReducedGraphs make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 30%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_REDUCEDGRAPHS_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 -DReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/ReducedGraphs/ReducedGraphs.cpp [ 30%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/FragCatalog.dir/link.d -Wl,-soname,libRDKitFragCatalog.so.1 -o ../../../lib/libRDKitFragCatalog.so.1.2026.03.4 CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2026.03.4 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 30%] Built target FragCatalog 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/DependInfo.cmake "--color=" testSLNParse make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/DependInfo.cmake "--color=" Abbreviations [ 31%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SLNParse/test.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 31%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/x86_64-linux-gnu-g++ -DAbbreviations_EXPORTS -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 -DRDKIT_ABBREVIATIONS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o -MF CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o.d -o CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Abbreviations/Abbreviations.cpp [ 31%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/x86_64-linux-gnu-g++ -DAbbreviations_EXPORTS -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 -DRDKIT_ABBREVIATIONS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -MF CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o.d -o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Abbreviations/AbbreviationsUtils.cpp [ 31%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/ReducedGraphs.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/ReducedGraphs.dir/link.d -Wl,-soname,libRDKitReducedGraphs.so.1 -o ../../../lib/libRDKitReducedGraphs.so.1.2026.03.4 CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitReducedGraphs.so.1.2026.03.4 ../../../lib/libRDKitReducedGraphs.so.1 ../../../lib/libRDKitReducedGraphs.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 31%] Built target ReducedGraphs [ 31%] Building CXX object Code/GraphMol/GaussianShape/CMakeFiles/GaussianShape.dir/ShapeInput.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GaussianShape && /usr/bin/x86_64-linux-gnu-g++ -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 -DGaussianShape_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GAUSSIANSHAPE_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/GaussianShape/CMakeFiles/GaussianShape.dir/ShapeInput.cpp.o -MF CMakeFiles/GaussianShape.dir/ShapeInput.cpp.o.d -o CMakeFiles/GaussianShape.dir/ShapeInput.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/ShapeInput.cpp [ 31%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 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.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2026.03.4 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 31%] Built target MolChemicalFeatures [ 31%] Building CXX object Code/GraphMol/GaussianShape/CMakeFiles/GaussianShape.dir/SingleConformerAlignment.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GaussianShape && /usr/bin/x86_64-linux-gnu-g++ -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 -DGaussianShape_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GAUSSIANSHAPE_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/GaussianShape/CMakeFiles/GaussianShape.dir/SingleConformerAlignment.cpp.o -MF 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'/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 31%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolAlign.dir/AlignMolecules.cpp.o -MF CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o.d -o CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign/AlignMolecules.cpp [ 31%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script 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../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2026.03.4 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 31%] Built target Abbreviations make -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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-isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp make -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix 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/usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp [ 31%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK 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-std=gnu++20 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/PatternFingerprints.cpp [ 31%] Linking CXX executable testSLNParse cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSLNParse.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testSLNParse.dir/link.d CMakeFiles/testSLNParse.dir/test.cpp.o -o 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'/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/DependInfo.cmake "--color=" rdMolChemicalFeatures make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 32%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp [ 32%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 32%] Built target MolAlign make -f Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/DependInfo.cmake "--color=" testReducedGraphs make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 32%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o -MF CMakeFiles/testReducedGraphs.dir/test1.cpp.o.d -o CMakeFiles/testReducedGraphs.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ReducedGraphs/test1.cpp [ 32%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp [ 32%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp [ 32%] Linking CXX shared library ../../../lib/libRDKitGaussianShape.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GaussianShape && /usr/bin/cmake -E cmake_link_script CMakeFiles/GaussianShape.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/GaussianShape.dir/GaussianShape.cpp.o CMakeFiles/GaussianShape.dir/ShapeInput.cpp.o CMakeFiles/GaussianShape.dir/SingleConformerAlignment.cpp.o ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitSimDivPickers.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl ../../../lib/libRDKithc.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GaussianShape && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGaussianShape.so.1.2026.03.4 ../../../lib/libRDKitGaussianShape.so.1 ../../../lib/libRDKitGaussianShape.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 32%] Built target GaussianShape [ 32%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp [ 32%] Linking CXX executable testReducedGraphs cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReducedGraphs.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testReducedGraphs.dir/link.d CMakeFiles/testReducedGraphs.dir/test1.cpp.o -o testReducedGraphs ../../../lib/libRDKitReducedGraphs.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 32%] Built target testReducedGraphs make -f Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/DependInfo.cmake "--color=" rdReducedGraphs make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 32%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK 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-fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/MorganFingerprints.cpp [ 32%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Abbreviations/Wrap/rdAbbreviations.cpp [ 33%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/x86_64-linux-gnu-g++ -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 -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 -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MHFP.cpp.o -MF CMakeFiles/Fingerprints.dir/MHFP.cpp.o.d -o CMakeFiles/Fingerprints.dir/MHFP.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/MHFP.cpp [ 33%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB 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Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp [ 33%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -MF 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/PlanarityContribs.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/PlanarityContribs.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/PlanarityContribs.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/PlanarityContribs.cpp [ 33%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o cd 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-Wformat -Werror=format-security -fcf-protection -Wdate-time -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/AtomPairGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp [ 33%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 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../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../lib/libRDKitForceFieldHelpers.so.1 ../../../lib/libRDKitForceFieldHelpers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 33%] Built target ForceFieldHelpers make -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make 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Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/x86_64-linux-gnu-g++ -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 -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RDDepictor.cpp.o -MF CMakeFiles/Depictor.dir/RDDepictor.cpp.o.d -o CMakeFiles/Depictor.dir/RDDepictor.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/RDDepictor.cpp [ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolChemicalFeatures.dir/link.d -o ../../../../rdkit/Chem/rdMolChemicalFeatures.so CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o ../../../../lib/libRDKitMolChemicalFeatures.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 33%] Built target rdMolChemicalFeatures [ 33%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/x86_64-linux-gnu-g++ -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 -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 -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MorganGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/MorganGenerator.cpp [ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 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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-202603.4/obj-x86_64-linux-gnu' [ 33%] Building CXX object External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/CoordGen/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -DIN_COORDGEN -DIN_MAEPARSER -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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shared module ../../../../rdkit/Chem/rdfiltercatalog.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfiltercatalog.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdfiltercatalog.dir/link.d -o ../../../../rdkit/Chem/rdfiltercatalog.so CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o ../../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitCatalogs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 33%] Built target rdfiltercatalog [ 33%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/x86_64-linux-gnu-g++ -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 -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/EmbeddedFrag.cpp.o -MF CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o.d -o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/EmbeddedFrag.cpp [ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/x86_64-linux-gnu-g++ -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 -DFingerprints_EXPORTS -DRDKIT_DYN_LINK 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-I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/DepictUtils.cpp.o -MF CMakeFiles/Depictor.dir/DepictUtils.cpp.o.d -o CMakeFiles/Depictor.dir/DepictUtils.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/DepictUtils.cpp [ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK 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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-202603.4/Code/GraphMol/Fingerprints/FingerprintUtil.cpp make -f Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build.make Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/ForceField /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/DependInfo.cmake "--color=" ForceFieldsCatch 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-DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/ForceField/catch_tests.cpp [ 35%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/CoordGen/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCoordGen.dir/link.txt --verbose=1 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../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 35%] Built target rdCoordGen make -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd 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Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -MF CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o.d -o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/DistGeom/TriangleSmooth.cpp [ 35%] Linking CXX executable ForceFieldsCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldsCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/ForceFieldsCatch.dir/link.d CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -o ForceFieldsCatch ../RDGeneral/librdkitCatch.a 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-isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/ForceField/Wrap/ForceField.cpp [ 35%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/x86_64-linux-gnu-g++ -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/TopologicalTorsionGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp make -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp [ 35%] Linking CXX shared library ../../../lib/libRDKitDepictor.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/Depictor.dir/link.txt --verbose=1 make -f Code/GraphMol/GaussianShape/Wrap/CMakeFiles/rdGaussianShape.dir/build.make Code/GraphMol/GaussianShape/Wrap/CMakeFiles/rdGaussianShape.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GaussianShape/Wrap 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-Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/GaussianShape/Wrap/CMakeFiles/rdGaussianShape.dir/rdGaussianShape.cpp.o -MF CMakeFiles/rdGaussianShape.dir/rdGaussianShape.cpp.o.d -o CMakeFiles/rdGaussianShape.dir/rdGaussianShape.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/Wrap/rdGaussianShape.cpp /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/Depictor.dir/link.d -Wl,-soname,libRDKitDepictor.so.1 -o ../../../lib/libRDKitDepictor.so.1.2026.03.4 CMakeFiles/Depictor.dir/RDDepictor.cpp.o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o CMakeFiles/Depictor.dir/DepictUtils.cpp.o CMakeFiles/Depictor.dir/Templates.cpp.o /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 35%] Built target Depictor [ 35%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/x86_64-linux-gnu-g++ -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 -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ChiralViolationContribs.cpp.o -MF CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o.d -o CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/DistGeom/ChiralViolationContribs.cpp make -f Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/DependInfo.cmake "--color=" MolInteractionFields make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 35%] Building CXX object Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolInteractionFields_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERACTIONFIELDS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o -MF CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o.d -o CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInteractionFields/MIFDescriptors.cpp [ 36%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeometry.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/DistGeometry.dir/link.d -Wl,-soname,libRDKitDistGeometry.so.1 -o ../../lib/libRDKitDistGeometry.so.1.2026.03.4 CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o ../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../lib/libRDKitForceField.so.1.2026.03.4 ../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDistGeometry.so.1.2026.03.4 ../../lib/libRDKitDistGeometry.so.1 ../../lib/libRDKitDistGeometry.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Built target DistGeometry make -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/External/INCHI-API /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/INCHI-API /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/INCHI-API/CMakeFiles/RDInchiLib.dir/DependInfo.cmake "--color=" RDInchiLib make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Building CXX object External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDInchiLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDINCHILIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_INCHI_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o -MF CMakeFiles/RDInchiLib.dir/inchi.cpp.o.d -o CMakeFiles/RDInchiLib.dir/inchi.cpp.o -c /build/reproducible-path/rdkit-202603.4/External/INCHI-API/inchi.cpp [ 36%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/Fingerprints.dir/link.d -Wl,-soname,libRDKitFingerprints.so.1 -o ../../../lib/libRDKitFingerprints.so.1.2026.03.4 CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o CMakeFiles/Fingerprints.dir/MACCS.cpp.o CMakeFiles/Fingerprints.dir/MHFP.cpp.o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Built target Fingerprints make -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/DependInfo.cmake "--color=" ChemTransforms make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/x86_64-linux-gnu-g++ -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 -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ChemTransforms.cpp.o -MF CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o.d -o CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms/ChemTransforms.cpp [ 36%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdForceFieldHelpers.dir/link.d -o ../../../../rdkit/Chem/rdForceFieldHelpers.so CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Built target rdForceFieldHelpers make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu 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-DBOOST_SERIALIZATION_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp [ 36%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceField.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdForceField.dir/link.d -o ../../../rdkit/ForceField/rdForceField.so CMakeFiles/rdForceField.dir/ForceField.cpp.o ../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Built target rdForceField make -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/DistGeom /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom/CMakeFiles/testDistGeom.dir/DependInfo.cmake "--color=" testDistGeom make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -MF CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o.d -o CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/DistGeom/testDistGeom.cpp [ 36%] Linking CXX shared library ../../../lib/libRDKitMolInteractionFields.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInteractionFields.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o ../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInteractionFields.so.1.2026.03.4 ../../../lib/libRDKitMolInteractionFields.so.1 ../../../lib/libRDKitMolInteractionFields.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Built target MolInteractionFields make -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DependInfo.cmake "--color=" DistGeom make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -DDistGeom_EXPORTS -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o -MF CMakeFiles/DistGeom.dir/DistGeom.cpp.o.d -o CMakeFiles/DistGeom.dir/DistGeom.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/DistGeom/Wrap/DistGeom.cpp [ 36%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDInchiLib.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/RDInchiLib.dir/inchi.cpp.o /usr/lib/x86_64-linux-gnu/libinchi.so ../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../lib/libRDKitAlignment.so.1.2026.03.4 ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDInchiLib.so.1.2026.03.4 ../../lib/libRDKitRDInchiLib.so.1 ../../lib/libRDKitRDInchiLib.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Built target RDInchiLib make -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 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-Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -MF CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o.d -o CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp [ 36%] Linking CXX executable testDistGeom cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeom.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing 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/usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Built target testDistGeom [ 36%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/x86_64-linux-gnu-g++ -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 -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolFragmenter.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms/MolFragmenter.cpp [ 36%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK 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Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DistGeomHelpers/Embedder.cpp [ 36%] Linking CXX shared module ../../../../rdkit/Chem/rdGaussianShape.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GaussianShape/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGaussianShape.dir/link.txt --verbose=1 [ 36%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeom.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time 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/usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 36%] Built target DistGeom [ 37%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenterJSONParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/x86_64-linux-gnu-g++ -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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-DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time 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/usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 37%] Built target rdGaussianShape [ 37%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolZip.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/x86_64-linux-gnu-g++ -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 -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolZip.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolZip.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolZip.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms/MolZip.cpp [ 37%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDepictor.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDepictor.dir/link.d -o ../../../../rdkit/Chem/rdDepictor.so 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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/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-202603.4/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/DependInfo.cmake "--color=" MolHash make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 38%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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 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'/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/build.make Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 39%] Building CXX object Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/rdMIF.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInteractionFields/Wrap/rdMIF.cpp [ 39%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemTransforms.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o 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/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1 ../../../lib/libRDKitChemTransforms.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 39%] Built target ChemTransforms [ 39%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolHash/normalize.cpp [ 39%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/DistGeomHelpers.dir/link.d -Wl,-soname,libRDKitDistGeomHelpers.so.1 -o ../../../lib/libRDKitDistGeomHelpers.so.1.2026.03.4 CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitDistGeometry.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDistGeomHelpers.so.1.2026.03.4 ../../../lib/libRDKitDistGeomHelpers.so.1 ../../../lib/libRDKitDistGeomHelpers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 39%] Built target DistGeomHelpers 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/DependInfo.cmake "--color=" rdinchi make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 39%] Building CXX object External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -Drdinchi_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o -MF CMakeFiles/rdinchi.dir/pyInchi.cpp.o.d -o CMakeFiles/rdinchi.dir/pyInchi.cpp.o -c /build/reproducible-path/rdkit-202603.4/External/INCHI-API/Wrap/pyInchi.cpp In file included from /usr/include/c++/15/string:56, from /usr/include/boost/core/demangle.hpp:14, from /usr/include/boost/core/typeinfo.hpp:135, from /usr/include/boost/function/function_base.hpp:16, from /usr/include/boost/function/function_template.hpp:14, from /usr/include/boost/function/function0.hpp:10, from /usr/include/boost/python/errors.hpp:13, from /usr/include/boost/python/handle.hpp:11, from /usr/include/boost/python/args_fwd.hpp:10, from /usr/include/boost/python/args.hpp:10, from /usr/include/boost/python.hpp:11, from /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp:11: In member function ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::length() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:1176:20, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::basic_string(const std::__cxx11::basic_string<_CharT, _Traits, _Alloc>&) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:617:20, inlined from ‘ValueT boost::python::stl_input_iterator::dereference() const [with ValueT = std::__cxx11::basic_string]’ at /usr/include/boost/python/stl_iterator.hpp:48:61, inlined from ‘static typename Facade::reference boost::iterators::iterator_core_access::dereference(const Facade&) [with Facade = boost::python::stl_input_iterator >]’ at /usr/include/boost/iterator/iterator_facade.hpp:500:30, inlined from ‘boost::iterators::detail::iterator_facade_base::reference boost::iterators::detail::iterator_facade_base::operator*() const [with Derived = boost::python::stl_input_iterator >; Value = std::__cxx11::basic_string; CategoryOrTraversal = std::input_iterator_tag; Reference = std::__cxx11::basic_string; Difference = long int]’ at /usr/include/boost/iterator/iterator_facade.hpp:598:65, inlined from ‘constexpr void std::vector<_Tp, _Alloc>::_M_range_initialize(_InputIterator, _InputIterator, std::input_iterator_tag) [with _InputIterator = boost::python::stl_input_iterator >; _Tp = std::__cxx11::basic_string; _Alloc = std::allocator >]’ at /usr/include/c++/15/bits/stl_vector.h:1957:21, inlined from ‘constexpr std::vector<_Tp, _Alloc>::vector(_InputIterator, _InputIterator, const allocator_type&) [with _InputIterator = boost::python::stl_input_iterator >; = void; _Tp = std::__cxx11::basic_string; _Alloc = std::allocator >]’ at /usr/include/c++/15/bits/stl_vector.h:751:23, inlined from ‘std::vector RDKit::MHFPWrapper::ListToVector(const boost::python::api::object&) [with T = std::__cxx11::basic_string]’ at /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp:28:56: /usr/include/c++/15/bits/basic_string.h:1165:19: warning: ‘*(const std::__cxx11::basic_string, std::allocator >*)((char*)& + offsetof(boost::python::extract, std::allocator > >,boost::python::extract, std::allocator > >::.boost::python::converter::extract_rvalue, std::allocator > >::m_data.boost::python::converter::rvalue_from_python_data, std::allocator > >::.boost::python::converter::rvalue_from_python_storage, std::allocator > >::storage)).std::__cxx11::basic_string::_M_string_length’ may be used uninitialized [-Wmaybe-uninitialized] 1165 | size_type __sz = _M_string_length; | ^~~~ In file included from /usr/include/boost/python.hpp:66: /usr/include/boost/python/stl_iterator.hpp: In function ‘std::vector RDKit::MHFPWrapper::ListToVector(const boost::python::api::object&) [with T = std::__cxx11::basic_string]’: /usr/include/boost/python/stl_iterator.hpp:48:16: note: ‘’ declared here 48 | return extract(this->impl_.current().get())(); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ make -f Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/DependInfo.cmake "--color=" FileParsers make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 39%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CDXMLParser.cpp.o -MF CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o.d -o CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/CDXMLParser.cpp [ 39%] Linking CXX shared library ../../../lib/libRDKitMolHash.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/MolHash.dir/hashfunctions.cpp.o CMakeFiles/MolHash.dir/normalize.cpp.o ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2026.03.4 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 39%] Built target MolHash make -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/DependInfo.cmake "--color=" rdMolHash make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 40%] Building CXX object Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdMolHash_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -MF CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o.d -o CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp [ 40%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdinchi.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdinchi.dir/link.d -o ../../../rdkit/Chem/rdinchi.so CMakeFiles/rdinchi.dir/pyInchi.cpp.o ../../../lib/libRDKitRDInchiLib.so.1.2026.03.4 ../../../lib/libRDKitRDBoost.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libinchi.so ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 40%] Built target rdinchi [ 40%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection 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/usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 40%] Built target rdMHFPFingerprint [ 40%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolFileParser.cpp [ 40%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolHash.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolHash.dir/link.d -o ../../../../rdkit/Chem/rdMolHash.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o ../../../../lib/libRDKitMolHash.so.1.2026.03.4 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/usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 40%] Built target rdMolHash [ 40%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SCSRMolFileParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/SCSRMolFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/SCSRMolFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/SCSRMolFileParser.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/SCSRMolFileParser.cpp [ 40%] Linking CXX shared module ../../../../rdkit/Chem/rdMIF.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMIF.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMIF.dir/link.d -o ../../../../rdkit/Chem/rdMIF.so CMakeFiles/rdMIF.dir/rdMIF.cpp.o ../../../../lib/libRDKitMolInteractionFields.so.1.2026.03.4 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 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Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolSGroupParsing.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolSGroupParsing.cpp [ 40%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolSGroupWriting.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolSGroupWriting.cpp [ 40%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFingerprintGenerator.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFingerprintGenerator.dir/link.d -o ../../../../rdkit/Chem/rdFingerprintGenerator.so CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o 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make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 40%] Built target rdFingerprintGenerator [ 40%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External 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-I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/TplFileParser.cpp [ 41%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/PDBParser.cpp.o -MF CMakeFiles/FileParsers.dir/PDBParser.cpp.o.d -o CMakeFiles/FileParsers.dir/PDBParser.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/PDBParser.cpp [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBWriter.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBWriter.cpp.o -MF CMakeFiles/FileParsers.dir/PDBWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/PDBWriter.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/PDBWriter.cpp [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CMLWriter.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CMLWriter.cpp.o -MF CMakeFiles/FileParsers.dir/CMLWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/CMLWriter.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/CMLWriter.cpp [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK 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Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/XYZFileWriter.cpp [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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 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-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-202603.4/Code/GraphMol/FileParsers/MaeMolSupplier.cpp [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeWriter.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/MaeWriter.cpp [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o cd 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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/ProximityBonds.cpp.o -MF CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o.d -o CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/ProximityBonds.cpp [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/SequenceParsers.cpp.o -MF CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o.d -o CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/SequenceParsers.cpp [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/SequenceWriters.cpp [ 42%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/SVGParser.cpp [ 43%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PNGParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/PNGParser.cpp.o -MF CMakeFiles/FileParsers.dir/PNGParser.cpp.o.d -o CMakeFiles/FileParsers.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/PNGParser.cpp [ 43%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MultithreadedMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MultithreadedMolSupplier.cpp [ 43%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.cpp [ 43%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp [ 43%] Linking CXX shared library ../../../lib/libRDKitFileParsers.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/FileParsers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/FileParsers.dir/link.d -Wl,-soname,libRDKitFileParsers.so.1 -o ../../../lib/libRDKitFileParsers.so.1.2026.03.4 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 CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o CMakeFiles/FileParsers.dir/MaeWriter.cpp.o CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o CMakeFiles/FileParsers.dir/SVGParser.cpp.o CMakeFiles/FileParsers.dir/PNGParser.cpp.o CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1 ../../../lib/libRDKitFileParsers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 43%] Built target FileParsers make -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DependInfo.cmake "--color=" Descriptors make -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make External/CoordGen/CMakeFiles/testCoordGen.dir/depend make -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make 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/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/UFF /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/DependInfo.cmake "--color=" testUFFForceField make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/MMFF 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/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/DependInfo.cmake "--color=" graphmolMolOpsTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make External/CoordGen/CMakeFiles/testCoordGen.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/build [ 44%] Building CXX object External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/CoordGen && /usr/bin/x86_64-linux-gnu-g++ -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 -DIN_COORDGEN -DIN_MAEPARSER -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/External/CoordGen/test.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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-DBOOST_SERIALIZATION_NO_LIB -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/graphmolTest1.dir/test1.cpp.o -MF CMakeFiles/graphmolTest1.dir/test1.cpp.o.d -o CMakeFiles/graphmolTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/test1.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/UFF && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -MF CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o.d -o CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/testUFFForceField.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 44%] Building CXX object Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/MMFF && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/ForceField/MMFF/testMMFFForceField.cpp [ 44%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Crippen.cpp.o -MF CMakeFiles/Descriptors.dir/Crippen.cpp.o.d -o CMakeFiles/Descriptors.dir/Crippen.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Crippen.cpp [ 44%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o cd 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-DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Descriptors/BCUT.cpp [ 44%] Linking CXX executable testUFFForceField cd 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../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 44%] Built target testCoordGen [ 44%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/x86_64-linux-gnu-g++ -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 -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD 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-I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Descriptors/MolSurf.cpp [ 44%] Linking CXX executable graphmolTest1 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTest1.dir/link.txt --verbose=1 [ 44%] Linking CXX executable testMMFFForceField cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceField.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/graphmolTest1.dir/link.d CMakeFiles/graphmolTest1.dir/test1.cpp.o -o graphmolTest1 ../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../lib/libRDKitForceField.so.1.2026.03.4 ../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../lib/libRDKitMolAlign.so.1.2026.03.4 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/usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 44%] Built target testMMFFForceField [ 44%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/x86_64-linux-gnu-g++ -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 -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Lipinski.cpp [ 45%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp [ 45%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK 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/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/DependInfo.cmake "--color=" graphmoltestPicklerGlobalSetting make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 45%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD 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-I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Property.cpp.o -MF CMakeFiles/Descriptors.dir/Property.cpp.o.d -o CMakeFiles/Descriptors.dir/Property.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Property.cpp [ 45%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB 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/usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 46%] Built target graphmoltestPicklerGlobalSetting [ 46%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/x86_64-linux-gnu-g++ -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 -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT 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-I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/EEM.cpp.o -MF CMakeFiles/Descriptors.dir/EEM.cpp.o.d -o CMakeFiles/Descriptors.dir/EEM.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/EEM.cpp [ 46%] Linking CXX executable graphmoltestChirality cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestChirality.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Descriptors/PBF.cpp make -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd 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-fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/testSGroup.dir/testSGroup.cpp.o -MF CMakeFiles/testSGroup.dir/testSGroup.cpp.o.d -o CMakeFiles/testSGroup.dir/testSGroup.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/testSGroup.cpp [ 47%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/x86_64-linux-gnu-g++ -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 -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/PMI.cpp [ 47%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/AUTOCORR3D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/AUTOCORR3D.cpp [ 47%] Linking CXX executable resMolSupplierTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/resMolSupplierTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/graphmolTestsCatch.dir/catch_graphmol.cpp.o -MF CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o.d -o CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/catch_graphmol.cpp make -f Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd 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-o CMakeFiles/Descriptors.dir/WHIM.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/WHIM.cpp [ 47%] Linking CXX executable testSGroup cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSGroup.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testSGroup.dir/link.d CMakeFiles/testSGroup.dir/testSGroup.cpp.o -o testSGroup ../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 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Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time 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graphmolSGroupCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolSGroupCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/graphmolSGroupCatch.dir/link.d CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -o graphmolSGroupCatch ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../lib/libRDKitAlignment.so.1.2026.03.4 ../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 47%] Built target graphmolSGroupCatch [ 47%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CoulombMat.cpp.o -MF CMakeFiles/Descriptors.dir/CoulombMat.cpp.o.d -o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/CoulombMat.cpp [ 47%] Linking CXX executable graphmolAdjustQueryCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolAdjustQueryCatch.dir/link.txt --verbose=1 [ 47%] Linking CXX executable graphmolMolOpsTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/graphmolAdjustQueryCatch.dir/link.d CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -o graphmolAdjustQueryCatch ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../lib/libRDKitAlignment.so.1.2026.03.4 ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 47%] Built target graphmolAdjustQueryCatch make -f Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/DependInfo.cmake "--color=" chiralityTestsCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 47%] Building CXX object Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB 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../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../lib/libRDKitAlignment.so.1.2026.03.4 ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 47%] Built target graphmolMolOpsTest make -f Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/canonTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/canonTestsCatch.dir/DependInfo.cmake "--color=" canonTestsCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 47%] Building CXX object Code/GraphMol/CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o cd 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-Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -MF CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o.d -o CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/catch_canon.cpp make -f Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 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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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/pickleTestsCatch.dir/catch_pickles.cpp.o -MF CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o.d -o CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/catch_pickles.cpp make -f Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/build.make 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Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/molopsTestsCatch.dir/catch_molops.cpp.o -MF CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o.d -o CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/catch_molops.cpp [ 47%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/Descriptors.dir/link.d -Wl,-soname,libRDKitDescriptors.so.1 -o ../../../lib/libRDKitDescriptors.so.1.2026.03.4 CMakeFiles/Descriptors.dir/Crippen.cpp.o CMakeFiles/Descriptors.dir/BCUT.cpp.o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o CMakeFiles/Descriptors.dir/MolSurf.cpp.o CMakeFiles/Descriptors.dir/Lipinski.cpp.o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o CMakeFiles/Descriptors.dir/MQN.cpp.o CMakeFiles/Descriptors.dir/Property.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o CMakeFiles/Descriptors.dir/DCLV.cpp.o CMakeFiles/Descriptors.dir/EEM.cpp.o CMakeFiles/Descriptors.dir/PBF.cpp.o CMakeFiles/Descriptors.dir/PMI.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o 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../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 47%] Built target Descriptors make -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/DependInfo.cmake "--color=" smiTest1 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 47%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/smitest1.cpp.o cd 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Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -MF CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o.d -o CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/nontetrahedral_tests.cpp [ 50%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_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 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Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 50%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smartsTestCatch.dir/smarts_catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ChemReactions/ReactionWriter.cpp [ 50%] Linking CXX executable smartsTestCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script 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/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/DependInfo.cmake "--color=" depictorCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/build.make Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 50%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/x86_64-linux-gnu-g++ -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 -DIN_COORDGEN -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -MF CMakeFiles/depictorCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/catch_tests.cpp [ 50%] Linking CXX executable smiTest1 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest1.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/smiTest1.dir/link.d CMakeFiles/smiTest1.dir/smitest1.cpp.o -o smiTest1 ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 50%] Built target smiTest1 [ 50%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_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 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Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 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Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionUtils.cpp [ 50%] Linking CXX executable chiralityTestsCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/chiralityTestsCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/chiralityTestsCatch.dir/link.d CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -o chiralityTestsCatch ../RDGeneral/librdkitCatch.a ../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../lib/libRDKitAlignment.so.1.2026.03.4 ../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 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-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o -MF CMakeFiles/fileParsersTest1.dir/test1.cpp.o.d -o CMakeFiles/fileParsersTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/test1.cpp [ 51%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_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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Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ChemReactions/PreprocessRxn.cpp [ 51%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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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'/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/testAtropisomers.dir/testAtropisomers.cpp.o -MF CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o.d -o CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/testAtropisomers.cpp [ 51%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/PNGParser.cpp.o -MF CMakeFiles/ChemReactions.dir/PNGParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/PNGParser.cpp [ 51%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_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-202603.4/obj-x86_64-linux-gnu' [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -MF CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o.d -o CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/testSquiggleDoubleBonds.cpp [ 52%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB 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[ 52%] Linking CXX executable depictorCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/depictorCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/depictorCatch.dir/link.d CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -o depictorCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Built target depictorCatch make -f Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/DependInfo.cmake "--color=" testMolSupplier make -f Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/DependInfo.cmake "--color=" testGeneralFileReader make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/FileParsers/testMolSupplier.cpp [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -MF CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o.d -o CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/testGeneralFileReader.cpp make -f Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/DependInfo.cmake "--color=" testMultithreadedMolSupplier make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -MF CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o.d -o CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/testMultithreadedMolSupplier.cpp [ 52%] Linking CXX executable testSquiggleDoubleBonds cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSquiggleDoubleBonds.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testSquiggleDoubleBonds.dir/link.d CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -o testSquiggleDoubleBonds ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Built target testSquiggleDoubleBonds [ 52%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp [ 52%] Linking CXX executable testGeneralFileReader cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGeneralFileReader.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testGeneralFileReader.dir/link.d CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -o testGeneralFileReader ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitRDStreams.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Built target testGeneralFileReader make -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/DependInfo.cmake "--color=" testMolWriter make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/testMolWriter.dir/testMolWriter.cpp.o -MF CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o.d -o CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/testMolWriter.cpp make -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/DependInfo.cmake "--color=" testTplParser make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK 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52%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemReactions.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/ChemReactions.dir/link.d -Wl,-soname,libRDKitChemReactions.so.1 -o ../../../lib/libRDKitChemReactions.so.1.2026.03.4 CMakeFiles/ChemReactions.dir/Reaction.cpp.o 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.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1 ../../../lib/libRDKitChemReactions.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Built target ChemReactions 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/DependInfo.cmake "--color=" testMol2ToMol make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/testMol2ToMol.cpp [ 52%] Linking CXX executable testMultithreadedMolSupplier cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultithreadedMolSupplier.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testMultithreadedMolSupplier.dir/link.d CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -o testMultithreadedMolSupplier ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitRDStreams.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Built target testMultithreadedMolSupplier make -f Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/DependInfo.cmake "--color=" testSequence make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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-I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/testSequence.cpp [ 52%] Linking CXX executable testSequence cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Built target testSequence 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/DependInfo.cmake "--color=" testExtendedStereoParsing make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/testExtendedStereoParsing.cpp [ 52%] Linking CXX executable testMol2ToMol cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 52%] Built target testMol2ToMol make -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/DependInfo.cmake "--color=" fileParsersCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/FileParsers/file_parsers_catch.cpp [ 53%] Linking CXX executable testTplParser cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] Built target testTplParser 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/DependInfo.cmake "--color=" macromolsCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/macromolsCatchTest.dir/build.make 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-isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/FileParsers/macromols_catch.cpp [ 53%] Linking CXX executable testExtendedStereoParsing cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] Built target testExtendedStereoParsing 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/DependInfo.cmake "--color=" testPropertyLists make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/testPropertyLists.cpp [ 53%] Linking CXX executable testMolSupplier cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolSupplier.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testMolSupplier.dir/link.d CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -o testMolSupplier ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitRDStreams.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] Built target testMolSupplier 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/DependInfo.cmake "--color=" XYZFileParserCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/XYZFileParserCatchTest.cpp [ 53%] Linking CXX executable testMolWriter cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/DependInfo.cmake "--color=" cdxmlParserCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/cdxml_parser_catch.cpp [ 53%] Linking CXX executable macromolsCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/macromolsCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] Built target macromolsCatchTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/DependInfo.cmake "--color=" molfileStereoCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/molfile_stereo_catch.cpp [ 53%] Linking CXX executable fileParsersTest1 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] Built target fileParsersTest1 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/DependInfo.cmake "--color=" connectTheDotsTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/FileParsers/connectTheDots_catch.cpp [ 53%] Linking CXX executable XYZFileParserCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/XYZFileParserCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 53%] Built target XYZFileParserCatchTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/DependInfo.cmake "--color=" v2MolSuppliers make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/v2_suppliers_catch.cpp [ 54%] Linking CXX executable cdxmlParserCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlParserCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 54%] Built target cdxmlParserCatchTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/DependInfo.cmake "--color=" v2FileParsersCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/v2_file_parsers_catch.cpp [ 54%] Linking CXX executable connectTheDotsTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 54%] Built target connectTheDotsTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/DependInfo.cmake "--color=" atropisomersCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/atropisomersCatch.dir/atropisomers_catch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/atropisomers_catch.cpp [ 55%] Linking CXX executable testPropertyLists cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Built target testPropertyLists 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/DependInfo.cmake "--color=" fileParsersIteratorsTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersIteratorsTest.dir/fileParsersIterTest.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/fileParsersIterTest.cpp [ 55%] Linking CXX executable molfileStereoCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/molfileStereoCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Built target molfileStereoCatchTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/DependInfo.cmake "--color=" multithreadedSupplierCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FileParsers/multithreaded_supplier_catch.cpp [ 55%] Linking CXX executable v2MolSuppliers cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2MolSuppliers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/DependInfo.cmake "--color=" testSubstructMatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 55%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/testSubstructMatch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Substruct/testSubstructMatch.cpp [ 55%] Linking CXX executable v2FileParsersCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2FileParsersCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Built target v2FileParsersCatchTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/DependInfo.cmake "--color=" substructTestCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 55%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Substruct/catch_tests.cpp [ 55%] Linking CXX executable atropisomersCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/atropisomersCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Built target atropisomersCatch make -f Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/DependInfo.cmake "--color=" testReaction make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/ChemReactions/testReaction.cpp [ 55%] Linking CXX executable multithreadedSupplierCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/multithreadedSupplierCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Built target multithreadedSupplierCatchTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/DependInfo.cmake "--color=" testReactionFingerprints make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ChemReactions/testReactionFingerprints.cpp [ 55%] Linking CXX executable fileParsersIteratorsTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersIteratorsTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Built target fileParsersIteratorsTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/DependInfo.cmake "--color=" testEnumeration make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ChemReactions/Enumerate/testEnumerate.cpp [ 55%] Linking CXX executable testReactionFingerprints cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReactionFingerprints.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testReactionFingerprints.dir/link.d CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -o testReactionFingerprints ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Built target testReactionFingerprints 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/DependInfo.cmake "--color=" rxnTestCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/rxnTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/catch_tests.cpp [ 55%] Linking CXX executable fileParsersCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/fileParsersCatchTest.dir/link.d CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -o fileParsersCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Built target fileParsersCatchTest make -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/DependInfo.cmake "--color=" testChemTransforms make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -MF CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o.d -o CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms/testChemTransforms.cpp [ 55%] Linking CXX executable testSubstructMatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1 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Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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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/MolStandardize/CMakeFiles/MolStandardize.dir/Pipeline.cpp.o -MF CMakeFiles/MolStandardize.dir/Pipeline.cpp.o.d -o CMakeFiles/MolStandardize.dir/Pipeline.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Pipeline.cpp [ 55%] Linking CXX executable substructTestCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructTestCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Built target substructTestCatch [ 55%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolStandardize.cpp.o -MF CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o.d -o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/MolStandardize.cpp [ 55%] Linking CXX executable testChemTransforms cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemTransforms.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testChemTransforms.dir/link.d CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -o testChemTransforms ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 55%] Built target 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Metal.cpp.o -MF CMakeFiles/MolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/MolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Metal.cpp make -f Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 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-std=gnu++20 -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -MF CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o.d -o CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/filtercatalogtest.cpp make -f Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog 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Linking CXX executable chemTransformsTestCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemTransformsTestCatch.dir/link.txt --verbose=1 [ 55%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -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 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-ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/rdfragcatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.cpp [ 55%] Linking CXX executable filterCatalogTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp [ 55%] Linking CXX executable rxnTestCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnTestCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 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/usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp [ 56%] Linking CXX executable testFragCatalog cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFragCatalog.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. 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../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 56%] Built target testFragCatalog [ 56%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK 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-ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/FragCatGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp [ 56%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -DBOOST_IOSTREAMS_DYN_LINK 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-fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/FragFPGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp [ 56%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK 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-I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/testDescriptors.dir/test.cpp.o -MF CMakeFiles/testDescriptors.dir/test.cpp.o.d -o CMakeFiles/testDescriptors.dir/test.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/test.cpp [ 57%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/testAUTOCORR2D.cpp [ 57%] Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfragcatalog.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdfragcatalog.dir/link.d -o ../../../../rdkit/Chem/rdfragcatalog.so CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o ../../../../lib/libRDKitFragCatalog.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 57%] Built target rdfragcatalog make -f Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/depend make[4]: Entering directory 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/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/testATF.dir/testATF.cpp.o -MF CMakeFiles/testATF.dir/testATF.cpp.o.d -o CMakeFiles/testATF.dir/testATF.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/testATF.cpp [ 57%] Linking CXX executable testATF cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testATF.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testATF.dir/link.d CMakeFiles/testATF.dir/testATF.cpp.o -o testATF ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 57%] Built target testATF [ 57%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolStandardize/Tautomer.cpp [ 57%] Linking CXX executable testAUTOCORR2D cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR2D.dir/link.txt --verbose=1 [ 57%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Fragment.cpp.o -MF CMakeFiles/MolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/MolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Fragment.cpp /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testAUTOCORR2D.dir/link.d CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -o testAUTOCORR2D ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 57%] Built target testAUTOCORR2D [ 57%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB 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Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 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-MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp [ 58%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -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 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Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.cpp [ 59%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 59%] Built target testPBF [ 59%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD 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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 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o -MF CMakeFiles/testRDF.dir/testRDF.cpp.o.d -o CMakeFiles/testRDF.dir/testRDF.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/testRDF.cpp [ 59%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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-I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/testWHIM.dir/testWHIM.cpp.o -MF CMakeFiles/testWHIM.dir/testWHIM.cpp.o.d -o CMakeFiles/testWHIM.dir/testWHIM.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/testWHIM.cpp [ 59%] Linking CXX executable testRDF cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDF.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 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CMakeFiles/MolStandardize.dir/Fragment.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o ../../../lib/libRDKitChemReactions.so.1.2026.03.4 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/usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 62%] Built target MolStandardize make -f Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu 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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 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/catch_tests.cpp [ 62%] Linking CXX executable test3D cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3D.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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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-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 -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 -DrdMolDescriptors_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o -MF CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o.d -o CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp [ 62%] Linking CXX executable testCoulombMat cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoulombMat.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testCoulombMat.dir/link.d CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -o testCoulombMat ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitDistGeomHelpers.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitDistGeometry.so.1.2026.03.4 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 62%] Built target testCoulombMat make -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/DependInfo.cmake "--color=" testFingerprints [ 62%] Linking CXX executable testGETAWAY make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGETAWAY.dir/link.txt --verbose=1 make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 62%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/testFingerprints.dir/test1.cpp.o -MF CMakeFiles/testFingerprints.dir/test1.cpp.o.d -o CMakeFiles/testFingerprints.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/test1.cpp /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testGETAWAY.dir/link.d CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -o testGETAWAY ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 62%] Built target testGETAWAY make -f Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints 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-DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -MF CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o.d -o CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/testMHFPFingerprint.cpp [ 62%] Linking CXX executable testAUTOCORR3D cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR3D.dir/link.txt --verbose=1 [ 62%] Linking CXX executable testWHIM cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testWHIM.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testWHIM.dir/link.d CMakeFiles/testWHIM.dir/testWHIM.cpp.o -o testWHIM ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 62%] Built target testWHIM make -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/DependInfo.cmake "--color=" testFingerprintGenerators make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 62%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testAUTOCORR3D.dir/link.d CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -o testAUTOCORR3D ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 62%] Built target testAUTOCORR3D make -f Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/DependInfo.cmake "--color=" fpTestCatch make[4]: 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Fingerprints/catch_tests.cpp [ 62%] Linking CXX executable testMHFPFingerprint cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMHFPFingerprint.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testMHFPFingerprint.dir/link.d CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -o testMHFPFingerprint ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 62%] Built target testMHFPFingerprint make -f Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/build.make 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'/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 62%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Fingerprints/fpgen_catch_tests.cpp [ 62%] Linking CXX executable descriptorsTestCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/descriptorsTestCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -o descriptorsTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 62%] Built target descriptorsTestCatch 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/DependInfo.cmake "--color=" testMolTransforms make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 62%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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 CMakeFiles/testMolTransforms.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolTransforms/test1.cpp [ 62%] Linking CXX executable fpTestCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpTestCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 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/usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 62%] Built target fpTestCatch 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu 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-DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/MolTransforms/catch_tests.cpp [ 63%] Linking CXX executable fpGenTestCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpGenTestCatch.dir/link.txt --verbose=1 [ 63%] Linking CXX executable testMolTransforms cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/fpGenTestCatch.dir/link.d CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -o fpGenTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 63%] Built target fpGenTestCatch make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers 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-DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o -MF CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/catch_tests.cpp /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 63%] Built target testMolTransforms make -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make 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-I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp [ 63%] Linking CXX executable testFingerprintGenerators cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprintGenerators.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 63%] Built target testFingerprintGenerators 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/MMFF /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/DependInfo.cmake "--color=" testMMFFForceFieldHelpersMultiThread make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/build.make 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp [ 63%] Linking CXX executable molTransformsTestCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTransformsTestCatch.dir/link.txt --verbose=1 [ 63%] Linking CXX executable forceFieldHelpersCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/forceFieldHelpersCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 63%] Built target molTransformsTestCatch 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/UFF /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/DependInfo.cmake "--color=" testUFFForceFieldHelpers /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/forceFieldHelpersCatch.dir/link.d CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o -o forceFieldHelpersCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitForceField.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 63%] Built target forceFieldHelpersCatch make -f Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/build.make Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/depend [ 63%] Building CXX object Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/DependInfo.cmake "--color=" testCrystalForceField cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -MF CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o.d -o CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 63%] Building CXX object Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp [ 63%] Linking CXX executable testFingerprints cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprints.dir/link.txt --verbose=1 [ 63%] Linking CXX executable testMMFFForceFieldHelpers cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpers.dir/link.txt --verbose=1 [ 63%] Linking CXX executable testMMFFForceFieldHelpersMultiThread cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../../lib/libRDKitDistGeometry.so.1.2026.03.4 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 63%] Built target testMMFFForceFieldHelpers 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/DependInfo.cmake "--color=" testDistGeomHelpers /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 63%] Built target testFingerprints 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/DependInfo.cmake "--color=" distGeomHelpersCatch [ 63%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 63%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/DistGeomHelpers/catch_tests.cpp /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../../lib/libRDKitDistGeometry.so.1.2026.03.4 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 63%] Built target testMMFFForceFieldHelpersMultiThread 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DistGeomHelpers/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/DependInfo.cmake "--color=" rdDistGeom make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build.make 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executable testCrystalForceField cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCrystalForceField.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../../lib/libRDKitDistGeometry.so.1.2026.03.4 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 63%] Built target testCrystalForceField 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/DependInfo.cmake "--color=" O3AAlign make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 63%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/x86_64-linux-gnu-g++ -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 -DO3AAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp [ 63%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDescriptors.dir/link.d -o ../../../../rdkit/Chem/rdMolDescriptors.so CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o ../../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 63%] Built target rdMolDescriptors 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/DependInfo.cmake "--color=" testMolAlign make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 63%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolAlign/testMolAlign.cpp [ 64%] Linking CXX executable testUFFForceFieldHelpers cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -o testUFFForceFieldHelpers ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../../lib/libRDKitDistGeometry.so.1.2026.03.4 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 64%] Built target testUFFForceFieldHelpers 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/DependInfo.cmake "--color=" molAlignCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 64%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/MolAlign/catch_tests.cpp [ 64%] Linking CXX executable testMolAlign cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitDistGeomHelpers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitDistGeometry.so.1.2026.03.4 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 64%] Built target testMolAlign 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/DependInfo.cmake "--color=" testFeatures make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 64%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp [ 64%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/O3AAlign.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2026.03.4 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 64%] Built target O3AAlign make -f Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/DependInfo.cmake "--color=" testShapeHelpers make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 64%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -MF CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o.d -o CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp [ 64%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDistGeom.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDistGeom.dir/link.d -o ../../../../rdkit/Chem/rdDistGeom.so CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitDistGeometry.so.1.2026.03.4 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 64%] Built target rdDistGeom make -f Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/DependInfo.cmake "--color=" testMolCatalog make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 64%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolCatalog/test1.cpp [ 65%] Linking CXX executable molAlignCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 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/usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 65%] Built target molAlignCatchTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape 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/usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 66%] Built target testShapeHelpers [ 66%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp [ 67%] Linking CXX executable testMolCatalog cd 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Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp [ 67%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK 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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/MolDraw2DUtils.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DUtils.cpp [ 67%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/TargetMatch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/x86_64-linux-gnu-g++ -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 -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/TargetMatch.cpp.o -MF CMakeFiles/FMCS.dir/TargetMatch.cpp.o.d -o CMakeFiles/FMCS.dir/TargetMatch.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/TargetMatch.cpp [ 67%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDrawOptionsJSONParsers.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolDraw2D/MolDrawOptionsJSONParsers.cpp [ 67%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/x86_64-linux-gnu-g++ -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 -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp [ 67%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolDraw2D/AtomSymbol.cpp [ 68%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_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/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-202603.4/Code/GraphMol/MolDraw2D/DrawAnnotation.cpp [ 69%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/x86_64-linux-gnu-g++ -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 -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS 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Building CXX object Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 69%] Built target testGaussianShape [ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK 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'/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 69%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/x86_64-linux-gnu-g++ -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 -DMMPA_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MMPA_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o -MF CMakeFiles/MMPA.dir/MMPA.cpp.o.d -o CMakeFiles/MMPA.dir/MMPA.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MMPA/MMPA.cpp [ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/x86_64-linux-gnu-g++ -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 -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 -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RascalMCES.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalMCES.cpp [ 69%] Linking CXX shared library ../../../lib/libRDKitFMCS.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCS.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/FMCS.dir/link.d -Wl,-soname,libRDKitFMCS.so.1 -o ../../../lib/libRDKitFMCS.so.1.2026.03.4 CMakeFiles/FMCS.dir/FMCS.cpp.o CMakeFiles/FMCS.dir/Seed.cpp.o CMakeFiles/FMCS.dir/TargetMatch.cpp.o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFMCS.so.1.2026.03.4 ../../../lib/libRDKitFMCS.so.1 ../../../lib/libRDKitFMCS.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 69%] Built target FMCS 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/DependInfo.cmake "--color=" MolEnumerator make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 69%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.cpp [ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp [ 70%] Linking CXX shared library ../../../lib/libRDKitMMPA.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/MMPA.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/MMPA.dir/link.d -Wl,-soname,libRDKitMMPA.so.1 -o ../../../lib/libRDKitMMPA.so.1.2026.03.4 CMakeFiles/MMPA.dir/MMPA.cpp.o ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2026.03.4 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 70%] Built target MMPA 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/EnumerateStereoisomers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/DependInfo.cmake "--color=" EnumerateStereoisomers make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 70%] Building CXX object Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/EnumerateStereoisomers.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.cpp [ 70%] Linking CXX executable molHashCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/molHashCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -o molHashCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitMolHash.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 70%] Built target molHashCatchTest [ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/DrawMolMCHLasso.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp [ 70%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolEnumerator/PositionVariation.cpp [ 70%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/x86_64-linux-gnu-g++ -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 -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 -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RascalCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalCluster.cpp [ 70%] Building CXX object Code/GraphMol/EnumerateStereoisomers/CMakeFiles/EnumerateStereoisomers.dir/Flippers.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/EnumerateStereoisomers/Flippers.cpp [ 70%] Linking CXX shared library ../../../lib/libRDKitEnumerateStereoisomers.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers && /usr/bin/cmake -E cmake_link_script CMakeFiles/EnumerateStereoisomers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/EnumerateStereoisomers.dir/link.d -Wl,-soname,libRDKitEnumerateStereoisomers.so.1 -o ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.03.4 CMakeFiles/EnumerateStereoisomers.dir/EnumerateStereoisomers.cpp.o CMakeFiles/EnumerateStereoisomers.dir/Flippers.cpp.o ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitDistGeomHelpers.so.1.2026.03.4 ../../../lib/libRDKitDistGeometry.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.03.4 ../../../lib/libRDKitEnumerateStereoisomers.so.1 ../../../lib/libRDKitEnumerateStereoisomers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 70%] Built target EnumerateStereoisomers make -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/DependInfo.cmake "--color=" Deprotect make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 70%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK 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Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o -MF CMakeFiles/Deprotect.dir/Deprotect.cpp.o.d -o CMakeFiles/Deprotect.dir/Deprotect.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Deprotect/Deprotect.cpp [ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/DrawShape.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawShape.cpp [ 70%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o cd 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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/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalButinaCluster.cpp [ 70%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/LinkNode.cpp.o -MF CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o.d -o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/LinkNode.cpp [ 70%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/x86_64-linux-gnu-g++ -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 -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 -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/RascalMCES/lap_a_la_scipy.cpp make -f Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/DependInfo.cmake "--color=" trajectoryTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 70%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -MF 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-DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolDraw2D/DrawText.cpp [ 70%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1 [ 70%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/x86_64-linux-gnu-g++ -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 -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 -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/PartitionSet.cpp.o -MF CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o.d -o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/PartitionSet.cpp /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/Deprotect.dir/link.d -Wl,-soname,libRDKitDeprotect.so.1 -o ../../../lib/libRDKitDeprotect.so.1.2026.03.4 CMakeFiles/Deprotect.dir/Deprotect.cpp.o ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2026.03.4 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 70%] Built target Deprotect [ 71%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/x86_64-linux-gnu-g++ -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 -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RepeatUnit.cpp.o -MF CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o.d -o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/RepeatUnit.cpp [ 71%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/x86_64-linux-gnu-g++ -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 -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 -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RascalResult.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalResult.cpp.o.d -o 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-DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/DetermineBonds/DetermineBonds.cpp [ 71%] Linking CXX executable trajectoryTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/trajectoryTest.dir/link.d CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -o trajectoryTest ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 71%] Built target trajectoryTest make -f Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/build.make 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'/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 71%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -MF CMakeFiles/molInterchangeTest1.dir/test1.cpp.o.d -o CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInterchange/test1.cpp [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/DrawTextNotFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextNotFT.cpp [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/DrawTextSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp make -f 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-I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -MF CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o.d -o CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInterchange/molinterchange_catch.cpp [ 71%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1 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/usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 71%] Built target MolEnumerator make -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu 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-DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -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 -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Wrap/rdmolops.cpp [ 71%] Linking CXX executable molInterchangeTest1 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeTest1.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/molInterchangeTest1.dir/link.d CMakeFiles/molInterchangeTest1.dir/test1.cpp.o 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/usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 71%] Built target molInterchangeTest1 [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolDraw2D/DrawTextJS.cpp [ 72%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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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-fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp [ 72%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp [ 73%] Linking CXX shared library ../../../lib/libRDKitDetermineBonds.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DetermineBonds && /usr/bin/cmake -E cmake_link_script CMakeFiles/DetermineBonds.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/DetermineBonds.dir/link.d -Wl,-soname,libRDKitDetermineBonds.so.1 -o ../../../lib/libRDKitDetermineBonds.so.1.2026.03.4 CMakeFiles/DetermineBonds.dir/DetermineBonds.cpp.o ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DetermineBonds && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDetermineBonds.so.1.2026.03.4 ../../../lib/libRDKitDetermineBonds.so.1 ../../../lib/libRDKitDetermineBonds.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 73%] Built target DetermineBonds make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/DependInfo.cmake "--color=" molStandardizeTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 74%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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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CMakeFiles/molStandardizeTest.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/test1.cpp [ 74%] Linking CXX shared library ../../../lib/libRDKitRascalMCES.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/RascalMCES.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/RascalMCES.dir/link.d -Wl,-soname,libRDKitRascalMCES.so.1 -o ../../../lib/libRDKitRascalMCES.so.1.2026.03.4 CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRascalMCES.so.1.2026.03.4 ../../../lib/libRDKitRascalMCES.so.1 ../../../lib/libRDKitRascalMCES.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 74%] Built target RascalMCES [ 74%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolDraw2D/DrawTextFT.cpp [ 75%] Linking CXX executable molInterchangeCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/molInterchangeCatchTest.dir/link.d 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/usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Built target molInterchangeCatchTest [ 75%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/DrawTextFTSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp [ 75%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolOps.cpp.o -MF CMakeFiles/rdmolops.dir/MolOps.cpp.o.d -o CMakeFiles/rdmolops.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/MolOps.cpp [ 75%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolDraw2D/DrawTextFTJS.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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/DependInfo.cmake "--color=" molNormalizeTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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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-202603.4/Code/GraphMol/MolStandardize/testNormalize.cpp [ 75%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolDraw2D/DrawTextFTCairo.cpp [ 75%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/DependInfo.cmake "--color=" molValidateTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolStandardize/testValidate.cpp [ 75%] Linking CXX executable molStandardizeTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time 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../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Built target molStandardizeTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/DependInfo.cmake "--color=" molChargeTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o [ 75%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolStandardize/testCharge.cpp cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolDraw2D.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/MolDraw2D.dir/link.d -Wl,-soname,libRDKitMolDraw2D.so.1 -o ../../../lib/libRDKitMolDraw2D.so.1.2026.03.4 CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o CMakeFiles/MolDraw2D.dir/MolDrawOptionsJSONParsers.cpp.o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o ../../../lib/libRDKitChemReactions.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libfreetype.so ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2026.03.4 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Built target MolDraw2D 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/DependInfo.cmake "--color=" molTautomerTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/molTautomerTest.dir/testTautomer.cpp.o -MF CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o.d -o CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/testTautomer.cpp [ 75%] Linking CXX executable molNormalizeTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molNormalizeTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/molNormalizeTest.dir/link.d CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -o molNormalizeTest ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Built target molNormalizeTest make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/DependInfo.cmake "--color=" molStandardizeSmallTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 75%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/molStandardizeSmallTest.dir/test2.cpp.o -MF CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o.d -o CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/test2.cpp [ 75%] Linking CXX executable molValidateTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Built target molValidateTest make -f Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/DependInfo.cmake "--color=" molFragmentTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/molFragmentTest.dir/testFragment.cpp.o -MF CMakeFiles/molFragmentTest.dir/testFragment.cpp.o.d -o CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/testFragment.cpp [ 75%] Linking CXX executable molChargeTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Built target molChargeTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/DependInfo.cmake "--color=" molStandardizeCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolStandardize/catch_tests.cpp 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/DependInfo.cmake "--color=" molStandardizePipelineTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolStandardize/testPipeline.cpp [ 75%] Linking CXX executable molStandardizeSmallTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeSmallTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Built target molStandardizeSmallTest make -f 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-DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp [ 75%] Linking CXX executable molFragmentTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molFragmentTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 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/usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Built target molFragmentTest [ 75%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolStandardize/Wrap/Validate.cpp [ 75%] Linking CXX executable molTautomerTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTautomerTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/molTautomerTest.dir/link.d CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -o molTautomerTest 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../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Built target molTautomerTest [ 75%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolStandardize/Wrap/Charge.cpp [ 75%] Linking CXX executable molStandardizePipelineTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizePipelineTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/molStandardizePipelineTest.dir/link.d CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -o molStandardizePipelineTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Built target molStandardizePipelineTest make -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/DependInfo.cmake "--color=" ScaffoldNetwork make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_SCAFFOLDNETWORK_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 -DScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -MF CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o.d -o CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.cpp [ 75%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolStandardize/Wrap/Fragment.cpp [ 75%] Linking CXX executable molStandardizeCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/molStandardizeCatchTest.dir/link.d CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -o molStandardizeCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Built target molStandardizeCatchTest make -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/DependInfo.cmake "--color=" testMolEnumerator make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 75%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -MF CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o.d -o CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/enumerator_catch.cpp [ 76%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolStandardize/Wrap/Normalize.cpp [ 76%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolStandardize/Wrap/Metal.cpp [ 76%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolops.dir/link.d -o ../../../rdkit/Chem/rdmolops.so CMakeFiles/rdmolops.dir/rdmolops.cpp.o CMakeFiles/rdmolops.dir/MolOps.cpp.o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitRDBoost.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 76%] Built target rdmolops make -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/DependInfo.cmake "--color=" rdMolEnumerator make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 76%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdMolEnumerator_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -MF CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o.d -o CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp [ 76%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so cd 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/usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitScaffoldNetwork.so.1.2026.03.4 ../../../lib/libRDKitScaffoldNetwork.so.1 ../../../lib/libRDKitScaffoldNetwork.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 76%] Built target ScaffoldNetwork [ 76%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -DBOOST_IOSTREAMS_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/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Wrap/Pipeline.cpp make -f Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/DependInfo.cmake "--color=" testAbbreviations make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 77%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -MF CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o.d -o CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Abbreviations/catch_tests.cpp make -f Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/build.make Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/DependInfo.cmake "--color=" MolProcessing make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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-DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolProcessing/MolProcessing.cpp [ 77%] Linking CXX executable testMolEnumerator cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake 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../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 77%] Built target testMolEnumerator make -f Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu 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/usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 78%] Built target rdMolEnumerator make -f Code/Bench/CMakeFiles/bench.dir/build.make Code/Bench/CMakeFiles/bench.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/Bench /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench/CMakeFiles/bench.dir/DependInfo.cmake "--color=" bench make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/Bench/CMakeFiles/bench.dir/build.make Code/Bench/CMakeFiles/bench.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 78%] Building CXX object Code/Bench/CMakeFiles/bench.dir/bench_common.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/bench_common.cpp.o -MF CMakeFiles/bench.dir/bench_common.cpp.o.d -o CMakeFiles/bench.dir/bench_common.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Bench/bench_common.cpp make -f 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'/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 78%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/x86_64-linux-gnu-g++ -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 -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MarvinParse/MarvinParser.cpp [ 79%] Linking CXX shared library ../../../lib/libRDKitMolProcessing.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolProcessing.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/MolProcessing.dir/link.d -Wl,-soname,libRDKitMolProcessing.so.1 -o ../../../lib/libRDKitMolProcessing.so.1.2026.03.4 CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitRDStreams.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MarvinParse/MarvinWriter.cpp [ 79%] Linking CXX executable testAbbreviations cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script 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'/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/DependInfo.cmake "--color=" TautomerQuery make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 79%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_TAUTOMERQUERY_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 -DTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/TautomerQuery/TautomerQuery.cpp In file included from /usr/include/c++/15/string:56, from /usr/include/c++/15/bits/locale_classes.h:42, from /usr/include/c++/15/bits/ios_base.h:43, from /usr/include/c++/15/ios:46, from /usr/include/c++/15/bits/ostream.h:43, from /usr/include/c++/15/bits/unique_ptr.h:42, from /usr/include/c++/15/memory:80, from /usr/include/boost/config/no_tr1/memory.hpp:21, from /usr/include/boost/get_pointer.hpp:14, from /usr/include/boost/python/object/pointer_holder.hpp:11, from /usr/include/boost/python/to_python_indirect.hpp:10, from /usr/include/boost/python/converter/arg_to_python.hpp:10, from /usr/include/boost/python/call.hpp:15, from /usr/include/boost/python/object_core.hpp:14, from /usr/include/boost/python/object/class.hpp:9, from /usr/include/boost/python/class.hpp:13, from /usr/include/boost/python/suite/indexing/indexing_suite.hpp:9, from /usr/include/boost/python/suite/indexing/map_indexing_suite.hpp:9, from /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:11: In member function ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>& std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::append(const std::__cxx11::basic_string<_CharT, _Traits, _Alloc>&) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:1536:28, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>& std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::operator+=(const std::__cxx11::basic_string<_CharT, _Traits, _Alloc>&) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:1478:28, inlined from ‘static void boost::python::map_indexing_suite::extension_def(Class&) [with Class = boost::python::class_, RDKit::MolStandardize::Tautomer>, boost::noncopyable_::noncopyable>; Container = std::map, RDKit::MolStandardize::Tautomer>; bool NoProxy = true; DerivedPolicies = boost::python::detail::final_map_derived_policies, RDKit::MolStandardize::Tautomer>, true>]’ at /usr/include/boost/python/suite/indexing/map_indexing_suite.hpp:77:23: /usr/include/c++/15/bits/basic_string.h:1165:19: warning: ‘*(const std::__cxx11::basic_string, std::allocator >*)((char*)&class_name_extractor + offsetof(boost::python::extract, std::allocator > >,boost::python::extract, std::allocator > >::.boost::python::converter::extract_rvalue, std::allocator > >::m_data.boost::python::converter::rvalue_from_python_data, std::allocator > >::.boost::python::converter::rvalue_from_python_storage, std::allocator > >::storage)).std::__cxx11::basic_string::_M_string_length’ may be used uninitialized [-Wmaybe-uninitialized] 1165 | size_type __sz = _M_string_length; | ^~~~ /usr/include/boost/python/suite/indexing/map_indexing_suite.hpp: In static member function ‘static void boost::python::map_indexing_suite::extension_def(Class&) [with Class = boost::python::class_, RDKit::MolStandardize::Tautomer>, boost::noncopyable_::noncopyable>; Container = std::map, RDKit::MolStandardize::Tautomer>; bool NoProxy = true; DerivedPolicies = boost::python::detail::final_map_derived_policies, RDKit::MolStandardize::Tautomer>, true>]’: /usr/include/boost/python/suite/indexing/map_indexing_suite.hpp:76:34: note: ‘class_name_extractor’ declared here 76 | extract class_name_extractor(class_name); | ^~~~~~~~~~~~~~~~~~~~ [ 79%] Building CXX object Code/Bench/CMakeFiles/bench.dir/descriptors.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/Bench/descriptors.cpp In member function ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::length() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:1176:20, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::basic_string(const std::__cxx11::basic_string<_CharT, _Traits, _Alloc>&) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:617:20, inlined from ‘static boost::python::map_indexing_suite::index_type boost::python::map_indexing_suite::convert_index(Container&, PyObject*) [with Container = std::map, RDKit::MolStandardize::Tautomer>; bool NoProxy = true; DerivedPolicies = boost::python::detail::final_map_derived_policies, RDKit::MolStandardize::Tautomer>, true>]’ at /usr/include/boost/python/suite/indexing/map_indexing_suite.hpp:170:30: /usr/include/c++/15/bits/basic_string.h:1165:19: warning: ‘*(const std::__cxx11::basic_string, std::allocator >*)((char*)&i + offsetof(boost::python::extract, std::allocator > >,boost::python::extract, std::allocator > >::.boost::python::converter::extract_rvalue, std::allocator > >::m_data.boost::python::converter::rvalue_from_python_data, std::allocator > >::.boost::python::converter::rvalue_from_python_storage, std::allocator > >::storage)).std::__cxx11::basic_string::_M_string_length’ may be used uninitialized [-Wmaybe-uninitialized] 1165 | size_type __sz = _M_string_length; | ^~~~ /usr/include/boost/python/suite/indexing/map_indexing_suite.hpp: In function ‘static boost::python::map_indexing_suite::index_type boost::python::map_indexing_suite::convert_index(Container&, PyObject*) [with Container = std::map, RDKit::MolStandardize::Tautomer>; bool NoProxy = true; DerivedPolicies = boost::python::detail::final_map_derived_policies, RDKit::MolStandardize::Tautomer>, true>]’: /usr/include/boost/python/suite/indexing/map_indexing_suite.hpp:168:35: note: ‘i’ declared here 168 | extract i(i_); | ^ [ 79%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolStandardize.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolStandardize.dir/link.d -o ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o ../../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 79%] Built target rdMolStandardize [ 79%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/x86_64-linux-gnu-g++ -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 -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MarvinParse/MarvinDefs.cpp [ 79%] Building CXX object Code/Bench/CMakeFiles/bench.dir/fingerprint.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/fingerprint.cpp.o -MF CMakeFiles/bench.dir/fingerprint.cpp.o.d -o CMakeFiles/bench.dir/fingerprint.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Bench/fingerprint.cpp [ 79%] Linking CXX executable testMIF cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMIF.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testMIF.dir/link.d CMakeFiles/testMIF.dir/testMIF.cpp.o -o testMIF ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInteractionFields.so.1.2026.03.4 ../../../lib/libRDKitDistGeomHelpers.so.1.2026.03.4 ../../../lib/libRDKitDistGeometry.so.1.2026.03.4 ../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitOptimizer.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 79%] Built target testMIF [ 79%] Building CXX object Code/Bench/CMakeFiles/bench.dir/meta.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench && /usr/bin/x86_64-linux-gnu-g++ -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-202603.4/Code/Bench/meta.cpp [ 79%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 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../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 79%] Built target TautomerQuery [ 79%] Building CXX object Code/Bench/CMakeFiles/bench.dir/mol.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench && /usr/bin/x86_64-linux-gnu-g++ -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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CMakeFiles/bench.dir/mol.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Bench/mol.cpp 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/DependInfo.cmake "--color=" testO3AAlign make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build.make 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-I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/MolAlign/testO3AAlign.cpp [ 79%] Building CXX object Code/Bench/CMakeFiles/bench.dir/molops.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB -DBOOST_REGEX_DYN_LINK 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-isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/pickle.cpp.o -MF CMakeFiles/bench.dir/pickle.cpp.o.d -o CMakeFiles/bench.dir/pickle.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Bench/pickle.cpp [ 79%] Building CXX object Code/Bench/CMakeFiles/bench.dir/smiles.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT 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Code/Bench/CMakeFiles/bench.dir/stereo.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/stereo.cpp.o -MF CMakeFiles/bench.dir/stereo.cpp.o.d -o CMakeFiles/bench.dir/stereo.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Bench/stereo.cpp [ 80%] Building CXX object Code/Bench/CMakeFiles/bench.dir/substruct_match.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/substruct_match.cpp.o -MF CMakeFiles/bench.dir/substruct_match.cpp.o.d -o CMakeFiles/bench.dir/substruct_match.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/Bench/substruct_match.cpp [ 80%] Building CXX object Code/Bench/CMakeFiles/bench.dir/inchi.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench && 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../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 80%] Built target testO3AAlign make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 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-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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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 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/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/DependInfo.cmake "--color=" rdMolDraw2D make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -DRDKIT_DYN_LINK -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 -DrdMolDraw2D_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -MF CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o.d -o CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp [ 81%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/MarvinParser.dir/link.d -Wl,-soname,libRDKitMarvinParser.so.1 -o ../../../lib/libRDKitMarvinParser.so.1.2026.03.4 CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2026.03.4 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] Built target MarvinParser make -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/DependInfo.cmake "--color=" testFMCS make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FMCS/testFMCS_Unit.cpp [ 81%] Linking CXX executable moldraw2DRxnTest1 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DRxnTest1.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/moldraw2DRxnTest1.dir/link.d CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -o moldraw2DRxnTest1 ../../../lib/libRDKitMolDraw2D.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] Built target moldraw2DRxnTest1 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/testFMCSCatch.dir/DependInfo.cmake "--color=" testFMCSCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 81%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCSCatch.dir/testFMCS_catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FMCS/testFMCS_catch_tests.cpp [ 81%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolAlign.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolAlign.dir/link.d -o ../../../../rdkit/Chem/rdMolAlign.so CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o ../../../../lib/libRDKitO3AAlign.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../../lib/libRDKitForceFieldHelpers.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitForceField.so.1.2026.03.4 ../../../../lib/libRDKitOptimizer.so.1.2026.03.4 ../../../../lib/libRDKitTrajectory.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/DependInfo.cmake "--color=" rdFMCS make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 81%] Building CXX object Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdFMCS_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp [ 81%] Linking CXX executable testFMCSCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCSCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 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-ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/FMCS/Test/testFMCS.cpp [ 81%] Linking CXX executable FMCStest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCStest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 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../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] Built target FMCStest make -f Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/DependInfo.cmake "--color=" testMMPA make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/MMPA/MMPA_UnitTest.cpp [ 81%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFMCS.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFMCS.dir/link.d -o ../../../../rdkit/Chem/rdFMCS.so CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o ../../../../lib/libRDKitFMCS.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] Built target rdFMCS 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/DependInfo.cmake "--color=" rdMMPA make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build.make Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdMMPA_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -MF CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o.d -o CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp [ 81%] Linking CXX executable moldraw2DTest1 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/moldraw2DTest1.dir/link.d CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -o moldraw2DTest1 ../../../lib/libRDKitMolDraw2D.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] Built target moldraw2DTest1 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/mces_catch.cpp [ 81%] Linking CXX executable testFMCS cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCS.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] Built target testFMCS 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/DependInfo.cmake "--color=" testRascalCluster make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 81%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -MF CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o.d -o CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp [ 81%] Linking CXX executable testMMPA cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMPA.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 81%] Built target testMMPA 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color=" rdRascalMCES make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 82%] Building CXX object Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp [ 82%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMMPA.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMMPA.dir/link.d -o ../../../../rdkit/Chem/rdMMPA.so CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o ../../../../lib/libRDKitMMPA.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 82%] Built target rdMMPA make -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/DependInfo.cmake "--color=" GeneralizedSubstruct make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 82%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/x86_64-linux-gnu-g++ -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 -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/XQMol.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GeneralizedSubstruct/XQMol.cpp [ 82%] Linking CXX executable testRascalCluster cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 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-DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/GeneralizedSubstruct/TextIO.cpp [ 82%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDraw2D.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDraw2D.dir/link.d -o ../../../../rdkit/Chem/Draw/rdMolDraw2D.so CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o ../../../../lib/libRDKitMolDraw2D.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 82%] Built target rdMolDraw2D 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/EnumerateStereoisomers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers/CMakeFiles/testEnumerateStereoisomers.dir/DependInfo.cmake "--color=" testEnumerateStereoisomers make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 82%] Building CXX object Code/GraphMol/EnumerateStereoisomers/CMakeFiles/testEnumerateStereoisomers.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/EnumerateStereoisomers/catch_tests.cpp [ 83%] Linking CXX executable testRascalMCES cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalMCES.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 83%] Built target testRascalMCES 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/EnumerateStereoisomers/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers/Wrap/CMakeFiles/rdEnumerateStereoisomers.dir/DependInfo.cmake "--color=" rdEnumerateStereoisomers make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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 -DrdEnumerateStereoisomers_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/EnumerateStereoisomers/Wrap/rdEnumerateStereoisomers.cpp [ 83%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRascalMCES.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRascalMCES.dir/link.d -o ../../../../rdkit/Chem/rdRascalMCES.so CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o ../../../../lib/libRDKitRascalMCES.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/DependInfo.cmake "--color=" testCIPLabeler make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK 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/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Deprotect/deprotectTest.cpp [ 86%] Linking CXX executable testEnumerateStereoisomers cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEnumerateStereoisomers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a 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-fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -MF CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o.d -o CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp [ 87%] Linking CXX shared module ../../../../rdkit/Chem/rdEnumerateStereoisomers.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdEnumerateStereoisomers.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdEnumerateStereoisomers.dir/link.d -o ../../../../rdkit/Chem/rdEnumerateStereoisomers.so CMakeFiles/rdEnumerateStereoisomers.dir/rdEnumerateStereoisomers.cpp.o ../../../../lib/libRDKitEnumerateStereoisomers.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../../lib/libRDKitDistGeomHelpers.so.1.2026.03.4 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 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/usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 87%] Built target rdEnumerateStereoisomers make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/DependInfo.cmake "--color=" RGroupDecomposition make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 87%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_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 -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp [ 87%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/GeneralizedSubstruct.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 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target deprotectTest [ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 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/usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 87%] Built target moldraw2DTestCatch [ 87%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_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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Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_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 -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 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-DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/CIPLabeler/Digraph.cpp make -f Code/GraphMol/DetermineBonds/CMakeFiles/determineBondsCatchTest.dir/build.make 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-ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/DetermineBonds/CMakeFiles/determineBondsCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/determineBondsCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/determineBondsCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DetermineBonds/catch_tests.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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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-fcf-protection -Wdate-time -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/rdchem.cpp.o -MF CMakeFiles/rdchem.dir/rdchem.cpp.o.d -o CMakeFiles/rdchem.dir/rdchem.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/rdchem.cpp [ 87%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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-Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++20 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Edge.cpp [ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Sort.cpp [ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp [ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/Configuration.cpp In file included from /usr/include/c++/15/string:56, from /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/Invariant.h:17, from /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RDKitBase.h:21, from /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/rdchem.cpp:12: In member function ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::length() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:1176:20, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::basic_string(const std::__cxx11::basic_string<_CharT, _Traits, _Alloc>&) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:617:20, inlined from ‘PyObject* createExceptionClass(const char*, PyObject*)’ at /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/rdchem.cpp:104:68: /usr/include/c++/15/bits/basic_string.h:1165:19: warning: ‘*(const std::__cxx11::basic_string, std::allocator >*)((char*)& + offsetof(boost::python::extract, std::allocator > >,boost::python::extract, std::allocator > >::.boost::python::converter::extract_rvalue, std::allocator > >::m_data.boost::python::converter::rvalue_from_python_data, std::allocator > >::.boost::python::converter::rvalue_from_python_storage, std::allocator > >::storage)).std::__cxx11::basic_string::_M_string_length’ may be used uninitialized [-Wmaybe-uninitialized] 1165 | size_type __sz = _M_string_length; | ^~~~ /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/rdchem.cpp: In function ‘PyObject* createExceptionClass(const char*, PyObject*)’: /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/rdchem.cpp:104:68: note: ‘’ declared here 104 | python::extract(python::scope().attr("__name__")); | ^ [ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/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-202603.4/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp [ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Atom.cpp.o -MF CMakeFiles/rdchem.dir/Atom.cpp.o.d -o CMakeFiles/rdchem.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/Atom.cpp [ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MaeMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/MaeMolSupplier.cpp [ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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-std=gnu++20 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp [ 87%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompJSONParsers.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_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 -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompJSONParsers.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompJSONParsers.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompJSONParsers.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.cpp [ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MaeWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/MaeWriter.cpp [ 88%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o cd 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-Werror=format-security -fcf-protection -Wdate-time -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/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp [ 89%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/RGroupDecomposition.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/RGroupDecomposition.dir/link.d -Wl,-soname,libRDKitRGroupDecomposition.so.1 -o ../../../lib/libRDKitRGroupDecomposition.so.1.2026.03.4 CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o 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.1.2026.03.4 ../../../lib/libRDKitga.so.1.2026.03.4 ../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRGroupDecomposition.so.1.2026.03.4 ../../../lib/libRDKitRGroupDecomposition.so.1 ../../../lib/libRDKitRGroupDecomposition.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 89%] Built target RGroupDecomposition [ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o cd 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-I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Bond.cpp.o -MF CMakeFiles/rdchem.dir/Bond.cpp.o.d -o CMakeFiles/rdchem.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/Bond.cpp make -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E 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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 -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -MF CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o.d -o CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp [ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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-I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp [ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK 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-ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Wrap/SDMolSupplier.cpp [ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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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-I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/rules/Rule3.cpp [ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK 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-I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/SmilesWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/SmilesWriter.cpp [ 89%] Linking CXX executable testScaffoldNetwork cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/testScaffoldNetwork.dir/link.txt --verbose=1 [ 90%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. 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../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 90%] Built target testScaffoldNetwork [ 90%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_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/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -MF CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o.d -o CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/DependInfo.cmake "--color=" generalizedSubstructCatch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 90%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_IOSTREAMS_DYN_LINK 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-std=gnu++20 -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -MF CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp [ 90%] Linking CXX executable testCIPLabeler cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCIPLabeler.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testCIPLabeler.dir/link.d CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o CMakeFiles/testCIPLabeler.dir/Node.cpp.o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o 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/usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp [ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB 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/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/DependInfo.cmake "--color=" testMolProcessing make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build.make Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 92%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -MF CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o.d -o CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolProcessing/processing_tests.cpp make -f Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build.make Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolProcessing/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/DependInfo.cmake "--color=" rdMolProcessing make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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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 -DrdMolProcessing_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o -MF CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o.d -o 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-DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/PgSQL/rdkit/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-202603.4/Code/PgSQL/rdkit/adapter.cpp make -f Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build.make 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Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/cxsmilesTest.dir/cxsmiles_test.cpp.o -MF CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o.d -o CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/cxsmiles_test.cpp [ 92%] Linking CXX executable testMolProcessing cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolProcessing.dir/link.txt --verbose=1 /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/adapter.cpp: In function ‘void* makeAvalonBFP(CROMol, bool, unsigned int)’: /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/adapter.cpp:1637:38: warning: unused parameter ‘data’ [-Wunused-parameter] 1637 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery, | ~~~~~~~^~~~ /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/adapter.cpp:1637:49: warning: unused parameter ‘isQuery’ [-Wunused-parameter] 1637 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery, | ~~~~~^~~~~~~ /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/adapter.cpp:1638:44: warning: unused parameter ‘bitFlags’ [-Wunused-parameter] 1638 | unsigned int bitFlags) { | ~~~~~~~~~~~~~^~~~~~~~ /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testMolProcessing.dir/link.d CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -o testMolProcessing ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolProcessing.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDStreams.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 92%] Built target testMolProcessing [ 92%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/x86_64-linux-gnu-gcc -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 -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=\"2026.03.4\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -I/build/reproducible-path/rdkit-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/Code/PgSQL/rdkit/bfp_op.c make -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/DependInfo.cmake "--color=" testMrvToMol make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 93%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -MF CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o.d -o CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MarvinParse/testMrvToMol.cpp [ 93%] Linking CXX shared module ../../../../rdkit/Chem/rdGeneralizedSubstruct.so cd 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../../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 93%] Built target rdGeneralizedSubstruct make -f Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build.make 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/usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 93%] Built target rdMolProcessing make -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap 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-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=\"2026.03.4\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -I/build/reproducible-path/rdkit-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/Code/PgSQL/rdkit/cache.c [ 94%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1 [ 94%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/guc.c.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/x86_64-linux-gnu-gcc -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 -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 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Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/mol_op.c.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/x86_64-linux-gnu-gcc -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 -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=\"2026.03.4\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/include/postgresql 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../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so 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-MF CMakeFiles/rdkit.dir/rdkit_gist.c.o.d -o CMakeFiles/rdkit.dir/rdkit_gist.c.o -c /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/rdkit_gist.c [ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gist.c.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/x86_64-linux-gnu-gcc -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 -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=\"2026.03.4\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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-I/build/reproducible-path/rdkit-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/Code/PgSQL/rdkit/bfp_gin.c [ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/x86_64-linux-gnu-gcc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_RANDOM_DYN_LINK -DBOOST_RANDOM_NO_LIB 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-ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/Code/PgSQL/rdkit/bitstring.c [ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/x86_64-linux-gnu-gcc -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 -DRDKITVER=\"007700\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT 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/build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/rxn_op.c [ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/x86_64-linux-gnu-gcc -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 -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=\"2026.03.4\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -I/build/reproducible-path/rdkit-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/Code/PgSQL/rdkit/sfp_op.c [ 95%] Linking CXX shared library librdkit.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && 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../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 -ldl /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/sql /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/sql cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/data /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/data cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/expected /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/expected make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 95%] Built target rdkit make -f Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/TautomerQuery/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/DependInfo.cmake "--color=" rdTautomerQuery make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build.make 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-DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -MF CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o.d -o CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/TautomerQuery/Wrap/rdTautomerQuery.cpp [ 95%] Linking CXX executable testGenericGroups cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGenericGroups.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testGenericGroups.dir/link.d CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -o testGenericGroups ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 95%] Built target testGenericGroups 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/DependInfo.cmake "--color=" SynthonSpaceSearch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 95%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.cpp [ 95%] Linking CXX executable testMrvToMol cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMrvToMol.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 95%] Built target testMrvToMol [ 95%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/x86_64-linux-gnu-g++ -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/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.cpp [ 95%] Linking CXX executable cxsmilesTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/cxsmilesTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 95%] Built target cxsmilesTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/DependInfo.cmake "--color=" SubstructLibrary make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 95%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp [ 96%] Linking CXX executable tautomerQueryTestCatch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/tautomerQueryTestCatch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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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../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 96%] Built target tautomerQueryTestCatch [ 96%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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 -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp [ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdTautomerQuery.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 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../../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 97%] Built target rdTautomerQuery [ 97%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/SynthonSet.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp [ 97%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/PatternFactory.cpp.o -MF CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary/PatternFactory.cpp [ 97%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp [ 97%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/SynthonSpaceSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/DependInfo.cmake "--color=" testRGroupDecomp make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -MF CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o.d -o CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp [ 97%] Linking CXX shared library ../../../lib/libRDKitSubstructLibrary.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructLibrary.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/SubstructLibrary.dir/link.d -Wl,-soname,libRDKitSubstructLibrary.so.1 -o ../../../lib/libRDKitSubstructLibrary.so.1.2026.03.4 CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.03.4 ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 /usr/lib/x86_64-linux-gnu/libz.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructLibrary.so.1.2026.03.4 ../../../lib/libRDKitSubstructLibrary.so.1 ../../../lib/libRDKitSubstructLibrary.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 97%] Built target SubstructLibrary [ 97%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/SynthonSpaceSubstructureSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp In file included from /usr/include/c++/15/string:56, from /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/Invariant.h:17, from /build/reproducible-path/rdkit-202603.4/Code/Geometry/point.h:22, from /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolPickler.h:14, from /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:34: In member function ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::length() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:1176:20, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::basic_string(const std::__cxx11::basic_string<_CharT, _Traits, _Alloc>&) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:617:20, inlined from ‘boost::python::api::object RDKit::addReactionToPNGStringHelper(const ChemicalReaction&, boost::python::api::object, bool, bool, bool, bool)’ at /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:499:54: /usr/include/c++/15/bits/basic_string.h:1165:19: warning: ‘*(const std::__cxx11::basic_string, std::allocator >*)((char*)& + offsetof(boost::python::extract, std::allocator > >,boost::python::extract, std::allocator > >::.boost::python::converter::extract_rvalue, std::allocator > >::m_data.boost::python::converter::rvalue_from_python_data, std::allocator > >::.boost::python::converter::rvalue_from_python_storage, std::allocator > >::storage)).std::__cxx11::basic_string::_M_string_length’ may be used uninitialized [-Wmaybe-uninitialized] 1165 | size_type __sz = _M_string_length; | ^~~~ /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp: In function ‘boost::python::api::object RDKit::addReactionToPNGStringHelper(const ChemicalReaction&, boost::python::api::object, bool, bool, bool, bool)’: /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:499:54: note: ‘’ declared here 499 | std::string cstr = python::extract(png); | ^ In member function ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::length() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:1176:20, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::basic_string(const std::__cxx11::basic_string<_CharT, _Traits, _Alloc>&) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:617:20, inlined from ‘boost::python::api::object RDKit::addReactionToPNGFileHelper(const ChemicalReaction&, boost::python::api::object, bool, bool, bool, bool)’ at /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:512:56: /usr/include/c++/15/bits/basic_string.h:1165:19: warning: ‘*(const std::__cxx11::basic_string, std::allocator >*)((char*)& + offsetof(boost::python::extract, std::allocator > >,boost::python::extract, std::allocator > >::.boost::python::converter::extract_rvalue, std::allocator > >::m_data.boost::python::converter::rvalue_from_python_data, std::allocator > >::.boost::python::converter::rvalue_from_python_storage, std::allocator > >::storage)).std::__cxx11::basic_string::_M_string_length’ may be used uninitialized [-Wmaybe-uninitialized] 1165 | size_type __sz = _M_string_length; | ^~~~ /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp: In function ‘boost::python::api::object RDKit::addReactionToPNGFileHelper(const ChemicalReaction&, boost::python::api::object, bool, bool, bool, bool)’: /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:512:56: note: ‘’ declared here 512 | std::string cstr = python::extract(fname); | ^ In member function ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::length() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:1176:20, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::basic_string(const std::__cxx11::basic_string<_CharT, _Traits, _Alloc>&) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:617:20, inlined from ‘std::string RDKit::pyObjectToString(boost::python::api::object)’ at /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:74:15: /usr/include/c++/15/bits/basic_string.h:1165:19: warning: ‘*(const std::__cxx11::basic_string, std::allocator >*)((char*)&ex + offsetof(boost::python::extract, std::allocator > >,boost::python::extract, std::allocator > >::.boost::python::converter::extract_rvalue, std::allocator > >::m_data.boost::python::converter::rvalue_from_python_data, std::allocator > >::.boost::python::converter::rvalue_from_python_storage, std::allocator > >::storage)).std::__cxx11::basic_string::_M_string_length’ may be used uninitialized [-Wmaybe-uninitialized] 1165 | size_type __sz = _M_string_length; | ^~~~ /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp: In function ‘std::string RDKit::pyObjectToString(boost::python::api::object)’: /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:72:32: note: ‘ex’ declared here 72 | python::extract ex(input); | ^~ In member function ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size() const [with _CharT = wchar_t; _Traits = std::char_traits; _Alloc = std::allocator]’, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::length() const [with _CharT = wchar_t; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:1176:20, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::basic_string(const std::__cxx11::basic_string<_CharT, _Traits, _Alloc>&) [with _CharT = wchar_t; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:617:20, inlined from ‘std::string RDKit::pyObjectToString(boost::python::api::object)’ at /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:76:56: /usr/include/c++/15/bits/basic_string.h:1165:19: warning: ‘*(const std::__cxx11::basic_string, std::allocator >*)((char*)& + offsetof(boost::python::extract, std::allocator > >,boost::python::extract, std::allocator > >::.boost::python::converter::extract_rvalue, std::allocator > >::m_data.boost::python::converter::rvalue_from_python_data, std::allocator > >::.boost::python::converter::rvalue_from_python_storage, std::allocator > >::storage)).std::__cxx11::basic_string::_M_string_length’ may be used uninitialized [-Wmaybe-uninitialized] 1165 | size_type __sz = _M_string_length; | ^~~~ /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp: In function ‘std::string RDKit::pyObjectToString(boost::python::api::object)’: /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:76:56: note: ‘’ declared here 76 | std::wstring ws = python::extract(input); | ^ make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/DependInfo.cmake "--color=" testRGroupDecompInternals make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -MF CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o.d -o CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/testRGroupInternals.cpp [ 97%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/SynthonSpaceFingerprintSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp In member function ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::length() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:1176:20, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::basic_string(const std::__cxx11::basic_string<_CharT, _Traits, _Alloc>&) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:617:20, inlined from ‘boost::python::api::object RDKit::PreprocessReaction(ChemicalReaction&, boost::python::dict, std::string)’ at /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:447:59: /usr/include/c++/15/bits/basic_string.h:1165:19: warning: ‘*(const std::__cxx11::basic_string, std::allocator >*)((char*)& + offsetof(boost::python::extract, std::allocator > >,boost::python::extract, std::allocator > >::.boost::python::converter::extract_rvalue, std::allocator > >::m_data.boost::python::converter::rvalue_from_python_data, std::allocator > >::.boost::python::converter::rvalue_from_python_storage, std::allocator > >::storage)).std::__cxx11::basic_string::_M_string_length’ may be used uninitialized [-Wmaybe-uninitialized] 1165 | size_type __sz = _M_string_length; | ^~~~ /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp: In function ‘boost::python::api::object RDKit::PreprocessReaction(ChemicalReaction&, boost::python::dict, std::string)’: /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:447:59: note: ‘’ declared here 447 | std::string k = python::extract(item[0]); | ^ In member function ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::length() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:1176:20, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::basic_string(const std::__cxx11::basic_string<_CharT, _Traits, _Alloc>&) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/15/bits/basic_string.h:617:20, inlined from ‘boost::python::api::object RDKit::AddRecursiveQueriesToReaction(ChemicalReaction&, boost::python::dict, std::string, bool)’ at /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:405:57: /usr/include/c++/15/bits/basic_string.h:1165:19: warning: ‘*(const std::__cxx11::basic_string, std::allocator >*)((char*)& + offsetof(boost::python::extract, std::allocator > >,boost::python::extract, std::allocator > >::.boost::python::converter::extract_rvalue, std::allocator > >::m_data.boost::python::converter::rvalue_from_python_data, std::allocator > >::.boost::python::converter::rvalue_from_python_storage, std::allocator > >::storage)).std::__cxx11::basic_string::_M_string_length’ may be used uninitialized [-Wmaybe-uninitialized] 1165 | size_type __sz = _M_string_length; | ^~~~ /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp: In function ‘boost::python::api::object RDKit::AddRecursiveQueriesToReaction(ChemicalReaction&, boost::python::dict, std::string, bool)’: /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp:405:57: note: ‘’ declared here 405 | std::string k = python::extract(item[0]); | ^ 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/DependInfo.cmake "--color=" rgroupCatchTests make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -MF CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o.d -o CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/catch_rgd.cpp [ 97%] Linking CXX executable testRGroupDecompInternals cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecompInternals.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/testRGroupDecompInternals.dir/link.d CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -o testRGroupDecompInternals ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRGroupDecomposition.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2026.03.4 ../../../lib/libRDKitga.so.1.2026.03.4 ../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 97%] Built target testRGroupDecompInternals [ 98%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceRascalSearcher.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.cpp make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/DependInfo.cmake "--color=" gaExample make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f 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-I/build/reproducible-path/rdkit-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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/MemoryMappedFileReader.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/MemoryMappedFileReader.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/MemoryMappedFileReader.cpp.o -c /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/MemoryMappedFileReader.cpp [ 99%] Linking CXX executable rgroupCatchTests cd 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-isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SubstructLibrary/substructLibraryTest.cpp [ 99%] Linking CXX executable gaExample cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaExample.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 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../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 99%] Built target gaExample 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/DependInfo.cmake "--color=" substructLibraryCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 99%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/x86_64-linux-gnu-g++ -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 -DRDKIT_DYN_LINK 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CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202603.4/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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/DependInfo.cmake "--color=" rdSubstructLibrary make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 99%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.cpp [ 99%] Linking CXX shared library ../../../lib/libRDKitSynthonSpaceSearch.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/SynthonSpaceSearch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 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/SynthonSpaceHitSet.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SearchResults.cpp.o CMakeFiles/SynthonSpaceSearch.dir/MemoryMappedFileReader.cpp.o ../../../lib/libRDKitRascalMCES.so.1.2026.03.4 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.03.4 ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.03.4 ../../../lib/libRDKitSynthonSpaceSearch.so.1 ../../../lib/libRDKitSynthonSpaceSearch.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 99%] Built target SynthonSpaceSearch make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/DependInfo.cmake "--color=" testSynthonSpaceSubstructureSearch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 99%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp [ 99%] Linking CXX executable testRGroupDecomp cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecomp.dir/link.txt --verbose=1 [ 99%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2026.03.4 ../../../lib/libRDKitga.so.1.2026.03.4 ../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 99%] Built target testRGroupDecomp make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/DependInfo.cmake "--color=" testSynthonSpaceFingerprintSearch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 99%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceFingerprintSearch.dir/fingerprint_search_catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SynthonSpaceSearch/fingerprint_search_catch_tests.cpp [ 99%] Linking CXX executable substructLibraryCatchTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryCatchTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.03.4 ../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 99%] Built target substructLibraryCatchTest make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/DependInfo.cmake "--color=" testSynthonSpaceRascalSearch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 99%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceRascalSearch.dir/rascal_search_catch_tests.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/x86_64-linux-gnu-g++ -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SynthonSpaceSearch/rascal_search_catch_tests.cpp [ 99%] Linking CXX executable substructLibraryTest cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryTest.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.03.4 ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 99%] Built target substructLibraryTest 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-202603.4/obj-x86_64-linux-gnu' cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4 /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/DependInfo.cmake "--color=" rdSynthonSpaceSearch make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' 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-202603.4/obj-x86_64-linux-gnu' [ 99%] Building CXX object Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/x86_64-linux-gnu-g++ -DBOOST_CONTAINER_DYN_LINK -DBOOST_CONTAINER_NO_LIB -DBOOST_GRAPH_DYN_LINK -DBOOST_GRAPH_NO_LIB -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 -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-202603.4/External -I/build/reproducible-path/rdkit-202603.4/Code -I/build/reproducible-path/rdkit-202603.4/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.14 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -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-202603.4/Code/GraphMol/SynthonSpaceSearch/Wrap/rdSynthonSpaceSearch.cpp [ 99%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRGroupDecomposition.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRGroupDecomposition.dir/link.d -o ../../../../rdkit/Chem/rdRGroupDecomposition.so CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o ../../../../lib/libRDKitRGroupDecomposition.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitFMCS.so.1.2026.03.4 ../../../../lib/libRDKitga.so.1.2026.03.4 ../../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitCatalogs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 99%] Built target rdRGroupDecomposition [ 99%] Linking CXX executable testSynthonSpaceFingerprintSearch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceFingerprintSearch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.03.4 ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitRascalMCES.so.1.2026.03.4 ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [ 99%] Built target testSynthonSpaceFingerprintSearch [ 99%] Linking CXX executable testSynthonSpaceSubstructureSearch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceSubstructureSearch.dir/link.txt --verbose=1 [100%] Linking CXX executable testSynthonSpaceRascalSearch cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceRascalSearch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-ld.bfd: CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o: in function `CATCH2_INTERNAL_TEST_22()': ./obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/./Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp:382:(.text+0x14b3): warning: the use of `tmpnam' is dangerous, better use `mkstemp' /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.03.4 ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitRascalMCES.so.1.2026.03.4 ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [100%] Built target testSynthonSpaceRascalSearch /usr/bin/x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2026.03.4 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.03.4 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.03.4 ../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../lib/libRDKitRascalMCES.so.1.2026.03.4 ../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [100%] Built target testSynthonSpaceSubstructureSearch [100%] Linking CXX shared module ../../../../rdkit/Chem/rdSynthonSpaceSearch.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSynthonSpaceSearch.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSynthonSpaceSearch.dir/link.d -o ../../../../rdkit/Chem/rdSynthonSpaceSearch.so CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o ../../../../lib/libRDKitSynthonSpaceSearch.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitRascalMCES.so.1.2026.03.4 ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.03.4 ../../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../../lib/libRDKitDescriptors.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../../lib/libRDKitPartialCharges.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [100%] Built target rdSynthonSpaceSearch [100%] Linking CXX shared module ../../../../rdkit/Chem/rdSubstructLibrary.so cd /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSubstructLibrary.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSubstructLibrary.dir/link.d -o ../../../../rdkit/Chem/rdSubstructLibrary.so CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o ../../../../lib/libRDKitSubstructLibrary.so.1.2026.03.4 ../../../../lib/libRDKitRDBoost.so.1.2026.03.4 ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2026.03.4 ../../../../lib/libRDKitMolEnumerator.so.1.2026.03.4 ../../../../lib/libRDKitTautomerQuery.so.1.2026.03.4 ../../../../lib/libRDKitMolStandardize.so.1.2026.03.4 ../../../../lib/libRDKitChemReactions.so.1.2026.03.4 ../../../../lib/libRDKitFileParsers.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libmaeparser.so.1.3.3 /usr/lib/x86_64-linux-gnu/libz.so ../../../../lib/libRDKitFilterCatalog.so.1.2026.03.4 ../../../../lib/libRDKitChemTransforms.so.1.2026.03.4 ../../../../lib/libRDKitDepictor.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libcoordgen.so.3.0.2 ../../../../lib/libRDKitMolAlign.so.1.2026.03.4 ../../../../lib/libRDKitMolTransforms.so.1.2026.03.4 ../../../../lib/libRDKitEigenSolvers.so.1.2026.03.4 ../../../../lib/libRDKitAlignment.so.1.2026.03.4 ../../../../lib/libRDKitFingerprints.so.1.2026.03.4 ../../../../lib/libRDKitCIPLabeler.so.1.2026.03.4 ../../../../lib/libRDKitSubgraphs.so.1.2026.03.4 ../../../../lib/libRDKitSubstructMatch.so.1.2026.03.4 ../../../../lib/libRDKitGenericGroups.so.1.2026.03.4 ../../../../lib/libRDKitSmilesParse.so.1.2026.03.4 ../../../../lib/libRDKitGraphMol.so.1.2026.03.4 ../../../../lib/libRDKitRDGeometryLib.so.1.2026.03.4 ../../../../lib/libRDKitCatalogs.so.1.2026.03.4 ../../../../lib/libRDKitDataStructs.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_numpy314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_container.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_graph.so.1.90.0 ../../../../lib/libRDKitRDGeneral.so.1.2026.03.4 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_random.so.1.90.0 /usr/lib/x86_64-linux-gnu/libboost_regex.so.1.90.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' [100%] Built target rdSubstructLibrary make[3]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/CMakeFiles 0 make[2]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' for v in $(pg_buildext supported-versions); do \ (cd Code/PgSQL/rdkit/build-$v && make || $(cat ../../../../obj-*/Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/link.txt | sed -e 's#\.\./\.\./#../../../../obj-*/Code/#g')); \ done make[2]: Entering directory '/build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18' /usr/bin/cmake -S/build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit -B/build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18 --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18/CMakeFiles /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[3]: Entering directory '/build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18' make -f CMakeFiles/rdkit.dir/build.make CMakeFiles/rdkit.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18' cd /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18 /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18 /build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18/CMakeFiles/rdkit.dir/DependInfo.cmake "--color=" rdkit make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18' make -f CMakeFiles/rdkit.dir/build.make CMakeFiles/rdkit.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202603.4/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-202603.4/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/18/server -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/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-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/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-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/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-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/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-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/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-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/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-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/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-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/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-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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-202603.4/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-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT 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-202603.4/Code/PgSQL/rdkit/bitstring.c [ 78%] Building C object CMakeFiles/rdkit.dir/rdkit_io.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT 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-202603.4/Code/PgSQL/rdkit/rdkit_io.c [ 85%] Building C object CMakeFiles/rdkit.dir/rxn_op.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT 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-202603.4/Code/PgSQL/rdkit/rxn_op.c [ 92%] Building C object CMakeFiles/rdkit.dir/sfp_op.c.o /usr/bin/cc -DRDKITVER=\"007700\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202603.4/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-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=gnu99 -fPIC -MD -MT 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-202603.4/Code/PgSQL/rdkit/sfp_op.c [100%] Linking CXX shared library librdkit.so /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkit.dir/link.txt --verbose=1 /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lGeneralizedSubstruct: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lMolEnumerator: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lTautomerQuery: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lMolDraw2D: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lMolTransforms: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lMolHash: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lFMCS: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lChemReactions: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lChemTransforms: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lFileParsers: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lSmilesParse: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lFingerprints: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lSubgraphs: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lDescriptors: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lPartialCharges: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lSubstructMatch: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lGraphMol: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lEigenSolvers: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lDataStructs: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lDepictor: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lRDGeometryLib: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lRDGeneral: No such file or directory /usr/bin/x86_64-linux-gnu-ld.bfd: cannot find -lrdkit_base: No such file or directory collect2: error: ld returned 1 exit status /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202603.4=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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[CMakeFiles/rdkit.dir/build.make:297: librdkit.so] Error 1 make[4]: Leaving directory '/build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18' make[3]: *** [CMakeFiles/Makefile2:90: CMakeFiles/rdkit.dir/all] Error 2 make[3]: Leaving directory '/build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18' make[2]: *** [Makefile:139: all] Error 2 make[2]: Leaving directory '/build/reproducible-path/rdkit-202603.4/Code/PgSQL/rdkit/build-18' (cd /build/reproducible-path/rdkit-202603.4/Code; doxygen doxygen/doxygen.config) warning: Tag 'TCL_SUBST' at line 213 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'SYMBOL_CACHE_SIZE' at line 337 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'SHOW_DIRECTORIES' at line 557 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'COLS_IN_ALPHA_INDEX' at line 869 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'HTML_TIMESTAMP' at line 965 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'HTML_ALIGN_MEMBERS' at line 971 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'USE_INLINE_TREES' at line 1162 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'FORMULA_TRANSPARENT' at line 1189 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'LATEX_SOURCE_CODE' at line 1327 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'XML_SCHEMA' at line 1425 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'XML_DTD' at line 1431 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'PERL_PATH' at line 1596 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'CLASS_DIAGRAMS' at line 1608 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'MSCGEN_PATH' at line 1617 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_FONTNAME' at line 1647 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_FONTSIZE' at line 1652 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_TRANSPARENT' at line 1792 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: argument 'a4wide' for option PAPER_TYPE is not a valid enum value Using the default: a4! warning: doxygen no longer ships with the FreeSans font. You may want to clear or change DOT_FONTNAME. Otherwise you run the risk that the wrong font is being used for dot generated graphs. Doxygen version used: 1.15.0 Searching for include files... Searching for example files... Searching for images... Searching for dot files... Searching for msc files... Searching for dia files... Searching for plantuml files... Searching for files to exclude Searching INPUT for files to process... Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/GraphMol Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/GraphMol/PartialCharges Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GeneralizedSubstruct Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SLNParse Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/GraphMol/libs Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize 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/build/reproducible-path/rdkit-202603.4/Code/Geometry Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/Features Searching for files in directory /build/reproducible-path/rdkit-202603.4/Code/ChemicalFeatures Reading and parsing tag files Parsing files Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Abbreviations/Abbreviations.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Abbreviations/Abbreviations.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Atom.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Atom.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/atomic_data.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/atomic_data.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/AtomIterators.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/AtomIterators.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Atropisomers.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Atropisomers.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Bond.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Bond.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/BondIterators.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/BondIterators.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Canon.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Canon.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/CartesianProduct.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/CartesianProduct.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/Enumerate.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/Enumerate.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/EnumerateBase.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/EnumerateBase.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePa/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionParser.h:173: warning: unbalanced grouping commands irs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/RandomSample.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/RandomSample.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/PreprocessRxn.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/PreprocessRxn.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Reaction.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Reaction.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionFingerprints.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionFingerprints.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionParser.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionParser.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionPickler.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionPickler.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionRunner.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionRunner.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/ReactionUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/SanitizeRxn.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/SanitizeRxn.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms/ChemTransforms.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms/ChemTransforms.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms/MolFragmenter.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms/MolFragmenter.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms/MolFragmenterJSONParser.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemTransforms/MolFragmenterJSONParser.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Chirality.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Chirality.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/CIPLabeler.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/CIPLabeler.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/CIPMol.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/CIPMol.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/Configuration.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/Configuration.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/Sp2Bond.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/Sp2Bond.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/Tetrahedral.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/configs/Tetrahedral.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Descriptor.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Descriptor.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Digraph.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Digraph.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Edge.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Edge.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Mancude.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Mancude.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Node.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Node.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Priority.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Priority.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/rules/Pairlist.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/rules/Pairlist.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/rules/Rule1a.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/rules/Rule1a.h... 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Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/EmbeddedFrag.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/EmbeddedFrag.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/RDDepictor.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/RDDepictor.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/Templates.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/Templates.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/TemplateSmarts.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/TemplateSmarts.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Deprotect/Deprotect.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Deprotect/Deprotect.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/AtomFeat.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/AtomFeat.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/AUTOCORR2D.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/AUTOCORR2D.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/AUTOCORR3D.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/AUTOCORR3D.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/BCUT.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/BCUT.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/ConnectivityDescriptors.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/ConnectivityDescriptors.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/CoulombMat.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/CoulombMat.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Crippen.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Crippen.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Data3Ddescriptors.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Data3Ddescriptors.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/DCLV.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/DCLV.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/DCLV_dots.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/DCLV_dots.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/EEM.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/EEM.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/GETAWAY.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/GETAWAY.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Lipinski.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Lipinski.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MolData3Ddescriptors.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MolData3Ddescriptors.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MolDescriptors.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MolDescriptors.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MolDescriptors3D.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MolDescriptors3D.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MolSurf.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MolSurf.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MORSE.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MORSE.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MQN.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/MQN.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/OxidationNumbers.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/OxidationNumbers.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/PBF.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/PBF.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/PMI.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/PMI.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Property.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Property.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/RDF.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/RDF.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/RegisterDescriptor.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/RegisterDescriptor.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/USRDescriptor.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/USRDescriptor.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/WHIM.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/WHIM.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/details.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/details.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DetermineBonds/DetermineBonds.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DetermineBonds/DetermineBonds.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DistGeomHelpers/Embedder.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/DistGeomHelpers/Embedder.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/EnumerateStereoisomers/Flippers.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/EnumerateStereoisomers/Flippers.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/CDXMLParser.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/CDXMLParser.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/FileParsers.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/FileParsers.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/FileParserUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/FileParserUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/FileWriters.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/FileWriters.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/GeneralFileReader.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/GeneralFileReader.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MaestroProperties.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MaestroProperties.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolFileStereochem.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolFileStereochem.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolSGroupParsing.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolSGroupParsing.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolSGroupWriting.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolSGroupWriting.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolSupplier.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolSupplier.v1API.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolSupplier.v1API.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolWriters.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MolWriters.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/PNGParser.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/PNGParser.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/ProximityBonds.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/ProximityBonds.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/SequenceParsers.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/SequenceParsers.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/SequenceWriters.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/SequenceWriters.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/FilterCatalog.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/FilterCatalog.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/FilterMatcherBase.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/FilterMatcherBase.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/FilterMatchers.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/FilterMatchers.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/Filters.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/Filters.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/AtomPairGenerator.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/AtomPairGenerator.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/AtomPairs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/AtomPairs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/FingerprintGenerator.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/FingerprintGenerator.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/Fingerprints.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/Fingerprints.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/FingerprintUtil.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/FingerprintUtil.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/MACCS.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/MACCS.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/MHFP.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/MHFP.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/MorganFingerprints.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/MorganFingerprints.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/MorganGenerator.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/MorganGenerator.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/RDKitFPGenerator.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/RDKitFPGenerator.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/Composition2N.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/Composition2N.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/DebugTrace.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/DebugTrace.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/DuplicatedSeedCache.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/DuplicatedSeedCache.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/FMCS.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/FMCS.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/Graph.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/Graph.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/MatchTable.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/MatchTable.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/MaximumCommonSubgraph.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/MaximumCommonSubgraph.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/Seed.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/Seed.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/SeedSet.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/SeedSet.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/SubstructMatchCustom.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/SubstructMatchCustom.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/SubstructureCache.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/SubstructureCache.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/Target.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/Target.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/TargetMatch.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/TargetMatch.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/PlanarityContribs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/PlanarityContribs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/FFConvenience.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/FFConvenience.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragCatGenerator.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragCatGenerator.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragCatParams.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragCatParams.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragFPGenerator.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/FragFPGenerator.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/GaussianShape.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/GaussianShape.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/ShapeInput.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/ShapeInput.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/ShapeOverlayOptions.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/ShapeOverlayOptions.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/SingleConformerAlignment.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/SingleConformerAlignment.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GeneralizedSubstruct/XQMol.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GeneralizedSubstruct/XQMol.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GenericGroups/GenericGroups.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GenericGroups/GenericGroups.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GraphMol.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GraphMol.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MarvinParse/MarvinDefs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MarvinParse/MarvinDefs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MarvinParse/MarvinParser.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MarvinParse/MarvinParser.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MMPA/MMPA.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MMPA/MMPA.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign/AlignMolecules.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign/AlignMolecules.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign/O3AAlignMolecules.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign/O3AAlignMolecules.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolBundle.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolBundle.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog/MolCatalog.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog/MolCatalog.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog/MolCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog/MolCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog/MolCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog/MolCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/FeatureParser.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/FeatureParser.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h... Parsing file /build/reproducible-/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2D.h:233: warning: unbalanced grouping commands path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/AtomSymbol.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/AtomSymbol.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawAnnotation.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawAnnotation.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawMol.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawMol.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawMolMCH.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawMolMCH.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawShape.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawShape.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawText.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawText.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextCairo.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextCairo.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextFT.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextFT.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextFTCairo.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextFTCairo.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextFTJS.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextFTJS.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextFTSVG.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextFTSVG.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextJS.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextJS.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextNotFT.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextNotFT.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextSVG.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/DrawTextSVG.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Fonts/roboto_regular.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Fonts/roboto_regular.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Fonts/telex_regular.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Fonts/telex_regular.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2D.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2D.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Gra/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolOps.h:514: warning: unbalanced grouping commands /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolOps.h:805: warning: unbalanced grouping commands phMol/MolDraw2D/MolDraw2DDetails.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DHelpers.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DHelpers.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DJS.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DJS.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/StringRect.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/StringRect.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/LinkNode.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/LinkNode.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolHash/mf.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolHash/mf.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolHash/MolHash.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolHash/MolHash.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolHash/nmmolhash.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolHash/nmmolhash.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInteractionFields/MIFDescriptors.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInteractionFields/MIFDescriptors.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInterchange/details.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInterchange/details.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInterchange/MolInterchange.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInterchange/MolInterchange.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolOps.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolOps.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolPickler.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolPickler.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolProcessing/MolProcessing.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolProcessing/MolProcessing.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Charge.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Charge.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Fragment.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Fragment.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Metal.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Metal.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/MolStandardize.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/MolStandardize.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Normalize.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Normalize.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Pipeline.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Pipeline.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Tautomer.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Tautomer.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Validate.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Validate.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolTransforms/MolTransforms.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolTransforms/MolTransforms.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MonomerInfo.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MonomerInfo.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/new_canon.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/new_canon.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/PartialCharges/GasteigerCharges.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/PartialCharges/GasteigerCharges.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/PartialCharges/GasteigerParams.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/PartialCharges/GasteigerParams.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/PeriodicTable.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/PeriodicTable.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/QueryAtom.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/QueryAtom.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/QueryBond.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/QueryBond.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/QueryOps.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/QueryOps.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/PartitionSet.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/PartitionSet.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalClusterOptions.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalClusterOptions.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalDetails.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalDetails.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalMCES.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalMCES.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalOptions.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalOptions.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalResult.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/RascalResult.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RDKitBase.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RDKitBase.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RDKitQueries.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RDKitQueries.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ReducedGraphs/ReducedGraphs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ReducedGraphs/ReducedGraphs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Resonance.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Resonance.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupCore.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupCore.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupData.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupData./build/reproducible-path/rdkit-202603.4/Code/GraphMol/ROMol.h:588: warning: unbalanced grouping commands h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupDecompData.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupDecompData.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupGa.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupGa.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupMatch.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupMatch.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupScore.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupScore.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/RGroupUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RingInfo.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RingInfo.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Rings.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Rings.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ROMol.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ROMol.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RWMol.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RWMol.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SanitException.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SanitException.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ScaffoldNetwork/detail.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ScaffoldNetwork/detail.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ShapeHelpers/ShapeEncoder.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ShapeHelpers/ShapeEncoder.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ShapeHelpers/ShapeUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ShapeHelpers/ShapeUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SLNParse/SLNAttribs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SLNParse/SLNAttribs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SLNParse/SLNParse.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SLNParse/SLNParse.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SLNParse/SLNParseOps.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SLNParse/SLNParseOps.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmartsWrite.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmartsWrite.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmilesJSONParsers.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmilesJSONParsers.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmilesParse.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmilesParse.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmilesParseOps.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmilesParseOps.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmilesWrite.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SmilesParse/SmilesWrite.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StereoGroup.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StereoGroup.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/Pattern.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/Pattern.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/ReCharge.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/ReCharge.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/Stereo.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/Stereo.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/StripSmallFragments.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/StripSmallFragments.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/StructChecker.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/StructChecker.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/StructCheckerOptions.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/StructCheckerOptions.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/Tautomer.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/Tautomer.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/Utilites.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/StructChecker/Utilites.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Subgraphs/Subgraphs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Subgraphs/Subgraphs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Subgraphs/SubgraphUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Subgraphs/SubgraphUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Subset.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Subset.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstanceGroup.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstanceGroup.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Substruct/SubstructMatch.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Substruct/SubstructMatch.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Substruct/SubstructUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Substruct/SubstructUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary/PatternFactory.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary/PatternFactory.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary/SubstructLibrary.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary/SubstructLibrary.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/MemoryMappedFileReader.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/MemoryMappedFileReader.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SearchResults.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SearchResults.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/Synthon.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/Synthon.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSet.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSet.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceHitSet.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceHitSet.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/TautomerQuery/TautomerQuery.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/TautomerQuery/TautomerQuery.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Trajectory/Snapshot.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Trajectory/Snapshot.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Trajectory/Trajectory.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Trajectory/Trajectory.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Catalogs/Catalog.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Catalogs/Catalog.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Catalogs/CatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Catalogs/CatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Catalogs/CatalogParams.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Catalogs/CatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/base64.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/base64.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/BitOps.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/BitOps.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/BitVect.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/BitVect.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/BitVects.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/BitVects.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/BitVectUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/BitVectUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/DatastructsException.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/DatastructsException.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/DatastructsStreamOps.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/DatastructsStreamOps.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/DiscreteDistMat.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/DiscreteDistMat.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/DiscreteValueVect.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/DiscreteValueVect.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/ExplicitBitVect.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/ExplicitBitVect.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/FPBReader.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/FPBReader.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/MultiFPBReader.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/MultiFPBReader.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/RealValueVect.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/RealValueVect.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/SparseBitVect.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/SparseBitVect.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataStructs/SparseIntVect.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataStructs/SparseIntVect.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/AndQuery.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/AndQuery.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/EqualityQuery.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/EqualityQuery.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/GreaterEqualQuery.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/GreaterEqualQuery.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/GreaterQuery.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/GreaterQuery.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/LessEqualQuery.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/LessEqualQuery.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/LessQuery.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/LessQuery.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/NullQueryAlgebra.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/NullQueryAlgebra.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/OrQuery.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/OrQuery.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/Query.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/Query.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/QueryObjects.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/QueryObjects.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/RangeQuery.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/RangeQuery.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/SetQuery.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/SetQuery.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Query/XOrQuery.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Query/XOrQuery.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ML/InfoTheory/CorrMatGenerator.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ML/InfoTheory/CorrMatGenerator.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ML/InfoTheory/InfoBitRanker.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ML/InfoTheory/InfoBitRanker.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ML/InfoTheory/InfoGainFuncs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ML/InfoTheory/InfoGainFuncs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataManip/MetricMatrixCalc/MetricFuncs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataManip/MetricMatrixCalc/MetricFuncs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/SimDivPickers/DistPicker.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/SimDivPickers/DistPicker.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/SimDivPickers/HierarchicalClusterPicker.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/SimDivPickers/HierarchicalClusterPicker.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/SimDivPickers/LeaderPicker.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/SimDivPickers/LeaderPicker.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/SimDivPickers/MaxMinPicker.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/SimDivPickers/MaxMinPicker.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/BadFileException.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/BadFileException.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/BetterEnums.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/BetterEnums.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/BoostEndInclude.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/BoostEndInclude.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/BoostStartInclude.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/BoostStartInclude.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/ConcurrentQueue.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/ConcurrentQueue.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/ControlCHandler.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/ControlCHandler.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/Dict.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/Dict.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/enum.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/enum.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/Exceptions.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/Exceptions.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/export.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/export.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/FileParseException.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/FileParseException.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/hanoiSort.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/hanoiSort.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/Invariant.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/Invariant.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/JSONHelpers.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/JSONHelpers.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/LocaleSwitcher.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/LocaleSwitcher.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/Ranking.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/Ranking.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDAny.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDAny.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDConfig.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDConfig.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDExportMacros.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDExportMacros.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDLog.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDLog.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDProps.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDProps.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDThreads.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDThreads.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDValue-doublemagic.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDValue-doublemagic.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDValue-taggedunion.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDValue-taggedunion.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDValue.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/RDValue.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/StreamOps.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/StreamOps.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/types.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/types.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/utils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/utils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/versions.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDGeneral/versions.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDBoost/boost_numpy.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDBoost/boost_numpy.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDBoost/import_array.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDBoost/import_array.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDBoost/pyint_api.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDBoost/pyint_api.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDBoost/PySequenceHolder.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDBoost/PySequenceHolder.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDBoost/python.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDBoost/python.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/RDBoost/python_streambuf.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/RDBoost/python_streambuf.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DistGeom/BoundsMatrix.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DistGeom/BoundsMatrix.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DistGeom/ChiralSet.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DistGeom/ChiralSet.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DistGeom/ChiralViolationContribs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DistGeom/ChiralViolationContribs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DistGeom/DistGeomUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DistGeom/DistGeomUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DistGeom/DistViolationContribs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DistGeom/DistViolationContribs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DistGeom/FourthDimContribs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DistGeom/FourthDimContribs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/DistGeom/TriangleSmooth.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/DistGeom/TriangleSmooth.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/AngleConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/AngleConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/AngleConstraints.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/AngleConstraints.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/Contrib.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/Contrib.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/DistanceConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/DistanceConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/DistanceConstraints.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/DistanceConstraints.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/FiniteDifference.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/FiniteDifference.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/ForceField.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/ForceField.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/AngleBend.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/AngleBend.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/AngleConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/AngleConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/BondStretch.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/BondStretch.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/Contribs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/Contribs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/DistanceConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/DistanceConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/Nonbonded.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/Nonbonded.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/OopBend.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/OopBend.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/Params.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/Params.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/PositionConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/PositionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/StretchBend.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/StretchBend.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/TorsionAngle.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/TorsionAngle.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/TorsionConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/TorsionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/PositionConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/PositionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/TorsionConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/TorsionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/AngleBend.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/AngleBend.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/AngleConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/AngleConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/BondStretch.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/BondStretch.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Contribs.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Contribs.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/DistanceConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/DistanceConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Inversion.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Inversion.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Inversions.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Inversions.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Nonbonded.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Nonbonded.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Params.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Params.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/PositionConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/PositionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/TorsionAngle.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/TorsionAngle.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/TorsionConstraint.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/TorsionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Utils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ForceField/UFF/Utils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Numerics/Alignment/AlignPoints.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Numerics/Alignment/AlignPoints.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Numerics/Conrec.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Numerics/Conrec.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Numerics/EigenSolvers/PowerEigenSolver.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Numerics/EigenSolvers/PowerEigenSolver.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Numerics/Matrix.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Numerics/Matrix.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Numerics/Optimizer/BFGSOpt.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Numerics/Optimizer/BFGSOpt.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Numerics/Optimizer/BFGSOpt_SVE.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Numerics/Optimizer/BFGSOpt_SVE.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Numerics/SquareMatrix.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Numerics/SquareMatrix.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Numerics/SymmMatrix.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Numerics/SymmMatrix.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Numerics/Vector.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Numerics/Vector.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Geometry/Grid3D.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Geometry/Grid3D.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Geometry/GridUtils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Geometry/GridUtils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Geometry/point.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Geometry/point.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Geometry/Transform.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Geometry/Transform.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Geometry/Transform2D.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Geometry/Transform2D.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Geometry/Transform3D.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Geometry/Transform3D.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Geometry/UniformGrid3D.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Geometry/UniformGrid3D.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Geometry/UniformRealValueGrid3D.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Geometry/UniformRealValueGrid3D.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Geometry/Utils.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Geometry/Utils.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/Features/Feature.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/Features/Feature.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ChemicalFeatures/ChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202603.4/Code/ChemicalFeatures/ChemicalFeature.h... Preprocessing /build/reproducible-path/rdkit-202603.4/Code/ChemicalFeatures/FreeChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202603.4/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 documenta/build/reproducible-path/rdkit-202603.4/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-202603.4/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h:63: warning: documented symbol 'for experimental torsion angle RDKit::DGeomHelpers::preferences' was not declared or defined. /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/ShapeOverlayOptions.h:22: warning: documented symbol 'enum RDKIT_GAUSSIANSHAPE_EXPORT RDKit::GaussianShape::StartMode' was not declared or defined. /build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/ShapeOverlayOptions.h:39: warning: documented symbol 'enum RDKIT_GAUSSIANSHAPE_EXPORT RDKit::GaussianShape::OptimMode' was not declared or defined. /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolOps.h:1255: warning: documented symbol 'modifies molecule in RDKit::MolOps::place' was not declared or defined. /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolOps.h:1271: warning: documented symbol 'modifies molecule in RDKit::MolOps::place' was not declared or defined. /build/reproducible-path/rdkit-202603.4/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-202603.4/Code/GraphMol/QueryOps.h:572: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:80: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:135: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:209: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:87: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:142: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:216: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/QueryOps.h:563: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override' tion... Creating members for template instances... Building page 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... 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 Feature.h... Generating code for file AngleConstraint.h... Generating code for file AngleConstraint.h... Generating code for file AngleConstraint.h... Generating code for file AngleConstraints.h... Generating code for file Contrib.h... Generating code for file DistanceConstraint.h... Generating code for file DistanceConstraint.h... Generating code for file DistanceConstraint.h... Generating code for file DistanceConstraints.h... Generating code for file FiniteDifference.h... Generating code for file ForceField.h... Generating code for file OopBend.h... Generating code for file StretchBend.h... Generating code for file AngleBend.h... Generating code for file AngleBend.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 Inversion.h... Generating code for file Inversions.h... Generating code for file Nonbonded.h... Generating code for file Nonbonded.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 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 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 details.h... Generating code for file details.h... Generating code for file DetermineBonds.h... Generating code for file BoundsMatrixBuilder.h... Generating code for file Embedder.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 PlanarityContribs.h... Generating code for file TorsionAngleContribs.h... Generating code for file TorsionAngleM6.h... Generating code for file TorsionPreferences.h... Generating code for file FFConvenience.h... Generating code for file MMFF.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 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 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 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 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 Tautomer.h... Generating code for file Tautomer.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 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 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 SearchResults.h... Generating code for file Synthon.h... Generating code for file SynthonSet.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 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 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_streambuf.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 Feature.h... Generating docs for file AngleConstraint.h... Generating docs for file AngleConstraint.h... Generating docs for file AngleConstraint.h... Generating docs for file AngleConstraints.h... Generating docs for file Contrib.h... Generating docs for file DistanceConstraint.h... Generating docs for file DistanceConstraint.h... Generating docs for file DistanceConstraint.h... Generating docs for file DistanceConstraints.h... Generating docs for file FiniteDifference.h... Generating docs for file ForceField.h... Generating docs for file OopBend.h... Generating docs for file StretchBend.h... Generating docs for file AngleBend.h... Generating docs for file AngleBend.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 Inversion.h... Generating docs for file Inversions.h... Generating docs for file Nonbonded.h... Generating docs for file Nonbonded.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 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 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... 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Generating docs for compound Data3Ddescripto/build/reproducible-path/rdkit-202603.4/Code/DistGeom/DistGeomUtils.h:254: 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-202603.4/Code/DistGeom/DistGeomUtils.h:127: 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-202603.4/Code/DistGeom/DistGeomUtils.h:93: 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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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' rs... Generating docs for compound DatastructsException... Generating docs for compound ExplicitBitVect... Generating docs for compound IndexErrorException... Generating docs for compound KeyErrorException... Generating docs for compound MolData3Ddescriptors... Generating docs for compound Point2D... Generating docs for compound PySequenceHolder< T >... Generating docs for compound set< K >... Generating docs for nested compound set< K >::iterator... Generating docs for nested compound set< K >::const_iterator... Generating docs for nested compound set< K >::reverse_iterator... Generating docs for nested compound set< K >::const_reverse_iterator... Generating docs for compound SparseBitVect... Generating docs for compound ValueErrorException... Generating concept documentation... Generating module documentation... Generating namespace documentation... Generating docs for namespace better_enums Generating docs for compound better_enums::optional< T >... Generating docs for compound better_enums::_eat_assign< EnumType >... Generating docs for compound better_enums::_iterable< Element >... Generating docs for compound better_enums::_initialize_at_program_start< Enum >... Generating docs for compound better_enums::map_compare< T >... Generating docs for compound better_enums::map_compare< const char * >... 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::ChiralViolationContribsParams... Generating docs for compound DistGeom::ChiralViolationContribs... Generating docs for compound DistGeom::DistViolationContribsParams... Generating docs for compound DistGeom::DistViolationContribs... Generating docs for compound DistGeom::FourthDimContribsParams... Generating docs for compound DistGeom::FourthDimContribs... Generating docs for namespace ForceFields Generating docs for compound ForceFields::AngleConstraintContrib... Generating docs for compound ForceFields::AngleConstraintContribsParams... Generating docs for compound ForceFields::AngleConstraintContribs... Generating docs for compound ForceFields::ForceFieldContrib... Generating docs for compound ForceFields::DistanceConstraintContrib... Generating docs for compound ForceFields::DistanceConstraintContribsParams... Generating docs for compound ForceFields::DistanceConstraintContribs... Generating docs for compound ForceFields::ForceField... Generating docs for compound ForceFields::PositionConstraintContrib... Generating docs for compound ForceFields::TorsionConstraintContrib... Generating docs for namespace ForceFields::CrystalFF Generating docs for compound ForceFields::CrystalFF::PlanarityContribsParams... Generating docs for compound ForceFields::CrystalFF::PlanarityContribs... Generating docs for compound ForceFields::CrystalFF::TorsionAngleContribsParams... Generating docs for compound ForceFields::Crysta/build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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' lFF::TorsionAngleContribs... Generating docs for compound ForceFields::CrystalFF::TorsionAngleContribM6... Generating docs for compound ForceFields::CrystalFF::ExpTorsionAngle... Generating docs for compound ForceFields::CrystalFF::CrystalFFDetails... 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::NonbondedContrib... Generating docs for compound ForceFields::MMFF::VdWContrib... Generating docs for compound ForceFields::MMFF::EleContrib... Generating docs for compound ForceFields::MMFF::OopBendContrib... Generating docs for compound ForceFields::MMFF::MMFFDef... Generating docs for compound ForceFields::MMFF::MMFFProp... Generating docs for compound ForceFields::MMFF::MMFFPBCI... Generating docs for compound ForceFields::MMFF::MMFFChg... Generating docs for compound ForceFields::MMFF::MMFFBond... Generating docs for compound ForceFields::MMFF::MMFFHerschbachLaurie... Generating docs for compound ForceFields::MMFF::MMFFCovRadPauEle... Generating docs for compound ForceFields::MMFF::MMFFAngle... Generating docs for compound ForceFields::MMFF::MMFFStbn... Generating docs for compound ForceFields::MMFF::MMFFOop... Generating docs for compound ForceFields::MMFF::MMFFTor... Generating docs for compound ForceFields::MMFF::MMFFVdW... Generating docs for compound ForceFields::MMFF::MMFFVdWRijstarEps... Generating docs for compound ForceFields::MMFF::MMFFAromCollection... Generating docs for compound ForceFields::MMFF::MMFFDefCollection... Generating docs for compound ForceFields::MMFF::MMFFPropCollection... Generating docs for compound ForceFields::MMFF::MMFFPBCICollection... Generating docs for compound ForceFields::MMFF::MMFFChgCollection... Generating docs for compound ForceFields::MMFF::MMFFBondCollection... Generating docs for compound ForceFields::MMFF::MMFFBndkCollection... Generating docs for compound ForceFields::MMFF::MMFFHerschbachLaurieCollection... Generating docs for compound ForceFields::MMFF::MMFFCovRadPauEleCollection... Generating docs for compound ForceFields::MMFF::MMFFAngleCollection... Generating docs for compound ForceFields::MMFF::MMFFStbnCollection... Generating docs for compound ForceFields::MMFF::MMFFDfsbCollection... Generating docs for compound ForceFields::MMFF::MMFFOopCollection... Generating docs for compound ForceFields::MMFF::MMFFTorCollection... Generating docs for compound ForceFields::MMFF::MMFFVdWCollection... Generating docs for compound ForceFields::MMFF::StretchBendContrib... Generating docs for compound ForceFields::MMFF::TorsionAngleContrib... 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::BondStretchContrib... Generating docs for compound ForceFields::UFF::InversionContrib... Generating docs for compound ForceFields::UFF::InversionContribsParams... Generating docs for compound ForceFields::UFF::InversionContribs... Generating docs for compound ForceFields::UFF::vdWContrib... Generating docs for compound ForceFields::UFF::UFFBond... Generating docs for compound ForceFields::UFF::UFFAngle... Generating docs for compound ForceFields::UFF::UFFTor... Generating docs for compound ForceFields::UFF::UFFInv... Generating docs for compound ForceFields::UFF::UFFVdW... Generating docs for compound ForceFields::UFF::AtomicParams... Generating docs for compound ForceFields::UFF::ParamCollection... Generating docs for compound ForceFields::UFF::TorsionAngleContrib... Generating docs for namespace ForceFields::UFF::Params Generating docs for namespace Forc/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/RDDepictor.h:393: 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-202603.4/Code/GraphMol/Depictor/RDDepictor.h:393: 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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/Code/GraphMol/Substruct/SubstructMatch.h:129: 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-202603.4/Code/GraphMol/Substruct/SubstructMatch.h:129: 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-202603.4/Code/GraphMol/Substruct/SubstructMatch.h:184: 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-202603.4/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-202603.4/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' eFields::UFF::Utils 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, needsConversion >... Generating docs for compound Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >... Generating docs for compound Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >... 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::Int2Type< v >... 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::HierarchCatalog< entryType, paramType, orderType >... Generating docs for nested compound RDCatalog::HierarchCatalog< entryType, paramType, orderType >::vertex_entry_t... Generating docs for compound RDCatalog::CatalogEntry... Generating docs for compound RDCatalog::CatalogParams... Generating docs for namespace RDDataManip Generating docs for compound RDDataManip::MetricMatrixCalc< vectType, entryType >... Generating docs for namespace RDDepict Generating docs for compound RDDepict::gtIIPair... Generating docs for compound RDDepict::EmbeddedAtom... Generating docs for compound RDDepict::EmbeddedFrag... Generating docs for compound RDDepict::DepictException... Generating docs for compound RDDepict::Compute2DCoordParameters... Generating docs for compound RDDepict::ConstrainedDepictionParams... Generating docs for compound RDDepict::CoordinateTemplates... 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::GridException... Generating docs for compound RDGeom::Grid3D< VectorType, ValueType1, ValueType2 >... Generating docs for compound RDGeom::Point... Generating docs for compound RDGeom::Point3D... Generating docs for compound RDGeom::Point2D... 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::Atom... Generating docs for compound RDKit::atomicData... Generating docs for compound RDKit::AtomIterator_< Atom_, Mol_ >... Generating docs for compound RDKit::HeteroatomIterator_< Atom_, Mol_ >... Generating docs for compound RDKit::AromaticAtomIterator_< Atom_, Mol_ >... Generating docs for compound RDKit::QueryAtomIterator_< Atom_, Mol_ >... Generating docs for compound RDKit::MatchingAtomIterator_< Atom_, Mol_ >... Generating docs for compound RDKit::Bond... Generating docs for compound RDKit::BondIterator_... Generating docs for compound RDKit::ConstB/build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/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-202603.4/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' /build/reproducible-path/rdkit-202603.4/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-202603.4/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202603.4/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-202603.4/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' ondIterator_... Generating docs for compound RDKit::CartesianProductStrategy... Generating docs for compound RDKit::EnumerationParams... Generating docs for compound RDKit::EnumerateLibrary... Generating docs for compound RDKit::EnumerateLibraryBase... Generating docs for compound RDKit::EnumerationStrategyException... Generating docs for compound RDKit::EnumerationStrategyBase... Generating docs for compound RDKit::EvenSamplePairsStrategy... Generating docs for compound RDKit::RandomSampleStrategy... Generating docs for compound RDKit::RandomSampleAllBBsStrategy... Generating docs for compound RDKit::ChemicalReactionException... Generating docs for compound RDKit::ChemicalReaction... Generating docs for compound RDKit::ReactionFingerprintParams... Generating docs for compound RDKit::ChemicalReactionParserException... Generating docs for compound RDKit::ReactionPicklerException... Generating docs for compound RDKit::ReactionPickler... Generating docs for compound RDKit::RxnSanitizeException... Generating docs for compound RDKit::MolzipParams... Generating docs for compound RDKit::ConformerException... Generating docs for compound RDKit::Conformer... Generating docs for compound RDKit::MaxFindBondOrdersItersExceeded... Generating docs for compound RDKit::MolWriterParams... Generating docs for compound RDKit::StereoBondThresholds... Generating docs for compound RDKit::MolWriter... Generating docs for compound RDKit::SmilesWriter... Generating docs for compound RDKit::SDWriter... Generating docs for compound RDKit::TDTWriter... Generating docs for compound RDKit::PDBWriter... Generating docs for compound RDKit::PNGMetadataParams... Generating docs for compound RDKit::FilterCatalogParams... Generating docs for compound RDKit::FilterCatalog... Generating docs for compound RDKit::FilterCatalogEntry... Generating docs for compound RDKit::FilterMatch... Generating docs for compound RDKit::FilterMatcherBase... Generating docs for compound RDKit::SmartsMatcher... Generating docs for compound RDKit::ExclusionList... Generating docs for compound RDKit::FilterHierarchyMatcher... Generating docs for compound RDKit::FilterData_t... Generating docs for compound RDKit::FilterProperty_t... Generating docs for compound RDKit::AdditionalOutput... Generating docs for compound RDKit::FingerprintArguments... Generating docs for compound RDKit::AtomEnvironment< OutputType >... Generating docs for compound RDKit::AtomEnvironmentGenerator< OutputType >... Generating docs for compound RDKit::AtomInvariantsGenerator... Generating docs for compound RDKit::BondInvariantsGenerator... Generating docs for compound RDKit::FingerprintFuncArguments... Generating docs for compound RDKit::FingerprintGenerator< OutputType >... Generating docs for compound RDKit::UnimplementedFPException... Generating docs for compound RDKit::MCSAtomCompareParameters... Generating docs for compound RDKit::MCSBondCompareParameters... Generating docs for compound RDKit::MCSProgressData... Generating docs for compound RDKit::MCSParameters... Generating docs for compound RDKit::MCSResult... 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::MarvinWriterException... Generating docs for compound RDKit::MarvinArrow... Generating docs for compound RDKit::MarvinPlus... Generating docs for compound RDKit::MarvinCondition... Generating docs for compound RDKit::MarvinAttachmentPoint... Generating docs for compound RDKit::MarvinAtom... Generating docs for compound RDKit::MarvinBondStereo... Generating docs for compound RDKit::MarvinBond... Generating docs for compound RDKit::MarvinRectangle... Generating docs for compound RDKit::MarvinMolBase... Generating docs for compound RDKit::MarvinSruCoModSgroup... Generating docs for compound RDKit::MarvinDataSgroup... Generating docs for compound RDKit::MarvinSuperatomSgroupExpanded... Generating docs for compound RDKit::MarvinMultipleSgroup... Ge/build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/Code/GraphMol/Resonance.h:114: 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) nerating docs for compound RDKit::MarvinMulticenterSgroup... Generating docs for compound RDKit::MarvinGenericSgroup... Generating docs for compound RDKit::MarvinMonomerSgroup... Generating docs for compound RDKit::MarvinSuperatomSgroup... Generating docs for compound RDKit::MarvinMol... Generating docs for compound RDKit::MarvinReaction... Generating docs for compound RDKit::MarvinStereoGroup... Generating docs for compound RDKit::MrvWriterParams... Generating docs for compound RDKit::MolBundle... Generating docs for compound RDKit::FixedMolSizeMolBundle... Generating docs for compound RDKit::MolCatalogEntry... Generating docs for compound RDKit::MolCatalogParams... Generating docs for compound RDKit::FeatureFileParseException... 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::DrawColour... Generating docs for compound RDKit::MolDrawOptions... Generating docs for compound RDKit::MolDraw2DJS... Generating docs for compound RDKit::MolDraw2DSVG... Generating docs for compound RDKit::MolDraw2Dwx... Generating docs for compound RDKit::MolDraw2DQt... Generating docs for compound RDKit::MolPicklerException... Generating docs for compound RDKit::MolPickler... Generating docs for compound RDKit::AtomMonomerInfo... Generating docs for compound RDKit::AtomPDBResidueInfo... Generating docs for compound RDKit::GasteigerParams... Generating docs for compound RDKit::PeriodicTable... Generating docs for compound RDKit::QueryAtom... Generating docs for compound RDKit::QueryBond... Generating docs for compound RDKit::AtomRingQuery... Generating docs for compound RDKit::RecursiveStructureQuery... Generating docs for compound RDKit::HasPropQuery< TargetPtr >... Generating docs for compound RDKit::HasPropWithValueQueryBase... Generating docs for compound RDKit::HasPropWithValueQuery< TargetPtr, T >... Generating docs for compound RDKit::HasPropWithValueQuery< TargetPtr, std::string >... Generating docs for compound RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >... Generating docs for compound RDKit::ResonanceMolSupplierCallback... Generating docs for compound RDKit::ResonanceMolSupplier... Generating docs for compound RDKit::RCore... Generating docs for compound RDKit::RGroupData... Generating docs for compound RDKit::RGroupDecompositionProcessResult... Generating docs for compound RDKit::UsedLabelMap... Generating docs for compound RDKit::RGroupDecomposition... Generating docs for compound RDKit::RGroupDecompData... Generating docs for nested compound RDKit::RGroupDecompData::UsedLabels... Generating docs for compound RDKit::RGroupDecompositionParameters... Generating docs for compound RDKit::VarianceDataForLabel... Generating docs for compound RDKit::FingerprintVarianceScoreData... Generating docs for compound RDKit::RGroupDecompositionChromosome... Generating docs for compound RDKit::GaResult... Generating docs for compound RDKit::RGroupGa... Generating docs for compound RDKit::RGroupMatch... Generating docs for compound RDKit::CartesianProduct... Generating docs for compound RDKit::RGroupScorer... Generating docs for compound RDKit::RingInfo... 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::ROMol... Generating docs for compound RDKit::RWMol... Generating docs for compound RDKit::MolSanitizeException... Generating docs for compound RDKit::AtomSanitizeException... Generating docs for compound RDKit::AtomValenceException... Generating docs/build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/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-202603.4/Code/GraphMol/Fingerprints/FingerprintUtil.h:75: 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-202603.4/Code/GraphMol/Canon.h:98: 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' for compound RDKit::AtomKekulizeException... Generating docs for compound RDKit::KekulizeException... Generating docs for compound RDKit::SLNParseException... Generating docs for compound RDKit::RigorousEnhancedStereoException... Generating docs for compound RDKit::SmilesWriteParams... Generating docs for compound RDKit::StereoGroup... Generating docs for compound RDKit::SubsetOptions... Generating docs for compound RDKit::SubsetInfo... Generating docs for compound RDKit::SubstanceGroupException... 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::SubstructMatchParameters... Generating docs for compound RDKit::MolMatchFinalCheckFunctor... Generating docs for compound RDKit::AtomCoordsMatchFunctor... Generating docs for compound RDKit::MolHolderBase... Generating docs for compound RDKit::MolHolder... Generating docs for compound RDKit::CachedMolHolder... Generating docs for compound RDKit::CachedSmilesMolHolder... Generating docs for compound RDKit::CachedTrustedSmilesMolHolder... Generating docs for compound RDKit::FPHolderBase... Generating docs for compound RDKit::PatternHolder... Generating docs for compound RDKit::TautomerPatternHolder... Generating docs for compound RDKit::KeyHolderBase... Generating docs for compound RDKit::KeyFromPropHolder... Generating docs for compound RDKit::SubstructLibrary... Generating docs for compound RDKit::TautomerQuery... Generating docs for compound RDKit::Snapshot... Generating docs for compound RDKit::Trajectory... Generating docs for compound RDKit::DataStructsExplicitBitVecPropHandler... Generating docs for compound RDKit::DiscreteDistMat... Generating docs for compound RDKit::DiscreteValueVect... Generating docs for compound RDKit::FPBReader... Generating docs for compound RDKit::MultiFPBReader... Generating docs for compound RDKit::RealValueVect... Generating docs for compound RDKit::SparseIntVect< IndexType >... Generating docs for compound RDKit::BadFileException... Generating docs for compound RDKit::ControlCCaught... Generating docs for compound RDKit::ControlCHandler... Generating docs for compound RDKit::Dict... Generating docs for nested compound RDKit::Dict::Pair... Generating docs for compound RDKit::PairHolder... Generating docs for compound RDKit::FileParseException... Generating docs for compound RDKit::RDAny... Generating docs for compound RDKit::RDProps... Generating docs for compound RDKit::RDValue... Generating docs for compound RDKit::CustomPropHandler... Generating docs for compound RDKit::ltDouble... Generating docs for compound RDKit::larger_of< T >... Generating docs for compound RDKit::charptr_functor... Generating docs for compound RDKit::ExtendedQueryMol... 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::MolStackUnion... Generating docs for compound RDKit::Canon::MolStackElem... Generating docs for compound RDKit::Canon::bondholder... Generating docs for compound RDKit::Canon::canon_atom... Generating docs for compound RDKit::Canon::SpecialChiralityAtomCompareFunctor... Generating docs for compound RDKit::Canon::SpecialSymmetryAtomCompareFunctor... Generating docs for compound /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Chirality.h:425: 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-202603.4/Code/GraphMol/Chirality.h:143: warning: The following parameter of RDKit::Chirality::findPotentialStereo(ROMol &mol, bool cleanIt, bool flagPossible=true) is not documented: parameter 'flagPossible' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/Chirality.h:195: warning: The following parameter of RDKit::Chirality::getTrigonalBipyramidalAxialBond(const Atom *center, int which=0) is not documented: parameter 'center' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/CIPLabeler.h:46: warning: The following parameter of RDKit::CIPLabeler::assignCIPLabels(ROMol &mol, unsigned int maxRecursiveIterations=0) is not documented: parameter 'maxRecursiveIterations' /build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/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-202603.4/Code/GraphMol/DistGeomHelpers/Embedder.h:306: 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-202603.4/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h:37: warning: The following parameters 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) are not documented: parameter 'forceTransAmides' parameter 'set14bounds' parameter 'set13bounds' RDKit::Canon::AtomCompareFunctor... Generating docs for compound RDKit::Canon::ChiralAtomCompareFunctor... 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::MaxIterationsExceeded... 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::CIPMol... Generating docs for compound RDKit::CIPLabeler::AtropisomerBond... Generating docs for compound RDKit::CIPLabeler::Configuration... Generating docs for compound RDKit::CIPLabeler::Sp2Bond... Generating docs for compound RDKit::CIPLabeler::Tetrahedral... Generating docs for compound RDKit::CIPLabeler::Digraph... Generating docs for compound RDKit::CIPLabeler::Edge... Generating docs for compound RDKit::CIPLabeler::Node... Generating docs for compound RDKit::CIPLabeler::Priority... Generating docs for compound RDKit::CIPLabeler::PairList... 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::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::CrippenParams... Generating docs for compound RDKit::Descriptors::CrippenParamCollection... Generating docs for compound RDKit::Descriptors::DoubleCubicLatticeVolume... Generating docs for compound RDKit::Descriptors::PropertyFunctor... Generating docs for compound RDKit::Descriptors::Properties... Generating docs for namespace RDKit::Descriptors::detail Generating docs for namespace RDKit::detail Generating docs for compound RDKit::detail::MCSParametersInternal... Generating docs for namespace RDKit::details Generating docs for namespace RDKit::DGeomHelpers Generating docs for compound RDKit::DGeomHelpers::EmbedParameters... 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/build/reproducible-path/rdkit-202603.4/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-202603.4/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign/AlignMolecules.h:271: warning: argument 'numThreads' of command @param is not found in the argument list of RDKit::MolAlign::getAllConformerBestRMS(const ROMol &mol, const BestAlignmentParams ¶ms) /build/reproducible-path/rdkit-202603.4/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-202603.4/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' 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::ExecStatistics... Generating docs for compound RDKit::FMCS::DuplicatedSeedCache... Generating docs for nested compound RDKit::FMCS::DuplicatedSeedCache::TKey... Generating docs for compound RDKit::FMCS::Graph... Generating docs for compound RDKit::FMCS::TArray2D< T >... 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 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::ShapeInputOptions... Generating docs for compound RDKit::GaussianShape::ShapeInput... 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::MolAlignException... Generating docs for compound RDKit::MolAlign::BestAlignmentParams... Generating docs for compound RDKit::MolAlign::O3AFuncData... Generating docs for compound RDKit::MolAlign::O3AConstraint... Generating docs for compound RDKit::MolAlign::O3AConstraintVect... Generating docs for compound RDKit::MolAlign::MolHistogram... Generating docs for compound RDKit::MolAlign::LAP... Generating docs for compound RDKit::MolAlign::SDM... Generating docs for compound RDKit::MolAlign::O3A... 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 compo/build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/Code/GraphMol/MolInterchange/MolInterchange.h:80: 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-202603.4/Code/GraphMol/MolInterchange/MolInterchange.h:89: warning: The following parameter of RDKit::MolInterchange::MolToJSONData(const T &mol, const JSONWriteParameters ¶ms=defaultJSONWriteParameters) is not documented: parameter 'params' /build/reproducible-path/rdkit-202603.4/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-202603.4/Code/GraphMol/MolOps.h:1361: 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-202603.4/Code/GraphMol/MolOps.h:1361: 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-202603.4/Code/GraphMol/MolOps.h:1378: warning: argument 'mol' of command @param is not found in the argument list of RDKit::MolOps::details::isAttachmentPoint(const Atom *atom, bool markedOnly=true) /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolOps.h:1378: warning: The following parameter of RDKit::MolOps::details::isAttachmentPoint(const Atom *atom, bool markedOnly=true) is not documented: parameter 'atom' und RDKit::MolDraw2D_detail::DrawMolMCH... Generating docs for compound RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine... Generating docs for compound RDKit::MolDraw2D_detail::LinePair... Generating docs for compound RDKit::MolDraw2D_detail::DrawMolMCHLasso... Generating docs for compound RDKit::MolDraw2D_detail::DrawShape... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeArrow... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeEllipse... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeSimpleLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapePolyLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeSolidWedge... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeDashedWedge... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeWavyLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeArc... 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::DrawTextFTSVG... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextJS... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextNotFT... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextSVG... Generating docs for compound RDKit::MolDraw2D_detail::SGroupDataLabel... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTQt... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextQt... 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::MolEnumeratorOp... Generating docs for compound RDKit::MolEnumerator::PositionVariationOp... Generating docs for compound RDKit::MolEnumerator::LinkNodeOp... Generating docs for compound RDKit::MolEnumerator::RepeatUnitOp... Generating docs for compound RDKit::MolEnumerator::MolEnumeratorParams... 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::ChargeCorrection... Generating docs for compound RDKit::MolStandardize::Reionizer... Generating docs for compound RDKit::MolStandardize::Uncharger... Generating docs for compound RDKit::MolStandardize::FragmentRemover... Generating docs for compound RDKit::MolStandardize::LargestFragmentChooser... Generating docs for nested compound RDKit::MolStandardize::LargestFragmentChooser::Largest... Generating docs for comp/build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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' /build/reproducible-path/rdkit-202603.4/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' ound RDKit::MolStandardize::FragmentCatalogEntry... Generating docs for compound RDKit::MolStandardize::FragmentCatalogParams... Generating docs for compound RDKit::MolStandardize::MetalDisconnectorOptions... Generating docs for compound RDKit::MolStandardize::MetalDisconnector... Generating docs for compound RDKit::MolStandardize::CleanupParameters... Generating docs for compound RDKit::MolStandardize::Normalizer... Generating docs for compound RDKit::MolStandardize::PipelineOptions... Generating docs for compound RDKit::MolStandardize::PipelineLogEntry... Generating docs for compound RDKit::MolStandardize::PipelineResult... Generating docs for compound RDKit::MolStandardize::Pipeline... Generating docs for compound RDKit::MolStandardize::Tautomer... Generating docs for compound RDKit::MolStandardize::TautomerEnumeratorResult... Generating docs for nested compound RDKit::MolStandardize::TautomerEnumeratorResult::const_iterator... Generating docs for compound RDKit::MolStandardize::TautomerEnumeratorCallback... Generating docs for compound RDKit::MolStandardize::TautomerEnumerator... Generating docs for compound RDKit::MolStandardize::TautomerCatalogEntry... Generating docs for compound RDKit::MolStandardize::TautomerTransform... Generating docs for compound RDKit::MolStandardize::TautomerCatalogParams... Generating docs for compound RDKit::MolStandardize::TransformCatalogEntry... Generating docs for compound RDKit::MolStandardize::TransformCatalogParams... Generating docs for compound RDKit::MolStandardize::ValidationMethod... Generating docs for compound RDKit::MolStandardize::CompositeValidation... Generating docs for compound RDKit::MolStandardize::RDKitValidation... Generating docs for compound RDKit::MolStandardize::NoAtomValidation... Generating docs for compound RDKit::MolStandardize::FragmentValidation... Generating docs for compound RDKit::MolStandardize::NeutralValidation... Generating docs for compound RDKit::MolStandardize::IsotopeValidation... Generating docs for compound RDKit::MolStandardize::MolVSValidation... Generating docs for compound RDKit::MolStandardize::AllowedAtomsValidation... 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::Is2DValidation... Generating docs for compound RDKit::MolStandardize::Layout2DValidation... Generating docs for compound RDKit::MolStandardize::StereoValidation... Generating docs for namespace RDKit::MolStandardize::defaults 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 >... Generating 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 /build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h:305: warning: The following parameter of RDKit::SynthonSpaceSearch::SynthonSpace::readTextFile(const std::string &inFilename, bool &cancelled) is not documented: parameter 'cancelled' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h:216: warning: The following parameter of RDKit::SynthonSpaceSearch::SynthonSpace::substructureSearch(const GeneralizedSubstruct::ExtendedQueryMol &query, const SubstructMatchParameters &matchParams=SubstructMatchParameters(), const SynthonSpaceSearchParams ¶ms=SynthonSpaceSearchParams()) is not documented: parameter 'matchParams' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h:199: warning: The following parameter of RDKit::SynthonSpaceSearch::SynthonSpace::substructureSearch(const ROMol &query, const SearchResultCallback &callback, const SubstructMatchParameters &matchParams=SubstructMatchParameters(), const SynthonSpaceSearchParams ¶ms=SynthonSpaceSearchParams()) is not documented: parameter 'matchParams' /build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.h:185: warning: The following parameter of RDKit::SynthonSpaceSearch::SynthonSpace::substructureSearch(const ROMol &query, const SubstructMatchParameters &matchParams=SubstructMatchParameters(), const SynthonSpaceSearchParams ¶ms=SynthonSpaceSearchParams()) is not documented: parameter 'matchParams' /build/reproducible-path/rdkit-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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' 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::ChargeFix... Generating docs for compound RDKit::StructureCheck::Ligand... Generating docs for compound RDKit::StructureCheck::AugmentedAtom... Generating docs for compound RDKit::StructureCheck::IncEntry... Generating docs for compound RDKit::StructureCheck::PathEntry... Generating docs for compound RDKit::StructureCheck::StructCheckerOptions... Generating docs for compound RDKit::StructureCheck::StructChecker... Generating docs for compound RDKit::StructureCheck::StructCheckTautomer... Generating docs for compound RDKit::StructureCheck::Neighbourhood... Generating docs for namespace RDKit::Subgraphs Generating docs for namespace RDKit::SubstanceGroupChecks Generating docs for namespace RDKit::SynthonSpaceSearch Generating docs for compound RDKit::SynthonSpaceSearch::SearchResults... Generating docs for compound RDKit::SynthonSpaceSearch::Synthon... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSet... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpace... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceFingerprintSearcher... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceHitSet... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceRascalSearcher... Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceSearcher... 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 compou/build/reproducible-path/rdkit-202603.4/Code/GraphMol/FileParsers/CDXMLParser.h:143: 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-202603.4/Code/GraphMol/FileParsers/CDXMLParser.h:143: 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-202603.4/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-202603.4/Code/GraphMol/FileParsers/CDXMLParser.h:65: 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-202603.4/Code/GraphMol/FileParsers/CDXMLParser.h:65: 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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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-202603.4/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 nd RDKit::Utils::LocaleSwitcher... Generating docs for namespace RDKit::Utils::detail Generating docs for namespace RDKit::v1 Generating docs for compound RDKit::v1::MolSupplier... Generating docs for compound RDKit::v1::ForwardSDMolSupplier... Generating docs for compound RDKit::v1::SDMolSupplier... Generating docs for compound RDKit::v1::SmilesMolSupplier... Generating docs for compound RDKit::v1::TDTMolSupplier... Generating docs for compound RDKit::v1::SmilesParserParams... Generating docs for compound RDKit::v1::SmartsParserParams... Generating docs for compound RDKit::v1::MolFileUnhandledFeatureException... Generating docs for compound RDKit::v1::PDBParserParams... Generating docs for compound RDKit::v1::SmilesParseException... 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::MolFileUnhandledFeatureException... Generating docs for compound RDKit::v2::FileParsers::MolFileParserParams... Generating docs for compound RDKit::v2::FileParsers::MolFromSCSRParams... Generating docs for compound RDKit::v2::FileParsers::TPLParserParams... Generating docs for compound RDKit::v2::FileParsers::Mol2ParserParams... Generating docs for compound RDKit::v2::FileParsers::PDBParserParams... Generating docs for compound RDKit::v2::FileParsers::MolSupplier... Generating docs for compound RDKit::v2::FileParsers::ForwardSupplierIter< Supplier >... Generating docs for compound RDKit::v2::FileParsers::ForwardSDMolSupplier... Generating docs for compound RDKit::v2::FileParsers::RandomAccessSupplierIter< Supplier >... Generating docs for compound RDKit::v2::FileParsers::SDMolSupplier... Generating docs for compound RDKit::v2::FileParsers::SmilesMolSupplierParams... Generating docs for compound RDKit::v2::FileParsers::SmilesMolSupplier... Generating docs for compound RDKit::v2::FileParsers::TDTMolSupplierParams... Generating docs for compound RDKit::v2::FileParsers::TDTMolSupplier... 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 RDMIF 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... type lookup cache used 17402/65536 hits=69679 misses=22143 symbol lookup cache used 33049/65536 hits=260088 misses=33049 finished... 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/build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython] /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInPython.rst:1154: WARNING: duplicate label stereochemistry in substructure matches, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython] /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInPython.rst:1192: WARNING: duplicate label atom map indices in smarts, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython] /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInPython.rst:3362: WARNING: duplicate label substructure searching, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInPython.rst [autosectionlabel.GettingStartedInPython] /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInPython.rst:3660: WARNING: duplicate label the sssr problem, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython] /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInPython.rst:4074: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/Cookbook.rst [autosectionlabel.GettingStartedInPython] /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedWithContributing.md:437: WARNING: duplicate label building rdkit for development, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedWithContributing.md [autosectionlabel.GettingStartedWithContributing] /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedWithContributing.md:443: WARNING: duplicate label where should i put my code?, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedWithContributing.md [autosectionlabel.GettingStartedWithContributing] /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedWithContributing.md:447: WARNING: duplicate label coding standards, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedWithContributing.md [autosectionlabel.GettingStartedWithContributing] /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedWithContributing.md:460: WARNING: duplicate label tests, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedWithContributing.md [autosectionlabel.GettingStartedWithContributing] /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedWithContributing.md:494: WARNING: duplicate label documentation, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedWithContributing.md [autosectionlabel.GettingStartedWithContributing] /build/reproducible-path/rdkit-202603.4/Docs/Book/Install.md:437: WARNING: duplicate label recommended extras, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/Install.md [autosectionlabel.Install] /build/reproducible-path/rdkit-202603.4/Docs/Book/Install.md:481: WARNING: duplicate label testing the build (optional, but recommended), other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/Install.md [autosectionlabel.Install] /build/reproducible-path/rdkit-202603.4/Docs/Book/Install.md:486: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInPython.rst [autosectionlabel.Install] /build/reproducible-path/rdkit-202603.4/Docs/Book/Overview.md:106: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/Install.md [autosectionlabel.Overview] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:2835: WARNING: Title underline too short. Self-Contained Structure Representations (SCSR) for Macromolecules ******************* [docutils] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:2938: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:2942: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:2947: WARNING: Title underline too short. Hydrogen Bonds ------- [docutils] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:3025: ERROR: Error in "image" directive: no content permitted. .. image:: images/WobbleRna.png Full Example of SCSR files: [docutils] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:3028: WARNING: Explicit markup ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:179: WARNING: duplicate label aromaticity, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:388: WARNING: duplicate label dative bonds, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:703: WARNING: duplicate label stereochemistry, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/Cookbook.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:1432: WARNING: duplicate label chemical features, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInPython.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:2634: WARNING: duplicate label introduction, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/Cookbook.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:2732: WARNING: duplicate label rdkit fingerprints, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/GettingStartedInPython.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:2844: WARNING: duplicate label representation, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202603.4/Docs/Book/RDKit_Book.rst:3100: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Avalon.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Avalon] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Avalon.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Chem] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.rst:28: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Avalon.rst [autosectionlabel.source/rdkit.Chem] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.rst:120: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.AtomPairs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.Chem.AtomPairs] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.AtomPairs.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.ChemUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.AtomPairs.rst [autosectionlabel.source/rdkit.Chem.ChemUtils] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.ChemUtils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Draw.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.ChemUtils.rst [autosectionlabel.source/rdkit.Chem.Draw] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Draw.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.EState.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Draw.rst [autosectionlabel.source/rdkit.Chem.EState] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.EState.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.FeatMaps.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.EState.rst [autosectionlabel.source/rdkit.Chem.FeatMaps] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.FeatMaps.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Features.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.FeatMaps.rst [autosectionlabel.source/rdkit.Chem.Features] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Features.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Fingerprints.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Features.rst [autosectionlabel.source/rdkit.Chem.Fingerprints] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Fingerprints.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Fraggle.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Fingerprints.rst [autosectionlabel.source/rdkit.Chem.Fraggle] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Fraggle.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.MolDb.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Fraggle.rst [autosectionlabel.source/rdkit.Chem.MolDb] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.MolDb.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.MolKey.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.MolDb.rst [autosectionlabel.source/rdkit.Chem.MolKey] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.MolKey.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.MolStandardize.rst:6: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Pharm2D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.MolStandardize.rst [autosectionlabel.source/rdkit.Chem.Pharm2D] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Pharm2D.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Pharm3D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Pharm2D.rst [autosectionlabel.source/rdkit.Chem.Pharm3D] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Pharm3D.rst:14: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Scaffolds.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Pharm3D.rst [autosectionlabel.source/rdkit.Chem.Scaffolds] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Scaffolds.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Scaffolds.rst [autosectionlabel.source/rdkit.Chem.SimpleEnum] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Subshape.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.SimpleEnum.rst [autosectionlabel.source/rdkit.Chem.Subshape] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Subshape.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Suppliers.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Subshape.rst [autosectionlabel.source/rdkit.Chem.Suppliers] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Suppliers.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.fmcs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.Suppliers.rst [autosectionlabel.source/rdkit.Chem.fmcs] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.fmcs.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DataManip.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.DataManip] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DataManip.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DataManip.Metric.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Chem.fmcs.rst [autosectionlabel.source/rdkit.DataManip.Metric] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DataManip.Metric.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DataStructs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DataManip.Metric.rst [autosectionlabel.source/rdkit.DataStructs] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DataStructs.rst:18: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Dbase.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DataStructs.rst [autosectionlabel.source/rdkit.Dbase] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Dbase.rst:17: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DistanceGeometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Dbase.rst [autosectionlabel.source/rdkit.DistanceGeometry] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DistanceGeometry.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ForceField.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Geometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DistanceGeometry.rst [autosectionlabel.source/rdkit.Geometry] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Geometry.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.DataManip.rst [autosectionlabel.source/rdkit.ML] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.rst:18: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Geometry.rst [autosectionlabel.source/rdkit.ML] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.rst:26: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Cluster.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.ML.Cluster] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Cluster.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Data.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Cluster.rst [autosectionlabel.source/rdkit.ML.Data] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Data.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Descriptors.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Data.rst [autosectionlabel.source/rdkit.ML.Descriptors] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Descriptors.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.InfoTheory.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Descriptors.rst [autosectionlabel.source/rdkit.ML.InfoTheory] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.InfoTheory.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.MLUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.InfoTheory.rst [autosectionlabel.source/rdkit.ML.MLUtils] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.MLUtils.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.SLT.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.MLUtils.rst [autosectionlabel.source/rdkit.ML.SLT] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.SLT.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Scoring.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.SLT.rst [autosectionlabel.source/rdkit.ML.Scoring] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Scoring.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Numerics.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.Scoring.rst [autosectionlabel.source/rdkit.Numerics] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Numerics.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.SimDivFilters.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.Numerics.rst [autosectionlabel.source/rdkit.SimDivFilters] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.SimDivFilters.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.VLib.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.VLib] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.VLib.rst:12: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.SimDivFilters.rst [autosectionlabel.source/rdkit.VLib] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.VLib.rst:23: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.VLib.NodeLib.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.VLib.rst [autosectionlabel.source/rdkit.VLib.NodeLib] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.VLib.NodeLib.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.utils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.VLib.NodeLib.rst [autosectionlabel.source/rdkit.utils] /build/reproducible-path/rdkit-202603.4/Docs/Book/source/rdkit.utils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202603.4/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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 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 218, in _import_module raise ModuleNotFoundError(msg, name=modname) # NoQA: TRY301 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ModuleNotFoundError: No module named 'rdkit' [autodoc.import_object] looking for now-outdated files... none found pickling environment... done checking consistency... /build/reproducible-path/rdkit-202603.4/Docs/Book/data/README.md: WARNING: document isn't included in any toctree [toc.not_included] done preparing documents... done copying assets... copying downloadable files... 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[ 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, 391 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-202603.4/Docs/Book' # latexpdf build fails due to https://github.com/rdkit/rdkit/issues/8850 # (cd /build/reproducible-path/rdkit-202603.4/Docs/Book; RDBASE=/build/reproducible-path/rdkit-202603.4 /usr/bin/make latexpdf) make[1]: Leaving directory '/build/reproducible-path/rdkit-202603.4' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/rdkit-202603.4' cp -r rdkit obj-*/ find /build/reproducible-path/rdkit-202603.4 -name rdchem.so /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so PYTHONPATH=/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/:/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//rdkit/Chem/ LD_LIBRARY_PATH="/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib:" dh_auto_test cd obj-x86_64-linux-gnu && make -j6 test ARGS\+=--verbose ARGS\+=-j6 make[2]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' Running tests... /usr/bin/ctest --timeout=7200 --verbose -j6 UpdateCTestConfiguration from :/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/DartConfiguration.tcl Parse Config file:/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu 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-202603.4/obj-x86_64-linux-gnu/External/CoordGen/testCoordGen 1: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/CoordGen 1: Test timeout computed to be: 7200 test 2 Start 2: pyCoordGen 2: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/External/CoordGen/Wrap/testCoordGen.py" 2: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/External/CoordGen/Wrap 2: Test timeout computed to be: 7200 test 3 Start 3: testDict 3: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral/testDict 3: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral 3: Test timeout computed to be: 7200 test 4 Start 4: testRDValue 4: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral/testRDValue 4: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral 4: Test timeout computed to be: 7200 test 5 Start 5: testConcurrentQueue 5: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral/testConcurrentQueue 5: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral 5: Test timeout computed to be: 7200 test 6 Start 6: dictTestsCatch 6: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral/dictTestsCatch 6: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral 6: Test timeout computed to be: 7200 3: Randomness seeded to: 2030892386 3: static boost any:0.000257 s 3: dynamic boost any:0.000628 s 3: static RDAny:9.9e-05 s 3: dynamic RDAny:0.000683 s 3: static RDValue:0 s 3: dynamic RDValue:1e-06 s 3: [07:01:09] done: 0.000277 300000 3: [07:01:09] done: 0.000406 300000 3: [07:01:09] done: 0.000274 300000 4: Randomness seeded to: 1089525747 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: 3: [07:01:09] done: 0.001606 300000 1/256 Test #4: testRDValue ............................ Passed 0.01 sec test 7 Start 7: logTestsCatch 7: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral/logTestsCatch 7: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/RDGeneral 7: Test timeout computed to be: 7200 3: [07:01:09] done: 0.000291 300000 3: =============================================================================== 3: All tests passed (227 assertions in 10 test cases) 3: 2/256 Test #3: testDict ............................... Passed 0.01 sec test 8 Start 8: testDataStructs 8: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/testDataStructs 8: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs 8: Test timeout computed to be: 7200 7: [07:01:09] should not be silent 7: [07:01:09] should not be silent 7: Randomness seeded to: 1735301154 7: [07:01:09] should not be silent 7: [07:01:09] should not be silent 7: [07:01:09] should not be silent 7: [07:01:09] should not be silent 7: [07:01:09] should not be silent 7: [07:01:09] should not be silent 7: [07:01:09] should not be silent 7: [07:01:09] after restore 7: [07:01:09] test warning 7: [07:01:09] should not be silent 7: =============================================================================== 7: All tests passed (44 assertions in 4 test cases) 7: 6: Randomness seeded to: 4141303987 6: =============================================================================== 6: All tests passed (40 assertions in 4 test cases) 6: 3/256 Test #7: logTestsCatch .......................... Passed 0.00 sec 4/256 Test #6: dictTestsCatch ......................... Passed 0.01 sec test 9 Start 9: testFPB 9: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/testFPB 9: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs 9: Test timeout computed to be: 7200 test 10 Start 10: testMultiFPB 10: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/testMultiFPB 10: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs 10: Test timeout computed to be: 7200 8: Randomness seeded to: 3453491693 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 9: Randomness seeded to: 1535456922 9: =============================================================================== 9: All tests passed (632 assertions in 12 test cases) 9: 5/256 Test #9: testFPB ................................ Passed 0.01 sec test 11 Start 11: catchDataStructs 11: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/catchDataStructs 11: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs 11: 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: 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: 11: Randomness seeded to: 2304477959 11: =============================================================================== 11: All tests passed (12 assertions in 2 test cases) 11: 6/256 Test #11: catchDataStructs ....................... Passed 0.00 sec 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: test 12 Start 12: pyBV 12: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/DataStructs/Wrap/testBV.py" 12: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/Wrap 12: Test timeout computed to be: 7200 7/256 Test #8: testDataStructs ........................ Passed 0.02 sec 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: test 13 Start 13: pyDiscreteValueVect 13: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/DataStructs/Wrap/testDiscreteValueVect.py" 13: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/Wrap 13: Test timeout computed to be: 7200 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: -0.2902 0.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5740 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4418 0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.3060 0.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.3024 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4454 -0.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5812 -1.0813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2866 -0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1508 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.0186 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.0222 0.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.8828 -1.0937 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: 10: Randomness seeded to: 2606976984 10: =============================================================================== 10: All tests passed (228 assertions in 7 test cases) 10: 8/256 Test #10: testMultiFPB ........................... Passed 0.04 sec test 14 Start 14: pyRealValueVect 14: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/DataStructs/Wrap/testRealValueVect.py" 14: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/Wrap 14: 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: 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: 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: 9/256 Test #1: testCoordGen ........................... Passed 0.16 sec test 15 Start 15: pySparseIntVect 15: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/DataStructs/Wrap/testSparseIntVect.py" 15: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/Wrap 15: Test timeout computed to be: 7200 13: ...... 13: ---------------------------------------------------------------------- 13: Ran 6 tests in 0.057s 13: 13: OK 2: .... 2: ---------------------------------------------------------------------- 2: Ran 4 tests in 0.014s 2: 2: OK 10/256 Test #13: pyDiscreteValueVect .................... Passed 0.17 sec test 16 Start 16: pyFPB 16: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/DataStructs/Wrap/testFPB.py" 16: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataStructs/Wrap 16: Test timeout computed to be: 7200 11/256 Test #2: pyCoordGen ............................. Passed 0.21 sec test 17 Start 17: testTransforms 17: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry/testTransforms 17: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry 17: Test timeout computed to be: 7200 17: Randomness seeded to: 2386718802 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: 12/256 Test #17: testTransforms ......................... Passed 0.01 sec test 18 Start 18: testGrid 18: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry/testGrid 18: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry 18: Test timeout computed to be: 7200 18: Randomness seeded to: 2197012746 18: =============================================================================== 18: All tests passed (79 assertions in 5 test cases) 18: 13/256 Test #18: testGrid ............................... Passed 0.01 sec test 19 Start 19: testRealValueGrid 19: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry/testRealValueGrid 19: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry 19: Test timeout computed to be: 7200 15: ......... 15: ---------------------------------------------------------------------- 15: Ran 9 tests in 0.003s 15: 15: OK 14: ...... 14: ---------------------------------------------------------------------- 14: Ran 6 tests in 0.055s 14: 14: OK 14/256 Test #15: pySparseIntVect ........................ Passed 0.10 sec test 20 Start 20: geometryTestsCatch 20: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry/geometryTestsCatch 20: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry 20: Test timeout computed to be: 7200 20: Randomness seeded to: 4008410113 20: =============================================================================== 20: All tests passed (98 assertions in 6 test cases) 20: 15/256 Test #20: geometryTestsCatch ..................... Passed 0.01 sec test 21 Start 21: testPyGeometry 21: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/Geometry/Wrap/testGeometry.py" 21: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Geometry/Wrap 21: Test timeout computed to be: 7200 16/256 Test #14: pyRealValueVect ........................ Passed 0.22 sec test 22 Start 22: testMatrices 22: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/testMatrices 22: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics 22: Test timeout computed to be: 7200 19: Randomness seeded to: 240398096 19: =============================================================================== 19: All tests passed (52 assertions in 4 test cases) 19: 17/256 Test #19: testRealValueGrid ...................... Passed 0.04 sec test 23 Start 23: testConrec 23: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/testConrec 23: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics 23: Test timeout computed to be: 7200 22: Randomness seeded to: 389243640 22: =============================================================================== 22: All tests passed (81 assertions in 4 test cases) 22: 18/256 Test #22: testMatrices ........................... Passed 0.01 sec test 24 Start 24: testAlignment 24: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Alignment/testAlignment 24: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Alignment 24: Test timeout computed to be: 7200 24: Randomness seeded to: 2859535561 24: =============================================================================== 24: All tests passed (26 assertions in 4 test cases) 24: 19/256 Test #24: testAlignment .......................... Passed 0.01 sec test 25 Start 25: pyAlignment 25: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/Numerics/Alignment/Wrap/testAlignment.py" 25: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap 25: Test timeout computed to be: 7200 23: Randomness seeded to: 3031460880 23: =============================================================================== 23: All tests passed (76 assertions in 3 test cases) 23: 20/256 Test #23: testConrec ............................. Passed 0.02 sec test 26 Start 26: testOptimizer 26: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/testOptimizer 26: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Numerics/Optimizer 26: Test timeout computed to be: 7200 26: Randomness seeded to: 1805276876 26: =============================================================================== 26: All tests passed (29 assertions in 3 test cases) 26: 21/256 Test #26: testOptimizer .......................... Passed 0.01 sec test 27 Start 27: ForceFieldsCatch 27: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/ForceFieldsCatch 27: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField 27: Test timeout computed to be: 7200 16: ......... 16: ---------------------------------------------------------------------- 16: Ran 9 tests in 0.012s 16: 16: OK 27: Randomness seeded to: 1252875539 27: =============================================================================== 27: All tests passed (20 assertions in 2 test cases) 27: 22/256 Test #27: ForceFieldsCatch ....................... Passed 0.01 sec test 28 Start 28: testUFFForceField 28: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/UFF/testUFFForceField 28: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/UFF 28: Test timeout computed to be: 7200 23/256 Test #16: pyFPB .................................. Passed 0.12 sec test 29 Start 29: testMMFFForceField 29: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/MMFF/testMMFFForceField 29: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/MMFF 29: 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. 29: ------------------------------------- 29: Official MMFF validation suite. 21: .................... 21: ---------------------------------------------------------------------- 21: Ran 20 tests in 0.027s 21: 21: OK 21: Testing Geometry wrapper 24/256 Test #21: testPyGeometry ......................... Passed 0.12 sec test 30 Start 30: pyForceFieldConstraints 30: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/ForceField/Wrap/testConstraints.py" 30: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ForceField/Wrap 30: Test timeout computed to be: 7200 28: done 28: ------------------------------------- 28: Unit tests for copying UFF ForceFields. 28: done 28: ------------------------------------- 28: Unit test for UFF butane scan. 25: ..... 25: ---------------------------------------------------------------------- 25: Ran 5 tests in 0.001s 25: 25: OK 25: Testing Alignment Wrapper code: 25/256 Test #25: pyAlignment ............................ Passed 0.16 sec test 31 Start 31: testDistGeom 31: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom/testDistGeom 31: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom 31: Test timeout computed to be: 7200 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf... 31: Randomness seeded to: 138348274 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: 26/256 Test #31: testDistGeom ........................... Passed 0.02 sec test 32 Start 32: pyDistGeom 32: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/DistGeom/Wrap/rough_test.py" 32: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DistGeom/Wrap 32: Test timeout computed to be: 7200 28: done 28: ------------------------------------- 28: Test finite difference gradient check (P(F)(F)F). 28: done 27/256 Test #28: testUFFForceField ...................... Passed 0.19 sec test 33 Start 33: graphmolTest1 33: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 33: Test timeout computed to be: 7200 33: Atoms: 33: 0 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: 33: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 33: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 33: 3 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 33: 4 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 33: 5 6 C chg: 0 deg: 1 exp: 3 imp: 1 hyb: 33: 6 6 C chg: 0 deg: 2 exp: 4 imp: 0 hyb: 33: 7 7 N chg: 0 deg: 2 exp: N/A imp: N/A hyb: arom?: 1 query: AtomAtomicNum 33: 8 22 Ti chg: 0 deg: 1 exp: N/A imp: N/A hyb: 33: Bonds: 33: 0 0->1 order: 1 33: 1 1->2 order: 2 33: 2 2->3 order: 1 33: 3 0->4 order: 1 33: 4 5->6 order: 3 33: 5 6->7 order: 1 33: 6 7->8 order: 2 33: [07:01:10] 33: 33: **** 33: Pre-condition Violation 33: bond already exists 33: Violation occurred on line 507 in file ./Code/GraphMol/RWMol.cpp 33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second) 33: ---------- 33: Stacktrace: 33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 33: 3# 0x0000000000027516 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 4# 0x0000000000020D81 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 5# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 6# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 7# 0x0000000000020E21 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: ---------- 33: **** 33: 33: [07:01:10] 33: 33: **** 33: Pre-condition Violation 33: bond already exists 33: Violation occurred on line 507 in file ./Code/GraphMol/RWMol.cpp 33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second) 33: ---------- 33: Stacktrace: 33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 33: 3# 0x0000000000014597 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 4# 0x0000000000020D81 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 5# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 6# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 7# 0x0000000000020E21 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: ---------- 33: **** 33: 33: [07:01:10] 33: 33: **** 33: Pre-condition Violation 33: attempt to add self-bond 33: Violation occurred on line 506 in file ./Code/GraphMol/RWMol.cpp 33: Failed Expression: atomIdx1 != atomIdx2 33: ---------- 33: Stacktrace: 33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 33: 3# 0x0000000000014696 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 4# 0x0000000000020D81 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 5# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 6# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 7# 0x0000000000020E21 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: ---------- 33: **** 33: 33: [07:01:10] 33: 33: **** 33: Pre-condition Violation 33: bond already exists 33: Violation occurred on line 412 in file ./Code/GraphMol/ROMol.cpp 33: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second) 33: ---------- 33: Stacktrace: 33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 33: 3# 0x00000000000146D3 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 4# 0x0000000000020D81 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 5# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 6# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 7# 0x0000000000020E21 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: ---------- 33: **** 33: 33: [07:01:10] 33: 33: **** 33: Pre-condition Violation 33: attempt to add self-bond 33: Violation occurred on line 410 in file ./Code/GraphMol/ROMol.cpp 33: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx() 33: ---------- 33: Stacktrace: 33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 33: 3# 0x0000000000014471 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 4# 0x0000000000020D81 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 5# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 6# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 7# 0x0000000000020E21 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: ---------- 33: **** 33: 33: [07:01:10] Explicit valence for atom # 0 B, 4, is greater than permitted 33: [07:01:10] Explicit valence for atom # 0 B, 4, is greater than permitted 33: [07:01:10] 33: 33: **** 33: Post-condition Violation 33: Element 'Xx' not found 33: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 33: Failed Expression: anum > -1 33: ---------- 33: Stacktrace: 33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 3# 0x000000000004E19B in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 4# 0x0000000000032D23 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 5# 0x0000000000020D90 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 6# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 7# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 8# 0x0000000000020E21 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: ---------- 33: **** 33: 33: [07:01:10] ------------------------------------- 33: [07:01:10] Test github381: thread-safe initialization of the periodic table 33: [07:01:10] done 33: [07:01:10] ------------------------------------- 33: [07:01:10] Test github1041: Segfault for atom with no owner (expect some warnings) 33: [07:01:10] 33: 33: **** 33: Pre-condition Violation 33: no owner 33: Violation occurred on line 157 in file ./Code/GraphMol/Atom.h 33: Failed Expression: dp_mol 33: ---------- 33: Stacktrace: 33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 2# 0x000000000003FAFE in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 3# 0x0000000000020DBD in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 4# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 5# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 6# 0x0000000000020E21 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: ---------- 33: **** 33: 33: [07:01:10] 33: 33: **** 33: Pre-condition Violation 33: no owner 33: Violation occurred on line 188 in file ./Code/GraphMol/Bond.h 33: Failed Expression: dp_mol 33: ---------- 33: Stacktrace: 33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 2# 0x000000000002068D in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 3# 0x0000000000020DBD in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 4# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 5# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 6# 0x0000000000020E21 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: ---------- 33: **** 33: 33: [07:01:10] done 33: [07:01:10] ------------------------------------- 33: [07:01:10] Test github1041: Segfault for atom with no owner (expect some warnings) 33: [07:01:10] 33: 33: **** 33: Pre-condition Violation 33: no owner 33: Violation occurred on line 157 in file ./Code/GraphMol/Atom.h 33: Failed Expression: dp_mol 33: ---------- 33: Stacktrace: 33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 2# 0x000000000003FAFE in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 3# 0x0000000000020DC2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 4# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 5# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 6# 0x0000000000020E21 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: ---------- 33: **** 33: 33: [07:01:10] 33: 33: **** 33: Pre-condition Violation 33: no owner 33: Violation occurred on line 188 in file ./Code/GraphMol/Bond.h 33: Failed Expression: dp_mol 33: ---------- 33: Stacktrace: 33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 33: 2# 0x000000000002068D in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 3# 0x0000000000020DC2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: 4# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 5# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 33: 6# 0x0000000000020E21 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1 33: ---------- 33: **** 33: 33: [07:01:10] done 33: [07:01:10] ------------------------------------- 33: [07:01:10] Test github1453: RWMol.clear() should reset the numBonds count. 33: [07:01:10] done 33: [07:01:10] ------------------------------------- 33: [07:01:10] Test range-based for loops. 33: [07:01:10] done 33: [07:01:10] ------------------------------------- 33: [07:01:10] Test github1642: Atom index type is too low for big molecules. 32: ...... 32: ---------------------------------------------------------------------- 32: Ran 6 tests in 0.001s 32: 32: OK 28/256 Test #32: pyDistGeom ............................. Passed 0.32 sec test 34 Start 34: graphmolcpTest 34: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolcpTest 34: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 34: Test timeout computed to be: 7200 30: ...[07:01:10] Molecule does not have explicit Hs. Consider calling AddHs() 34: 34: 34: 34: COPY 29/256 Test #34: graphmolcpTest ......................... Passed 0.03 sec test 35 Start 35: graphmolqueryTest 35: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolqueryTest 35: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 35: Test timeout computed to be: 7200 35: [07:01:10] ---------------------- Test1 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test2 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test3 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test4 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test5 35: [07:01:10] Done! 35: [07:01:10] 35: 35: **** 35: Pre-condition Violation 35: Can't expand empty query 35: Violation occurred on line 29 in file ./Code/GraphMol/QueryAtom.cpp 35: Failed Expression: dp_query 35: ---------- 35: Stacktrace: 35: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 35: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 35: 2# RDKit::QueryAtom::expandQuery(Queries::Query*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 35: 3# 0x000000000001ADFF in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolqueryTest 35: 4# 0x0000000000015ECB in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolqueryTest 35: 5# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 35: 6# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 35: 7# 0x0000000000015F41 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolqueryTest 35: ---------- 35: **** 35: 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test issue 2892580 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test github issue 53: query molecules not matching [R] 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test queries using qualifiers instead of == 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test Github issue 165: radicals not used in atom-atom matching 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test extra atom queries 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test extra bond queries 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test num heteroatom neighbor queries 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test atom type queries 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Test Github #2471: dummy atom queries are flagged as complex 35: [07:01:10] Done! 35: [07:01:10] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery() 35: [07:01:10] Done! 30/256 Test #35: graphmolqueryTest ...................... Passed 0.01 sec test 36 Start 36: graphmolMolOpsTest 36: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMolOpsTest 36: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 36: Test timeout computed to be: 7200 36: Randomness seeded to: 3957972118 36: 1 1 2 36: 1 1 1 36: 2 1 0.75 36: ------------------------------- 36: path: 2 36: [07:01:10] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored 36: [07:01:10] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored 36: [07:01:10] Explicit valence for atom # 0 B, 5, is greater than permitted 36: [07:01:10] Explicit valence for atom # 1 C, 5, is greater than permitted 36: [07:01:10] Explicit valence for atom # 1 C, 5, is greater than permitted 36: [07:01:10] Explicit valence for atom # 1 C, 5, is greater than permitted 36: [07:01:10] Explicit valence for atom # 1 Si, 7, is greater than permitted 36: smi: Cc1ccc(S(=O)(=O)\N=C2/CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1 36: [07:01:10] non-ring atom 0 marked aromatic 36: [07:01:10] non-ring atom 0 marked aromatic 36: [07:01:10] non-ring atom 0 marked aromatic 36: [07:01:10] Conflicting single bond directions around double bond at index 17. 36: [07:01:10] BondStereo set to STEREONONE and single bond directions set to NONE. 36: starting ring finding 36: done 36: starting ring finding 36: done 36: starting ring finding 36: done 36: 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 36: starting sanitization 36: done 36: starting sanitization 36: done 36: starting ring finding 36: done 36: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1 36: [07:01:10] WARNING: not removing hydrogen atom with dummy atom neighbors 36: [07:01:10] Explicit valence for atom # 0 N, 4, is greater than permitted 36: [07:01:10] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 36: [07:01:10] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 36: [07:01:10] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 36: [07:01:10] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 36: [07:01:10] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 36: [07:01:10] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 36: [07:01:10] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 36: [07:01:10] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 36: [07:01:10] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 36: [07:01:10] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 36: [07:01:10] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 36: 36: [07:01:10] WARNING: not removing hydrogen atom with dummy atom neighbors 30: ......[07:01:10] Molecule does not have explicit Hs. Consider calling AddHs() 36: [07:01:10] Maximum BFS search size exceeded. 36: This is likely due to a highly symmetric fused ring system. 30: ... 30: ---------------------------------------------------------------------- 30: Ran 12 tests in 0.670s 30: 30: OK 36: [07:01:10] Maximum BFS search size exceeded. 36: This is likely due to a highly symmetric fused ring system. 36: F/C=C/Cl 36: [H]/C(F)=C(/[H])Cl 36: F/C=C/Cl 36: F/C=C/Cl 36: C/C(F)=C(/C)Cl 36: =============================================================================== 36: All tests passed (5666 assertions in 110 test cases) 36: 31/256 Test #36: graphmolMolOpsTest ..................... Passed 0.54 sec test 37 Start 37: graphmoltestChirality 37: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestChirality 37: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 37: Test timeout computed to be: 7200 32/256 Test #30: pyForceFieldConstraints ................ Passed 1.00 sec test 38 Start 38: graphmoltestPickler 38: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPickler 38: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 38: Test timeout computed to be: 7200 38: [07:01:10] ------------------------------------- 38: [07:01:10] Testing String Pickle Roundtrips. 37: -------------------------- 37: -------------------------- 37: C/C=C/C(C)Cl 37: [07:01:10] Conflicting single bond directions around double bond at index 2. 37: [07:01:10] BondStereo set to STEREONONE and single bond directions set to NONE. 37: [07:01:10] Conflicting single bond directions around double bond at index 4. 37: [07:01:10] BondStereo set to STEREONONE and single bond directions set to NONE. 37: [07:01:10] Conflicting single bond directions around double bond at index 15. 37: [07:01:10] BondStereo set to STEREONONE and single bond directions set to NONE. 37: [07:01:10] Conflicting single bond directions around double bond at index 2. 37: [07:01:10] BondStereo set to STEREONONE and single bond directions set to NONE. 37: [07:01:10] Conflicting single bond directions around double bond at index 1. 37: [07:01:10] BondStereo set to STEREONONE and single bond directions set to NONE. 37: -------------------------------------------------- 33/256 Test #37: graphmoltestChirality .................. Passed 0.06 sec test 39 Start 39: graphmoltestPicklerGlobalSetting 39: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting 39: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 39: Test timeout computed to be: 7200 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing reading existing pickle file (v2). 39: [07:01:11] done 34/256 Test #39: graphmoltestPicklerGlobalSetting ....... Passed 0.02 sec test 40 Start 40: graphmolIterTest 40: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolIterTest 40: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 40: Test timeout computed to be: 7200 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing combining molecules using pickles. 38: Atoms: 38: 0 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 38: 1 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 38: 2 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 38: 3 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 38: 4 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 38: 5 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: SP3 38: 6 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 38: Bonds: 38: 0 0->1 order: 1 38: 1 1->2 order: 1 38: 2 2->0 order: 1 38: 3 3->4 order: 1 38: 4 4->5 order: 1 38: 5 5->6 order: 1 38: 6 6->3 order: 1 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing Issue164: Roundtrip Pickle Failure. 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing Issue219: Pickle Failure with Conformations. 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing Issue220: Pickle problems with bond stereochemistry. 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing query serialization. 38: [07:01:11] C=[$(C=O)] 38: [07:01:11] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl] 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing radical handling in pickles. 38: [07:01:11] done 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing sf.net issue 2788233. 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing sf.net issue 3202580. 38: mass! 13.0034 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing sf.net issue 3316407. 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing sf.net issue 3496759. 38: smi match: *C *C 38: smi match: **=* **=* 38: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O 38: smi match: *OS(=O)OC *OS(=O)OC 38: smi match: *S(=O)(=O)OC *S(=O)(=O)OC 38: smi match: O=COC=O O=COC=O 38: smi match: OO OO 38: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F 38: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1 38: smi match: nnnOC=O nnnOC=O 38: smi match: *=C=N *=C=N 38: smi match: OS(=O)(=O)C(F)(F)F OS(=O)(=O)C(F)(F)F 38: smi match: SP(S)=S SP(S)=S 38: smi match: NP(N)(N)=O NP(N)(N)=O 38: smi match: cN=[N+]=[N-] cN=[N+]=[N-] 38: smi match: *CC=O *CC=O 38: smi match: NNC=O NNC=O 38: smi match: * * 38: smi match: C=P C=P 38: smi match: CC(=N)Cl CC(=N)Cl 38: smi match: N=O N=O 38: smi match: ** ** 38: smi match: N=C=N N=C=N 38: smi match: [C-]#[NH+] [C-]#[NH+] 38: smi match: O=CON(C=O)C=O O=CON(C=O)C=O 38: smi match: N#CC[OH] N#CC[OH] 38: smi match: N#CC=O N#CC=O 38: smi match: N#CS(=O)=O N#CS(=O)=O 38: smi match: CCOP(=O)(C#N)OCC CCOP(=O)(C#N)OCC 38: smi match: N#CN=N N#CN=N 38: smi match: N=NCC=O N=NCC=O 38: smi match: CCCCCCC CCCCCCC 38: smi match: OCCOCCO OCCOCCO 38: smi match: SS SS 38: smi match: [SH] [SH] 38: smi match: *1CC1 *1CC1 38: smi match: [OH]ccc([OH])c[OH] [OH]ccc([OH])c[OH] 38: smi match: [OH]cc([OH])c[OH] [OH]cc([OH])c[OH] 38: smi match: NC(=S)N=N NC(=S)N=N 38: smi match: N#CS N#CS 38: smi match: cC[N+] cC[N+] 38: smi match: C*C=S C*C=S 38: smi match: N[CH2]C#N N[CH2]C#N 38: smi match: O=C1CCO1 O=C1CCO1 38: smi match: O=P([OH])OP(=O)[OH] O=P([OH])OP(=O)[OH] 38: smi match: O=C1CCN1 O=C1CCN1 38: smi match: O=C1C~CC(=O)C~C1 O=C1C~CC(=O)C~C1 38: smi match: C=CC=CC=CC=C C=CC=CC=CC=C 38: smi match: C1CCC(OC2CCC3CCCCC3C2)OC1 C1CCC(OC2CCC3CCCCC3C2)OC1 38: smi match: O=C1NCC2CCCCC21 O=C1NCC2CCCCC21 38: smi match: O=C1CCCC(=O)N1 O=C1CCCC(=O)N1 38: smi match: C1CCC(C2CCCO2)OC1 C1CCC(C2CCCO2)OC1 38: smi match: [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 38: smi match: C1CC2CCC(O1)O2 C1CC2CCC(O1)O2 38: smi match: cN(=O)~O cN(=O)~O 38: smi match: *[CH2]N1C(=O)CCC1=O *[CH2]N1C(=O)CCC1=O 38: smi match: N~NC=O N~NC=O 38: smi match: *=N~C *=N~C 38: smi match: CO*(=O)=O CO*(=O)=O 38: smi match: * * 38: smi match: * * 38: smi match: *C=C *C=C 38: smi match: N#CS N#CS 38: smi match: *C=S *C=S 38: smi match: *N *N 38: smi match: *C(=C)C=O *C(=C)C=O 38: smi match: *C#C *C#C 38: smi match: N#CCO N#CCO 38: smi match: O=N(=O)CCO O=N(=O)CCO 38: smi match: N=CS N=CS 38: smi match: O=CNC(O)C=O O=CNC(O)C=O 38: smi match: C=C(C=O)C=O C=C(C=O)C=O 38: smi match: N=CC=O N=CC=O 38: smi match: *C(C=O)C=O *C(C=O)C=O 38: smi match: *C(C=O)=C(*)C=O *C(C=O)=C(*)C=O 38: smi match: O=CC=CC=O O=CC=CC=O 38: smi match: O=CN(O)C=O O=CN(O)C=O 38: smi match: O=CN(S)C=O O=CN(S)C=O 38: smi match: O=CNC=O O=CNC=O 38: smi match: O=CNN=O O=CNN=O 38: smi match: O=CNNC=O O=CNNC=O 38: smi match: O=CNOC=O O=CNOC=O 38: smi match: O=CS O=CS 38: smi match: O=CSC=S O=CSC=S 38: smi match: S=CS S=CS 38: smi match: C=O C=O 38: smi match: *C=N *C=N 38: smi match: CCCCCCC CCCCCCC 38: smi match: CN=O CN=O 38: smi match: CS(=O)(=O)O CS(=O)(=O)O 38: smi match: O=C1CCO1 O=C1CCO1 38: smi match: C=C(S)[SH]=O C=C(S)[SH]=O 38: smi match: C=CCO C=CCO 38: smi match: C=CC=N C=CC=N 38: smi match: C=CC=O C=CC=O 38: smi match: C=CC(=O)C=C C=CC(=O)C=C 38: smi match: C=CC=S C=CC=S 38: smi match: C=CC(=S)S C=CC(=S)S 38: smi match: *C=C(*)C=C *C=C(*)C=C 38: smi match: C=CC=N C=CC=N 38: smi match: *N(*)C=C *N(*)C=C 38: smi match: C=CN(=O)=O C=CN(=O)=O 38: smi match: C=CN(O)=O C=CN(O)=O 38: smi match: C=CO C=CO 38: smi match: C=COC=O C=COC=O 38: smi match: C=CS C=CS 38: smi match: C=C[SH](=O)=O C=C[SH](=O)=O 38: smi match: C=NCO C=NCO 38: smi match: C=NC=O C=NC=O 38: smi match: C=NN C=NN 38: smi match: C=NN=C C=NN=C 38: smi match: C=NO C=NO 38: smi match: C=NOC=O C=NOC=O 38: smi match: C=N=O C=N=O 38: smi match: N#CS N#CS 38: smi match: *CN=O *CN=O 38: smi match: NCN NCN 38: smi match: ON=CCN=O ON=CCN=O 38: smi match: NC(S)=N[SH](=O)=O NC(S)=N[SH](=O)=O 38: smi match: N=C(N)S N=C(N)S 38: smi match: NC(=O)Oc1ccccc1 NC(=O)Oc1ccccc1 38: smi match: NC=S NC=S 38: smi match: NC(N)=S NC(N)=S 38: smi match: C=CN C=CN 38: smi match: NOC=O NOC=O 38: smi match: C1CN1 C1CN1 38: smi match: O=C1NNNN1 O=C1NNNN1 38: smi match: N=C(N)C(=N)N N=C(N)C(=N)N 38: smi match: N=C(N)O N=C(N)O 38: smi match: N=C(N)C(=N)S N=C(N)C(=N)S 38: smi match: *C=N *C=N 38: smi match: N=CC=O N=CC=O 38: smi match: N=CS N=CS 38: smi match: N=C=N N=C=N 38: smi match: N=C=O N=C=O 38: smi match: N=C=S N=C=S 38: smi match: NOC(=O)O NOC(=O)O 38: smi match: *C(O)=S *C(O)=S 38: smi match: C=CO C=CO 38: smi match: ON=CC=NO ON=CC=NO 38: smi match: *C[SH](=O)=O *C[SH](=O)=O 38: smi match: OS(=O)=O OS(=O)=O 38: smi match: N#CS N#CS 38: smi match: C=C(S)S C=C(S)S 38: smi match: N=C(N)S N=C(N)S 38: smi match: N=C(S)S N=C(S)S 38: smi match: NC(=S)S NC(=S)S 38: smi match: O=CNS O=CNS 38: smi match: S S 38: smi match: [SiH4] [SiH4] 38: smi match: NS NS 38: smi match: NCN NCN 38: smi match: cC(c)(O)O cC(c)(O)O 38: smi match: *C(c)O *C(c)O 38: smi match: C=CS(c)(=O)=O C=CS(c)(=O)=O 38: smi match: cS(=O)(=O)O cS(=O)(=O)O 38: smi match: *c1ccccn1=O *c1ccccn1=O 38: smi match: *c1ccccn1 *c1ccccn1 38: smi match: *c1nccccn1 *c1nccccn1 38: smi match: C1COCOC1 C1COCOC1 38: smi match: C=S C=S 38: smi match: c=S c=S 38: smi match: S=CS S=CS 38: smi match: C=CN(=O)=O C=CN(=O)=O 38: smi match: C=CN(=O)O C=CN(=O)O 38: smi match: N=CC=O N=CC=O 38: smi match: C=CS C=CS 38: smi match: SC(S)(S)S SC(S)(S)S 38: smi match: OS(O)(O)O OS(O)(O)O 38: smi match: O=N(=O)C[SH](=O)=O O=N(=O)C[SH](=O)=O 38: smi match: O=N(O)C[SH](=O)=O O=N(O)C[SH](=O)=O 38: smi match: N#CS N#CS 38: smi match: C=NO C=NO 38: smi match: C=N[SH]=N C=N[SH]=N 38: smi match: O=C(S)S O=C(S)S 38: smi match: N=C(S)S N=C(S)S 38: smi match: N=C(=N)S N=C(=N)S 38: smi match: O=N=O O=N=O 38: smi match: O=NO O=NO 38: smi match: ONO ONO 38: smi match: C1SCS1 C1SCS1 38: smi match: N=C=S N=C=S 38: smi match: N=C=N N=C=N 38: smi match: C1N=N1 C1N=N1 38: smi match: *CS *CS 38: smi match: SC(S)=C(S)S SC(S)=C(S)S 38: smi match: N=CC=NO N=CC=NO 38: smi match: N#CCC#N N#CCC#N 38: smi match: CON=O CON=O 38: smi match: C=CN C=CN 38: smi match: C=N[SH](=O)=O C=N[SH](=O)=O 38: smi match: NN=O NN=O 38: smi match: NC(=O)S NC(=O)S 38: smi match: N#CS N#CS 38: smi match: NC(=O)C(N)=O NC(=O)C(N)=O 38: smi match: c=N c=N 38: smi match: C1COCO1 C1COCO1 38: smi match: C=NN[SH](=O)=O C=NN[SH](=O)=O 38: smi match: O=CC=O O=CC=O 38: smi match: O=CNOC=O O=CNOC=O 38: smi match: O=C1C=CC(=O)C=C1 O=C1C=CC(=O)C=C1 38: smi match: ONO ONO 38: smi match: ON(~O)~O ON(~O)~O 38: smi match: OC1COC(O)C1 OC1COC(O)C1 38: smi match: OC1CCOC1O OC1CCOC1O 35/256 Test #40: graphmolIterTest ....................... Passed 0.03 sec 38: smi match: OC1CCOC(O)C1 OC1CCOC(O)C1 38: smi match: N=[N+]=N N=[N+]=N 38: smi match: N#CN N#CN test 41 Start 41: hanoiTest 41: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/hanoiTest 41: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 41: Test timeout computed to be: 7200 38: smi match: C=NN=C C=NN=C 38: smi match: *CCN(C)C *CCN(C)C 38: smi match: CNN CNN 38: smi match: *CC *CC 38: smi match: OCS OCS 38: smi match: C1NO1 C1NO1 38: smi match: COS(C)(=O)=O COS(C)(=O)=O 38: smi match: C1CO1 C1CO1 38: smi match: *c1-c-c-ccN1 *c1-c-c-ccN1 38: smi match: *C(*)=C *C(*)=C 38: smi match: N#[NH+] N#[NH+] 38: smi match: C#NO C#NO 38: smi match: OOO OOO 38: smi match: OO OO 38: smi match: O~Cl(~O)~O O~Cl(~O)~O 38: smi match: O~Cl(~O)(~O)~O O~Cl(~O)(~O)~O 38: smi match: [OH]~C(~O)~O [OH]~C(~O)~O 38: smi match: *N *N 38: smi match: *P *P 38: smi match: *S *S 38: smi match: *C(*)(*)C=C *C(*)(*)C=C 38: smi match: *C(*)(*)C=C *C(*)(*)C=C 38: smi match: *C(*)C=C *C(*)C=C 38: smi match: *CC=C *CC=C 38: smi match: CN=C=O CN=C=O 38: smi match: CN=C=S CN=C=S 38: smi match: *C=O *C=O 38: smi match: N=N N=N 38: smi match: SS SS 38: smi match: O=C1CCNC(=O)O1 O=C1CCNC(=O)O1 38: smi match: CSC(C)=N CSC(C)=N 38: smi match: COC(C)=N COC(C)=N 38: smi match: C=C=C C=C=C 38: smi match: *C(=O)OC=O *C(=O)OC=O 38: smi match: C=CC#N C=CC#N 38: smi match: C=CC=O C=CC=O 38: smi match: CC=CC(C)=O CC=CC(C)=O 38: smi match: CC=CC(=O)OCC CC=CC(=O)OCC 38: smi match: C#CC#N C#CC#N 38: smi match: C#CC=O C#CC=O 38: smi match: C#CC(=O)OCC C#CC(=O)OCC 38: smi match: C#CC=O C#CC=O 38: smi match: *C(=O)C#C *C(=O)C#C 38: smi match: C=CC=O C=CC=O 38: smi match: *C(*)(*)O *C(*)(*)O 38: smi match: COS(O)(=O)=O COS(O)(=O)=O 38: smi match: CS(=O)(=O)[O-] CS(=O)(=O)[O-] 38: smi match: NS(=O)(=O)[O-] NS(=O)(=O)[O-] 38: smi match: *C(*)(*)C=O *C(*)(*)C=O 38: smi match: *C(*)(*)C=O *C(*)(*)C=O 38: smi match: *C(*)C=O *C(*)C=O 38: smi match: *CC=O *CC=O 38: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O 38: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O 38: smi match: *C(*)[SH](=O)=O *C(*)[SH](=O)=O 38: smi match: *C[SH](=O)=O *C[SH](=O)=O 38: smi match: * * 38: smi match: *1CC1 *1CC1 38: smi match: O=COC=O O=COC=O 38: smi match: N=C=O N=C=O 38: smi match: N=C=S N=C=S 38: smi match: O~O O~O 38: smi match: N~[SiH4] N~[SiH4] 38: smi match: *P *P 38: smi match: C=N=N C=N=N 38: smi match: *N#[NH+] *N#[NH+] 38: smi match: *S* *S* 38: smi match: ** ** 38: smi match: *CC* *CC* 38: smi match: *O[SiH3] *O[SiH3] 38: smi match: *OS(*)~O *OS(*)~O 38: smi match: N~N~O N~N~O 38: smi match: *N(~O)(~O)~O *N(~O)(~O)~O 38: smi match: *[N+](=C)[O-] *[N+](=C)[O-] 38: smi match: * * 38: smi match: *C(*)NCN(*)* *C(*)NCN(*)* 38: smi match: *OCC#N *OCC#N 38: smi match: **C=C **C=C 38: smi match: C=C[O-] C=C[O-] 38: smi match: C=CO C=CO 38: smi match: * * 38: smi match: O=CON1C(=O)CCC1=O O=CON1C(=O)CCC1=O 38: smi match: O=COn1ccnc1 O=COn1ccnc1 38: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F 38: smi match: CC(C)(C)S CC(C)(C)S 38: 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 38: smi match: [CH]=O [CH]=O 38: smi match: C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C 38: smi match: SS SS 38: smi match: [SH] [SH] 38: smi match: *C* *C* 38: smi match: * * 38: smi match: C[nH3+] C[nH3+] 38: smi match: cC(=N)[NH2] cC(=N)[NH2] 38: smi match: O=CN[OH] O=CN[OH] 38: smi match: NN NN 38: smi match: * * 38: smi match: *OP(=O)O* *OP(=O)O* 38: smi match: * * 38: smi match: * * 38: smi match: * * 38: smi match: *N=C(*)* *N=C(*)* 38: smi match: *C(*)(*)C=O *C(*)(*)C=O 38: smi match: CSC=O CSC=O 38: smi match: * * 41: [07:01:11] Testing the hanoi sort 41: [07:01:11] populating vectors 38: smi match: O=CCl O=CCl 38: smi match: *** *** 38: smi match: *C=O *C=O 38: smi match: C[OH] C[OH] 38: smi match: C[OH] C[OH] 38: smi match: C[OH] C[OH] 38: smi match: C[OH] C[OH] 38: smi match: C[CH]=O C[CH]=O 38: smi match: *=* *=* 38: smi match: *C *C 38: smi match: C#C C#C 38: smi match: *[CH]C=C *[CH]C=C 38: smi match: cCC(=O)[OH] cCC(=O)[OH] 38: smi match: *C(*)(*)C(=O)[OH] *C(*)(*)C(=O)[OH] 38: smi match: CC(=O)C(=O)[OH] CC(=O)C(=O)[OH] 38: smi match: C=CC(=O)[OH] C=CC(=O)[OH] 38: smi match: N#CC(=O)[OH] N#CC(=O)[OH] 38: smi match: O=C([OH])CN(~O)~O O=C([OH])CN(~O)~O 38: smi match: *N(*)C*=O *N(*)C*=O 38: smi match: O=*C[OH] O=*C[OH] 38: smi match: *=C*=O *=C*=O 38: smi match: *=CC#N *=CC#N 38: smi match: *C[OH] *C[OH] 38: smi match: ** ** 38: smi match: *C[OH] *C[OH] 38: smi match: *C(*)=O *C(*)=O 29: Checking against /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 38: smi match: * * 38: smi match: *CC(=O)[OH] *CC(=O)[OH] 38: smi match: CC(=O)OC(C)=O CC(=O)OC(C)=O 38: smi match: *c *c 38: smi match: CN(C)c CN(C)c 38: smi match: c c 38: smi match: *c *c 38: smi match: *c *c 38: smi match: **:*cF **:*cF 38: smi match: cB([OH])[OH] cB([OH])[OH] 38: smi match: N~N~N N~N~N 38: smi match: *N=N* *N=N* 38: smi match: *CC[OH] *CC[OH] 38: smi match: *CC[OH] *CC[OH] 38: smi match: *=CCC(=O)[OH] *=CCC(=O)[OH] 38: smi match: O=C([OH])CC[OH] O=C([OH])CC[OH] 38: smi match: *CCC(=O)[OH] *CCC(=O)[OH] 38: smi match: CC(=O)CC(=O)[OH] CC(=O)CC(=O)[OH] 38: smi match: *OC(=O)CC(C)=O *OC(=O)CC(C)=O 38: smi match: *OC(*)=O *OC(*)=O 38: smi match: *C(=O)[OH] *C(=O)[OH] 38: smi match: O=C[OH] O=C[OH] 38: smi match: *OC(=O)O* *OC(=O)O* 38: smi match: * * 38: smi match: *OC(=O)Cl *OC(=O)Cl 38: smi match: *C#N *C#N 38: smi match: NCC(=O)NCC=O NCC(=O)NCC=O 38: smi match: SS SS 38: smi match: * * 38: smi match: *=* *=* 38: smi match: *=* *=* 38: smi match: *=* *=* 38: smi match: *=* *=* 38: smi match: C1CO1 C1CO1 38: smi match: *OC(*)=O *OC(*)=O 38: smi match: * * 38: smi match: *O*[OH] *O*[OH] 38: smi match: COC(C)(C)O COC(C)(C)O 38: smi match: *[OH] *[OH] 38: smi match: ** ** 38: smi match: C=N[NH2] C=N[NH2] 38: smi match: C=NC=O C=NC=O 38: smi match: * * 38: smi match: C#NC C#NC 38: smi match: CN=C=O CN=C=O 38: smi match: CN=C=S CN=C=S 38: smi match: *OC(*)(*)O* *OC(*)(*)O* 38: smi match: *C(*)=O *C(*)=O 38: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C 38: smi match: *~*=O *~*=O 38: smi match: *~*=O *~*=O 38: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH] 38: smi match: * * 38: smi match: *C#N *C#N 38: smi match: *N(=O)~O *N(=O)~O 38: smi match: N N 38: smi match: OC(=O)C(O)=O OC(=O)C(O)=O 38: smi match: C=NO C=NO 38: smi match: O~O O~O 38: smi match: c[OH] c[OH] 38: smi match: O=P(~[OH])~O O=P(~[OH])~O 38: smi match: CO~P(=O)~O CO~P(=O)~O 38: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O 38: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O 38: smi match: O=P(~O)~O O=P(~O)~O 38: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O 38: smi match: C[NH2] C[NH2] 38: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1 38: smi match: * * 38: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 38: smi match: CS(C)~O CS(C)~O 38: smi match: CS(C)(~O)~O CS(C)(~O)~O 38: smi match: CS(N)(~O)~O CS(N)(~O)~O 38: smi match: CS([OH])(~O)~O CS([OH])(~O)~O 38: smi match: COS(C)(~O)~O COS(C)(~O)~O 38: smi match: *S(C)(~O)~O *S(C)(~O)~O 38: smi match: CN(C)C CN(C)C 38: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1 38: smi match: *C(*)=S *C(*)=S 38: smi match: *OC(*)=S *OC(*)=S 38: smi match: * * 38: smi match: C[SH] C[SH] 38: smi match: c[SH] c[SH] 38: smi match: NC(N)=S NC(N)=S 38: smi match: * * 38: smi match: ***** ***** 38: smi match: NC(N)=O NC(N)=O 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing sf.net issue 280. 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing sf.net issue 285. 38: [07:01:11] done 38: [07:01:11] done with testAtomResidues 38: [07:01:11] done 38: [07:01:11] done 38: [07:01:11] done 38: [07:01:11] done 38: [07:01:11] done 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing Github2441: Add RDProps interface to Conformers. 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing Issue2510: Pickle Confs as double. 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing Github #2465: Negative atom-map numbers cause depickling to fail. 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing loading pickled mols with conformers 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing conformer reading/writing options 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing property reading options 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing property reading options 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing boost::serialization integration 38: [07:01:11] done 38: [07:01:11] ------------------------------------- 38: [07:01:11] Testing github issue 6036 36/256 Test #38: graphmoltestPickler .................... Passed 0.17 sec test 42 Start 42: graphmolMemTest1 42: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMemTest1 42: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 42: Test timeout computed to be: 7200 37/256 Test #42: graphmolMemTest1 ....................... Passed 0.01 sec test 43 Start 43: resMolSupplierTest 43: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/resMolSupplierTest 43: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 43: Test timeout computed to be: 7200 29: All 191 tests passed 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf... 41: [07:01:11] sorting (hanoi sort) vectors 12: .................. 12: ---------------------------------------------------------------------- 12: Ran 18 tests in 1.513s 12: 12: OK 38/256 Test #12: pyBV ................................... Passed 1.77 sec test 44 Start 44: molBundleTest 44: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/molBundleTest 44: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 44: Test timeout computed to be: 7200 39/256 Test #44: molBundleTest .......................... Passed 0.03 sec test 45 Start 45: testSGroup 45: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/testSGroup 45: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 45: Test timeout computed to be: 7200 40/256 Test #45: testSGroup ............................. Passed 0.03 sec test 46 Start 46: test-valgrind 46: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/test-valgrind 46: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 46: Test timeout computed to be: 7200 41/256 Test #46: test-valgrind .......................... Passed 0.02 sec test 47 Start 47: graphmolTestsCatch 47: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 47: Test timeout computed to be: 7200 47: Randomness seeded to: 2212811465 47: [07:01:11] WARNING: not removing hydrogen atom without neighbors 47: [07:01:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 47: [07:01:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 47: [07:01:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 47: [07:01:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 47: [07:01:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 47: [07:01:11] Explicit valence for atom # 1 N, 5, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 N, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 N, 5, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 N, 5, is greater than permitted 47: [07:01:11] Explicit valence for atom # 2 O, 3, is greater than permitted 47: [07:01:11] Explicit valence for atom # 2 O, 3, is greater than permitted 47: [07:01:11] non-ring atom 2 marked aromatic 47: [07:01:11] non-ring atom 2 marked aromatic 47: [07:01:11] non-ring atom 2 marked aromatic 47: [07:01:11] non-ring atom 2 marked aromatic 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 1 2 3 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 1 2 3 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 1 2 3 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 1 2 3 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 47: [07:01:11] Explicit valence for atom # 1 O, 3, is greater than permitted 47: [07:01:11] Explicit valence for atom # 4 F, 2, is greater than permitted 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 6 7 8 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 6 7 8 47: [07:01:11] Explicit valence for atom # 1 C, 5, is greater than permitted 47: [07:01:11] WARNING: not removing hydrogen atom with dummy atom neighbors 47: [07:01:11] WARNING: not removing hydrogen atom with dummy atom neighbors 47: [07:01:11] WARNING: not removing hydrogen atom with wedged bond 47: [07:01:11] WARNING: not removing hydrogen atom without neighbors 47: [07:01:11] WARNING: not removing hydrogen atom without neighbors 47: [07:01:11] WARNING: not removing hydrogen atom without neighbors 47: [07:01:11] WARNING: not removing hydrogen atom without neighbors 47: [07:01:11] Unreasonable formal charge on atom # 0. 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: no atom 47: Violation occurred on line 174 in file ./Code/GraphMol/ROMol.cpp 47: Failed Expression: at 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x00000000000B9C02 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: no owner 47: Violation occurred on line 157 in file ./Code/GraphMol/Atom.h 47: Failed Expression: dp_mol 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# 0x00000000000D11E2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 4# 0x00000000000B9C8C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 13# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: atom not associated with this molecule 47: Violation occurred on line 175 in file ./Code/GraphMol/ROMol.cpp 47: Failed Expression: &at->getOwningMol() == this 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x00000000000B9D1F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: no atom 47: Violation occurred on line 357 in file ./Code/GraphMol/ROMol.cpp 47: Failed Expression: at 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x00000000000B9E0A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: no owner 47: Violation occurred on line 157 in file ./Code/GraphMol/Atom.h 47: Failed Expression: dp_mol 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# 0x00000000000D11E2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 4# 0x00000000000B9E9B in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 13# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: atom not associated with this molecule 47: Violation occurred on line 358 in file ./Code/GraphMol/ROMol.cpp 47: Failed Expression: &at->getOwningMol() == this 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x00000000000B9F37 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: no atom 47: Violation occurred on line 364 in file ./Code/GraphMol/ROMol.cpp 47: Failed Expression: at 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x00000000000BA6F9 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: no owner 47: Violation occurred on line 157 in file ./Code/GraphMol/Atom.h 47: Failed Expression: dp_mol 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# 0x00000000000D11E2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 4# 0x00000000000BA0A2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 13# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: atom not associated with this molecule 47: Violation occurred on line 365 in file ./Code/GraphMol/ROMol.cpp 47: Failed Expression: &at->getOwningMol() == this 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x00000000000BA13C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: null atom passed in 47: Violation occurred on line 379 in file ./Code/GraphMol/ROMol.cpp 47: Failed Expression: atom_pin 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x00000000000BA6D1 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: cannot take ownership of an atom which already has an owner 47: Violation occurred on line 380 in file ./Code/GraphMol/ROMol.cpp 47: Failed Expression: !takeOwnership || !atom_pin->hasOwningMol() || &atom_pin->getOwningMol() == this 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x00000000000BA2FE in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: cannot take ownership of an bond which already has an owner 47: Violation occurred on line 405 in file ./Code/GraphMol/ROMol.cpp 47: Failed Expression: !takeOwnership || !bond_pin->hasOwningMol() || &bond_pin->getOwningMol() == this 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x00000000000BA6AD in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 47: [07:01:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 47: [07:01:11] WARNING: not removing hydrogen atom without neighbors 47: [07:01:11] Explicit valence for atom # 1 F greater than permitted 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: plain atoms have no Query 47: Violation occurred on line 695 in file ./Code/GraphMol/Atom.cpp 47: Failed Expression: 0 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::Atom::setQuery(Queries::Query*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x0000000000066330 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: plain atoms have no Query 47: Violation occurred on line 700 in file ./Code/GraphMol/Atom.cpp 47: Failed Expression: 0 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::Atom::expandQuery(Queries::Query*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x00000000000663D1 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: plain bonds have no Query 47: Violation occurred on line 210 in file ./Code/GraphMol/Bond.cpp 47: Failed Expression: 0 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::Bond::setQuery(Queries::Query*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x0000000000066055 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] 47: 47: **** 47: Pre-condition Violation 47: plain bonds have no query 47: Violation occurred on line 231 in file ./Code/GraphMol/Bond.cpp 47: Failed Expression: 0 47: ---------- 47: Stacktrace: 47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 47: 2# RDKit::Bond::expandQuery(Queries::Query*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 47: 3# 0x00000000000660F6 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 4# 0x000000000010710C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 5# 0x0000000000108702 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 6# 0x0000000000108B6A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 7# 0x00000000000DB191 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 8# 0x00000000000DB48C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 9# 0x000000000005390E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: 10# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 11# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 47: 12# 0x0000000000053951 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch 47: ---------- 47: **** 47: 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 47: [07:01:11] Unusual charge on atom 0 number of radical electrons set to zero 47: [07:01:11] Unusual charge on atom 0 number of radical electrons set to zero 47: [07:01:11] Unusual charge on atom 0 number of radical electrons set to zero 47: [07:01:11] non-ring atom 0 marked aromatic 47: [07:01:11] non-ring atom 0 marked aromatic 47: [07:01:11] non-ring atom 0 marked aromatic 47: [07:01:11] non-ring atom 0 marked aromatic 47: [07:01:11] Explicit valence for atom # 1 C, 5, is greater than permitted 47: [07:01:11] Explicit valence for atom # 9 C, 5, is greater than permitted 47: [07:01:11] Explicit valence for atom # 3 N, 4, is greater than permitted 47: [07:01:11] Explicit valence for atom # 15 C, 5, is greater than permitted 47: [07:01:11] Explicit valence for atom # 11 C, 5, is greater than permitted 47: [07:01:11] Explicit valence for atom # 9 C, 5, is greater than permitted 47: [07:01:11] Explicit valence for atom # 9 C, 5, is greater than permitted 47: [07:01:11] Explicit valence for atom # 9 C, 6, is greater than permitted 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 7 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 7 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 3 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 3 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 3 7 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 3 7 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 3 7 47: [07:01:11] Can't kekulize mol. Unkekulized atoms: 3 7 47: [07:01:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 47: [07:01:11] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 47: [07:01:11] Explicit valence for atom # 1 O, 3, is greater than permitted 47: [07:01:11] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 47: [07:01:11] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 47: [07:01:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 47: [07:01:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 47: [07:01:11] Invalid value for molAttachPoint: 4 on atom 1. Not expanding this atttachment point. 47: [07:01:11] Invalid value for _fromAttachPoint: -1 on atom 0. Not collapsing this atom 47: [07:01:11] Invalid value for _fromAttachPoint: 4 on atom 0. Not collapsing this atom 47: [07:01:11] non-ring atom 0 marked aromatic 47: [07:01:11] non-ring atom 0 marked aromatic 47: [07:01:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 47: [07:01:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 47: [07:01:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 47: [07:01:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 47: [07:01:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 47: [07:01:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 47: [07:01:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 47: [07:01:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 47: [07:01:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 47: [07:01:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 47: [07:01:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 47: [07:01:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 47: [07:01:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 47: [07:01:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 47: [07:01:11] Explicit valence for atom # 0 Al, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 0 Al, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 Si, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 Si, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 0 P, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 0 P, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 0 P, 7, is greater than permitted 47: [07:01:11] Explicit valence for atom # 0 P, 7, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 As, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 As, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 As, 7, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 As, 7, is greater than permitted 47: [07:01:11] Explicit valence for atom # 0 Sb, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 0 Sb, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 0 Sb, 7, is greater than permitted 47: [07:01:11] Explicit valence for atom # 0 Sb, 7, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 Bi, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 Bi, 6, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 Bi, 8, is greater than permitted 47: [07:01:11] Explicit valence for atom # 1 Bi, 8, is greater than permitted 47: [07:01:11] 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 47: [07:01:11] 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 47: [07:01:11] 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 47: [07:01:11] 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 47: [07:01:11] 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 47: [07:01:11] 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 47: [07:01:11] 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 47: [07:01:11] 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 47: [07:01:11] 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 47: =============================================================================== 47: All tests passed (4612 assertions in 116 test cases) 47: 42/256 Test #47: graphmolTestsCatch ..................... Passed 0.41 sec test 48 Start 48: graphmolOrganometallicsCatch 48: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch 48: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 48: Test timeout computed to be: 7200 48: Randomness seeded to: 3791027120 48: =============================================================================== 48: All tests passed (62 assertions in 6 test cases) 48: 43/256 Test #48: graphmolOrganometallicsCatch ........... Passed 0.05 sec test 49 Start 49: graphmolSGroupCatch 49: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolSGroupCatch 49: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 49: Test timeout computed to be: 7200 49: Randomness seeded to: 4187344237 49: =============================================================================== 49: All tests passed (136 assertions in 8 test cases) 49: 44/256 Test #49: graphmolSGroupCatch .................... Passed 0.03 sec test 50 Start 50: graphmolAdjustQueryCatch 50: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch 50: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 50: Test timeout computed to be: 7200 50: Randomness seeded to: 3835018535 50: =============================================================================== 50: All tests passed (332 assertions in 12 test cases) 50: 45/256 Test #50: graphmolAdjustQueryCatch ............... Passed 0.05 sec test 51 Start 51: chiralityTestsCatch 51: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/chiralityTestsCatch 51: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 51: Test timeout computed to be: 7200 51: Randomness seeded to: 18779877 51: [07:01:12] unable to set wavy bonds for double bonds: 3 51: [07:01:12] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 51: [07:01:12] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 51: [07:01:12] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored. 51: [07:01:12] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored. 51: [07:01:12] Warning: ambiguous stereochemistry - overlapping neighbors - at atom 2 ignored 51: =============================================================================== 51: All tests passed (2454 assertions in 87 test cases) 51: 46/256 Test #51: chiralityTestsCatch .................... Passed 0.15 sec test 52 Start 52: canonTestsCatch 52: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/canonTestsCatch 52: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 52: Test timeout computed to be: 7200 29: Checking against /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 29: All 191 tests passed 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/test_data/MMFF94_dative.smi... 41: [07:01:12] done: 500000 41: [07:01:12] Done 41: [07:01:12] Testing hanoi with a functor. 41: [07:01:12] Done 41: [07:01:12] Testing basic partition refinement. 41: [07:01:12] Done 41: [07:01:12] Testing partition refinement with neighbors. 41: [07:01:13] Done 41: [07:01:13] testing canonicalization via tie breaking. 41: [07:01:13] Done 41: [07:01:13] testing canonicalization using the wrapper. 41: [07:01:13] Done 41: [07:01:13] testing some specific ordering problems 41: [07:01:13] Finished 41: [07:01:13] testing chiral invariants. 41: [07:01:13] Finished 41: [07:01:13] testing unique ranks in w.r.t. renumbering. 41: [07:01:13] Finished 41: [07:01:13] testing mol fragments. 41: [07:01:13] Finished 41: [07:01:13] testing protein round-tripping. 41: [07:01:13] Finished 41: [07:01:13] testing stability w.r.t. renumbering. 47/256 Test #43: resMolSupplierTest ..................... Passed 2.61 sec test 53 Start 53: moliteratorTestsCatch 53: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/moliteratorTestsCatch 53: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 53: Test timeout computed to be: 7200 53: Randomness seeded to: 1683449701 53: =============================================================================== 53: All tests passed (37 assertions in 9 test cases) 53: 48/256 Test #53: moliteratorTestsCatch .................. Passed 0.03 sec test 54 Start 54: molrangesTestsCatch 54: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/molrangesTestsCatch 54: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 54: Test timeout computed to be: 7200 54: Randomness seeded to: 1320472161 54: =============================================================================== 54: All tests passed (20 assertions in 2 test cases) 54: 49/256 Test #54: molrangesTestsCatch .................... Passed 0.01 sec test 55 Start 55: queryTestsCatch 55: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/queryTestsCatch 55: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 55: Test timeout computed to be: 7200 55: Randomness seeded to: 2058980351 55: =============================================================================== 55: All tests passed (46 assertions in 2 test cases) 55: 50/256 Test #55: queryTestsCatch ........................ Passed 0.02 sec test 56 Start 56: molbundleTestsCatch 56: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/molbundleTestsCatch 56: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 56: Test timeout computed to be: 7200 56: Randomness seeded to: 2252369802 56: =============================================================================== 56: All tests passed (6 assertions in 1 test case) 56: 51/256 Test #56: molbundleTestsCatch .................... Passed 0.02 sec test 57 Start 57: pickleTestsCatch 57: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/pickleTestsCatch 57: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 57: Test timeout computed to be: 7200 57: Randomness seeded to: 3340982206 57: =============================================================================== 57: All tests passed (45 assertions in 4 test cases) 57: 52/256 Test #57: pickleTestsCatch ....................... Passed 0.04 sec test 58 Start 58: tableTestsCatch 58: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/tableTestsCatch 58: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 58: Test timeout computed to be: 7200 58: Randomness seeded to: 2649633460 58: =============================================================================== 58: All tests passed (7 assertions in 2 test cases) 58: 53/256 Test #58: tableTestsCatch ........................ Passed 0.02 sec test 59 Start 59: molopsTestsCatch 59: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/molopsTestsCatch 59: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol 59: Test timeout computed to be: 7200 59: Randomness seeded to: 3577078887 59: =============================================================================== 59: All tests passed (547 assertions in 15 test cases) 59: 54/256 Test #59: molopsTestsCatch ....................... Passed 0.05 sec test 60 Start 60: smiTest1 60: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1 60: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse 60: Test timeout computed to be: 7200 60: Randomness seeded to: 1566779759 60: [07:01:13] WARNING: not removing hydrogen atom without neighbors 60: [07:01:13] WARNING: not removing hydrogen atom without neighbors 60: [07:01:13] WARNING: not removing hydrogen atom without neighbors 60: [07:01:13] WARNING: not removing hydrogen atom without neighbors 60: [07:01:13] WARNING: not removing hydrogen atom without neighbors 60: [07:01:13] WARNING: not removing hydrogen atom without neighbors 60: [07:01:13] WARNING: not removing hydrogen atom without neighbors 60: [07:01:13] WARNING: not removing hydrogen atom without neighbors 60: [07:01:13] WARNING: not removing hydrogen atom without neighbors 60: [07:01:13] WARNING: not removing hydrogen atom without neighbors 60: [07:01:13] WARNING: not removing hydrogen atom without neighbors 60: [07:01:13] Invalid chiral specification on atom 0 60: [07:01:13] Invalid chiral specification on atom 0 60: [07:01:13] Invalid chiral specification on atom 0 60: [07:01:13] Invalid chiral specification on atom 0 60: [07:01:13] Invalid chiral specification on atom 0 60: [07:01:14] SMILES Parse Error: unclosed ring for input: 'C1.C11.C' 60: [07:01:14] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC' 60: [07:01:14] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 60: [07:01:14] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 60: [07:01:14] SMILES Parse Error: syntax error while parsing: c%()ccccc%() 60: [07:01:14] SMILES Parse Error: check for mistakes around position 4: 60: [07:01:14] c%()ccccc%() 60: [07:01:14] ~~~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000) 60: [07:01:14] SMILES Parse Error: check for mistakes around position 9: 60: [07:01:14] c%(100000)ccccc%(100000) 60: [07:01:14] ~~~~~~~~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)' 60: [07:01:14] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111' 60: [07:01:14] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 60: [07:01:14] SMILES Parse Error: check for mistakes around position 14: 60: [07:01:14] COc(c1)cccc1C# 60: [07:01:14] ~~~~~~~~~~~~~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 14: 60: [07:01:14] COc(c1)cccc1C# 60: [07:01:14] ~~~~~~~~~~~~~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 60: [07:01:14] SMILES Parse Error: check for mistakes around position 14: 60: [07:01:14] COc(c1)cccc1C# 60: [07:01:14] ~~~~~~~~~~~~~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 14: 60: [07:01:14] COc(c1)cccc1C# 60: [07:01:14] ~~~~~~~~~~~~~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 60: [07:01:14] SMILES Parse Error: check for mistakes around position 14: 60: [07:01:14] COc(c1)cccc1C# 60: [07:01:14] ~~~~~~~~~~~~~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 14: 60: [07:01:14] COc(c1)cccc1C# 60: [07:01:14] ~~~~~~~~~~~~~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 60: [07:01:14] SMILES Parse Error: extra close parentheses while parsing: C) 60: [07:01:14] SMILES Parse Error: check for mistakes around position 2: 60: [07:01:14] C) 60: [07:01:14] ~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: CC=(CO)C 60: [07:01:14] SMILES Parse Error: check for mistakes around position 4: 60: [07:01:14] CC=(CO)C 60: [07:01:14] ~~~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'CC=(CO)C' for input: 'CC=(CO)C' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: CC=(CO)C 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 4: 60: [07:01:14] CC=(CO)C 60: [07:01:14] ~~~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'CC=(CO)C' for input: 'CC=(CO)C' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: baz 60: [07:01:14] SMILES Parse Error: check for mistakes around position 2: 60: [07:01:14] baz 60: [07:01:14] ~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'baz' for input: 'baz' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: baz 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 3: 60: [07:01:14] baz 60: [07:01:14] ~~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'baz' for input: 'baz' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: fff 60: [07:01:14] SMILES Parse Error: check for mistakes around position 1: 60: [07:01:14] fff 60: [07:01:14] ^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'fff' for input: 'fff' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: fff 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 1: 60: [07:01:14] fff 60: [07:01:14] ^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'fff' for input: 'fff' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: C+0 60: [07:01:14] SMILES Parse Error: check for mistakes around position 2: 60: [07:01:14] C+0 60: [07:01:14] ~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'C+0' for input: 'C+0' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: C+0 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 2: 60: [07:01:14] C+0 60: [07:01:14] ~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'C+0' for input: 'C+0' 60: [07:01:14] SMILES Parse Error: number too large while parsing: [555555555555555555C] 60: [07:01:14] SMILES Parse Error: check for mistakes around position 11: 60: [07:01:14] [555555555555555555C] 60: [07:01:14] ~~~~~~~~~~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES '[555555555555555555C]' for input: '[555555555555555555C]' 60: [07:01:14] SMARTS Parse Error: number too large while parsing: [555555555555555555C] 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 11: 60: [07:01:14] [555555555555555555C] 60: [07:01:14] ~~~~~~~~~~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS '[555555555555555555C]' for input: '[555555555555555555C]' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: [Fe@TD] 60: [07:01:14] SMILES Parse Error: check for mistakes around position 5: 60: [07:01:14] [Fe@TD] 60: [07:01:14] ~~~~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES '[Fe@TD]' for input: '[Fe@TD]' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: [Fe@TD] 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 5: 60: [07:01:14] [Fe@TD] 60: [07:01:14] ~~~~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS '[Fe@TD]' for input: '[Fe@TD]' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: c%()ccccc%() 60: [07:01:14] SMILES Parse Error: check for mistakes around position 4: 60: [07:01:14] c%()ccccc%() 60: [07:01:14] ~~~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: c%()ccccc%() 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 4: 60: [07:01:14] c%()ccccc%() 60: [07:01:14] ~~~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'c%()ccccc%()' for input: 'c%()ccccc%()' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000) 60: [07:01:14] SMILES Parse Error: check for mistakes around position 9: 60: [07:01:14] c%(100000)ccccc%(100000) 60: [07:01:14] ~~~~~~~~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: c%(100000)ccccc%(100000) 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 9: 60: [07:01:14] c%(100000)ccccc%(100000) 60: [07:01:14] ~~~~~~~~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)' 60: [07:01:14] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 60: [07:01:14] SMILES Parse Error: check for mistakes around position 14: 60: [07:01:14] COc(c1)cccc1C# 60: [07:01:14] ~~~~~~~~~~~~~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 14: 60: [07:01:14] COc(c1)cccc1C# 60: [07:01:14] ~~~~~~~~~~~~~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 60: [07:01:14] SMILES Parse Error: extra close parentheses while parsing: C) 60: [07:01:14] SMILES Parse Error: check for mistakes around position 2: 60: [07:01:14] C) 60: [07:01:14] ~^ 60: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)' 60: [07:01:14] SMARTS Parse Error: syntax error while parsing: C) 60: [07:01:14] SMARTS Parse Error: check for mistakes around position 2: 60: [07:01:14] C) 60: [07:01:14] ~^ 60: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'C)' for input: 'C)' 60: =============================================================================== 60: All tests passed (1695 assertions in 73 test cases) 60: 55/256 Test #60: smiTest1 ............................... Passed 0.21 sec test 61 Start 61: smiTest2 61: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2 61: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse 61: Test timeout computed to be: 7200 61: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO' 61: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O' 61: [07:01:14] SMILES Parse Error: syntax error while parsing: - 61: [07:01:14] SMILES Parse Error: check for mistakes around position 1: 61: [07:01:14] - 61: [07:01:14] ^ 61: [07:01:14] SMILES Parse Error: Failed parsing SMILES '-' for input: '-' 61: [07:01:14] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]' 61: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C' 61: [07:01:14] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O' 61: [07:01:14] SMILES Parse Error: Failed parsing SMILES '*' for input: '*' 61: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO' 61: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O' 61: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-' 61: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]' 61: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C' 61: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O' 61: [07:01:14] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*' 56/256 Test #61: smiTest2 ............................... Passed 0.01 sec test 62 Start 62: cxsmilesTest 62: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/cxsmilesTest 62: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse 62: Test timeout computed to be: 7200 62: Randomness seeded to: 3558946720 62: Test 62: 62: ShortAtropisomerNoCoords.cxsmi 62: 62: Test 62: 62: ShortAtropisomer.cxsmi 62: 62: Test 62: 62: ShortAtropisomerArom.cxsmi 62: 62: Test 62: 62: AtropManyChirals.cxsmi 62: 62: Test 62: 62: AtropManyChiralsEnhanced.cxsmi 62: 62: Test 62: 62: AtropManyChiralsEnhanced2.cxsmi 62: 62: Test 62: 62: AtropManyChiralsEnhanced3.cxsmi 62: 62: Test 62: 62: AtropManyChiralsEnhanced4.cxsmi 62: 62: Test 62: 62: BMS-986142_3d_chiral.cxsmi 62: 62: Test 62: 62: BMS-986142_3d.cxsmi 62: 62: Test 62: 62: BMS-986142_atrop1.cxsmi 62: 62: Test 62: 62: BMS-986142_atrop2.cxsmi 62: 62: Test 62: 62: BMS-986142_atrop3.cxsmi 62: 62: Test 62: 62: BMS-986142_atrop4.cxsmi 62: 62: Test 62: 62: BMS-986142_atrop5.cxsmi 62: 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: Test 62: 62: BMS-986142_atrop6.cxsmi 62: 62: Test 62: 62: BMS-986142_atropBad1.cxsmi 62: 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 62: Test 62: 62: BMS-986142_atropBad2.cxsmi 62: 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 62: Test 62: 62: JDQ443_3d.cxsmi 62: 62: Test 62: 62: JDQ443_atrop1.cxsmi 62: 62: Test 62: 62: JDQ443_atrop2.cxsmi 62: 62: Test 62: 62: JDQ443_atrop3.cxsmi 62: 62: Test 62: 62: JDQ443_atrop4.cxsmi 62: 62: Test 62: 62: JDQ443_atropBad1.cxsmi 62: 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 62: Test 62: 62: RP-6306_atrop1.cxsmi 62: 62: Test 62: 62: RP-6306_atrop2.cxsmi 62: 62: Test 62: 62: RP-6306_atrop3.cxsmi 62: 62: Test 62: 62: RP-6306_atrop4.cxsmi 62: 62: Test 62: 62: RP-6306_atrop5.cxsmi 62: 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 62: Test 62: 62: RP-6306_atrop6.cxsmi 62: 62: Test 62: 62: RP-6306_atropBad1.cxsmi 62: 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 62: Test 62: 62: RP-6306_atropBad2.cxsmi 62: 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 62: Test 62: 62: RP-6306_3d.cxsmi 62: 62: Test 62: 62: Sotorasib_atrop1.cxsmi 62: 62: Test 62: 62: Sotorasib_atrop2.cxsmi 62: 62: Test 62: 62: Sotorasib_atrop3.cxsmi 62: 62: Test 62: 62: Sotorasib_atrop4.cxsmi 62: 62: Test 62: 62: Sotorasib_atrop5.cxsmi 62: 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 62: [07:01:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 62: Test 62: 62: Sotorasib_atropBad1.cxsmi 62: 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 62: Test 62: 62: Sotorasib_atropBad2.cxsmi 62: 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 62: [07:01:14] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 62: Test 62: 62: Sotorasib_3d.cxsmi 62: 62: Test 62: 62: ZM374979_atrop1.cxsmi 62: 62: Test 62: 62: ZM374979_atrop2.cxsmi 62: 62: Test 62: 62: ZM374979_atrop3.cxsmi 62: 62: Test 62: 62: ZM374979_atrop4.cxsmi 62: 62: Test 62: 62: ZM374979_atropBad1.cxsmi 62: 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 62: Test 62: 62: Mrtx1719_3d.cxsmi 62: 62: Test 62: 62: Mrtx1719_atrop1.cxsmi 62: 62: Test 62: 62: Mrtx1719_atrop2.cxsmi 62: 62: Test 62: 62: Mrtx1719_atrop3.cxsmi 62: 62: Test 62: 62: Mrtx1719_atrop4.cxsmi 62: 62: Test 62: 62: Mrtx1719_atropBad1.cxsmi 62: 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 62: [07:01:14] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 29: Checking against /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 29: All 191 tests passed 29: 29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi... 62: Test 62: 62: AtropCanon1.cxsmi 62: 62: Test 62: 62: AtropCanon2.cxsmi 62: 62: Test 62: 62: AtropCanon3.cxsmi 62: 62: Test 62: 62: BMS-986142_3d_chiral.cxsmi 62: 62: Test 62: 62: BMS-986142_3d.cxsmi 62: 62: [07:01:15] Atom 3 appears more than once in stereo group specification! 62: =============================================================================== 62: All tests passed (2525 assertions in 35 test cases) 62: 57/256 Test #62: cxsmilesTest ........................... Passed 1.05 sec test 63 Start 63: smaTest1 63: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smaTest1 63: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse 63: Test timeout computed to be: 7200 63: [07:01:15] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC 63: [07:01:15] SMARTS Parse Error: check for mistakes around position 6: 63: [07:01:15] [C:10H3]CC 63: [07:01:15] ~~~~~^ 63: [07:01:15] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC' 63: [07:01:15] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON 63: [07:01:15] SMARTS Parse Error: check for mistakes around position 6: 63: [07:01:15] [C:10:3]ON 63: [07:01:15] ~~~~~^ 63: [07:01:15] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON' 63: [07:01:15] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 63: [07:01:15] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 63: Testing SMILES: O=C1C[C@]([H])1F [#8]=[#6]1-[#6]-[#6@H]-1-[#9] 63: Testing SMILES: Cl[C@@H]1CCC1=O [#17]-[#6@@H]1-[#6]-[#6]-[#6]-1=[#8] 63: 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 63: 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 63: 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] 63: 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 63: Testing SMILES: O=C1C[C@](Cl)1F [#8]=[#6]1-[#6]-[#6@@]-1(-[#17])-[#9] 63: Testing SMILES: Br[C@@H](Cl)F [#35]-[#6@@H](-[#17])-[#9] 58/256 Test #63: smaTest1 ............................... Passed 0.07 sec test 64 Start 64: smiTestCatch 64: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch 64: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse 64: Test timeout computed to be: 7200 64: Randomness seeded to: 1241242259 64: [07:01:15] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 64: [07:01:15] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 64: [07:01:15] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 64: [07:01:15] SMARTS Parse Error: unclosed ring for input: 'c1ccccc' 64: [07:01:15] SMARTS Parse Error: unclosed ring for input: 'C1C' 64: [07:01:15] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 64: [07:01:15] SMARTS Parse Error: syntax error while parsing: C)foo 64: [07:01:15] SMARTS Parse Error: check for mistakes around position 2: 64: [07:01:15] C)foo 64: [07:01:15] ~^ 64: [07:01:15] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo' 64: [07:01:15] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| 64: [07:01:15] SMARTS Parse Error: check for mistakes around position 4: 64: [07:01:15] CCC |$foo;;bar$| 64: [07:01:15] ~~~^ 64: [07:01:15] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|' 64: [07:01:15] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu' 64: [07:01:15] w block attempts to set wedging on bond 0 more than once. 64: [07:01:15] improperly formatted w block 64: [07:01:15] atom 3 is not associated with bond 1(1-2) in w block 64: [07:01:16] SMARTS Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5' 64: [07:01:16] SMILES Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5' 64: [07:01:16] SMARTS Parse Error: syntax error while parsing: C1C)foo 64: [07:01:16] SMARTS Parse Error: check for mistakes around position 4: 64: [07:01:16] C1C)foo 64: [07:01:16] ~~~^ 64: [07:01:16] SMARTS Parse Error: Failed parsing SMARTS 'C1C)foo' for input: 'C1C)foo' 64: [07:01:16] SMILES Parse Error: extra close parentheses while parsing: C1C)foo 64: [07:01:16] SMILES Parse Error: check for mistakes around position 4: 64: [07:01:16] C1C)foo 64: [07:01:16] ~~~^ 64: [07:01:16] SMILES Parse Error: Failed parsing SMILES 'C1C)foo' for input: 'C1C)foo' 64: [07:01:16] 64: 64: **** 64: Pre-condition Violation 64: rootedAtAtom must be less than the number of atoms 64: Violation occurred on line 498 in file ./Code/GraphMol/SmilesParse/SmilesWrite.cpp 64: Failed Expression: params.rootedAtAtom < 0 || static_cast(params.rootedAtAtom) < mol.getNumAtoms() 64: ---------- 64: Stacktrace: 64: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 64: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 64: 2# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1 64: 3# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1 64: 4# 0x000000000004C372 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch 64: 5# 0x00000000000E173C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch 64: 6# 0x00000000000E2D32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch 64: 7# 0x00000000000E319A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch 64: 8# 0x00000000000B5791 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch 64: 9# 0x00000000000B5A8C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch 64: 10# 0x0000000000044F6E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch 64: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 64: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 64: 13# 0x0000000000044FB1 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch 64: ---------- 64: **** 64: 64: [07:01:16] SMILES Parse Error: syntax error while parsing: CClâ‚‚O 64: [07:01:16] SMILES Parse Error: check for mistakes around position 4: 64: [07:01:16] CClâ‚‚O 64: [07:01:16] ~~~^ 64: [07:01:16] SMILES Parse Error: Failed parsing SMILES 'CClâ‚‚O' for input: 'CClâ‚‚O' 64: [07:01:16] SMARTS Parse Error: syntax error while parsing: CClâ‚‚O 64: [07:01:16] SMARTS Parse Error: check for mistakes around position 4: 64: [07:01:16] CClâ‚‚O 64: [07:01:16] ~~~^ 64: [07:01:16] SMARTS Parse Error: Failed parsing SMARTS 'CClâ‚‚O' for input: 'CClâ‚‚O' 64: [07:01:16] SMILES Parse Error: syntax error while parsing: CClâ‚‚OZrâ‚‚CClO 64: [07:01:16] SMILES Parse Error: check for mistakes around position 4: 64: [07:01:16] CClâ‚‚OZrâ‚‚CClO 64: [07:01:16] ~~~^ 64: [07:01:16] SMILES Parse Error: Failed parsing SMILES 'CClâ‚‚OZrâ‚‚CClO' for input: 'CClâ‚‚OZrâ‚‚CClO' 64: [07:01:16] SMARTS Parse Error: syntax error while parsing: CClâ‚‚OZrâ‚‚CClO 64: [07:01:16] SMARTS Parse Error: check for mistakes around position 4: 64: [07:01:16] CClâ‚‚OZrâ‚‚CClO 64: [07:01:16] ~~~^ 64: [07:01:16] SMARTS Parse Error: Failed parsing SMARTS 'CClâ‚‚OZrâ‚‚CClO' for input: 'CClâ‚‚OZrâ‚‚CClO' 64: [07:01:16] SMILES Parse Error: chiral permutation cannot be zero while parsing: C[As@TB0](F)(Cl)(O)Br 64: [07:01:16] SMILES Parse Error: check for mistakes around position 8: 64: [07:01:16] C[As@TB0](F)(Cl)(O)Br 64: [07:01:16] ~~~~~~~^ 64: [07:01:16] SMILES Parse Error: Failed parsing SMILES 'C[As@TB0](F)(Cl)(O)Br' for input: 'C[As@TB0](F)(Cl)(O)Br' 64: [07:01:16] SMARTS Parse Error: chiral permutation cannot be zero while parsing: C[As@TB0](F)(Cl)(O)Br 64: [07:01:16] SMARTS Parse Error: check for mistakes around position 8: 64: [07:01:16] C[As@TB0](F)(Cl)(O)Br 64: [07:01:16] ~~~~~~~^ 64: [07:01:16] SMARTS Parse Error: Failed parsing SMARTS 'C[As@TB0](F)(Cl)(O)Br' for input: 'C[As@TB0](F)(Cl)(O)Br' 64: =============================================================================== 64: All tests passed (1863 assertions in 79 test cases) 64: 59/256 Test #64: smiTestCatch ........................... Passed 1.21 sec test 65 Start 65: nontetrahedralCatch 65: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch 65: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse 65: Test timeout computed to be: 7200 65: Randomness seeded to: 2476345961 65: [07:01:16] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 65: [07:01:16] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 65: [07:01:16] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 65: [07:01:16] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 65: [07:01:16] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 65: [07:01:16] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 65: [07:01:16] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 65: [07:01:16] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 65: [07:01:16] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false. 65: =============================================================================== 65: All tests passed (308 assertions in 9 test cases) 65: 60/256 Test #65: nontetrahedralCatch .................... Passed 0.03 sec test 66 Start 66: v2smiTestCatch 66: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/v2smiTestCatch 66: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse 66: Test timeout computed to be: 7200 66: Randomness seeded to: 1853295302 66: =============================================================================== 66: All tests passed (14 assertions in 2 test cases) 66: 61/256 Test #66: v2smiTestCatch ......................... Passed 0.01 sec test 67 Start 67: smartsTestCatch 67: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smartsTestCatch 67: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse 67: Test timeout computed to be: 7200 67: Randomness seeded to: 236663673 67: =============================================================================== 67: All tests passed (234 assertions in 4 test cases) 67: 62/256 Test #67: smartsTestCatch ........................ Passed 0.01 sec test 68 Start 68: testDepictor 68: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/testDepictor 68: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor 68: Test timeout computed to be: 7200 68: [07:01:16] *********************************************************** 68: [07:01:16] test1 68: [07:01:16] *********************************************************** 68: 68: [07:01:16] *********************************************************** 68: [07:01:16] testCollisions 68: [07:01:16] *********************************************************** 68: 68: [07:01:16] *********************************************************** 68: [07:01:16] testAddHs 68: [07:01:16] *********************************************************** 68: 68: [07:01:16] *********************************************************** 68: [07:01:16] test198 68: [07:01:16] *********************************************************** 68: 68: [07:01:16] *********************************************************** 68: [07:01:16] test2 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] test3 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] test4 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] tempTest 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Issue248 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test Queries 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test crashes associated with RemoveHs 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test Issue 2091304 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test Issue 2821647 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test Issue 2948402 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test Issue 2995724 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Testing a change of the depictor bond length 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test Issue 3122141 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test Issue 3135833 68: [07:01:16] Warning: stereochemistry around double bond may be incorrect in depiction. 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test Issue 3487469 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test GitHub Issue 8 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test GitHub Issue 78 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test GitHub Issue 910 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test GitHub Issue 1073 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] testConstrainedCoords 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test GitHub Issue 1112: Bad coordinate generation for H2 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test Issue 2303566 68: [07:01:16] *********************************************************** 68: [07:01:16] *********************************************************** 68: [07:01:16] Test GitHub Issue 1286: GenerateDepictionMatching2DStructure isn't matching 2D structure 68: [07:01:16] *********************************************************** 68: [07:01:16] ----------------------- 68: Testing Github issue 1691: Acetylenic hydrogens not given appropriate 2D coordinates 68: [07:01:16] Finished 68: [07:01:16] ----------------------- 68: Testing Github issue 2027: "linear" fragments not canonically oriented 68: [07:01:16] Finished 68: [07:01:16] ----------------------- 68: Test generateDepictionMatching2DStructure with refPattern and matchVect 68: [07:01:16] Finished 68: [07:01:16] ----------------------- 68: Test generateDepictionMatching2DStructure with allowRGroups 68: [07:01:16] Finished 68: [07:01:16] ----------------------- 68: Test generateDepictionMatching2DStructure with allowRGroups 68: [07:01:16] Finished 68: [07:01:16] ----------------------- 68: Test normalize and straighten depiction 68: [07:01:16] Finished 68: [07:01:16] ----------------------- 68: Test that ring system templates are valid 29: Checking against /build/reproducible-path/rdkit-202603.4/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 29: All 191 tests passed 29: done 29: ------------------------------------- 29: Unit tests for all MMFF constraint terms. 29: 10.0003 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. 68: [07:01:16] Finished 63/256 Test #68: testDepictor ........................... Passed 0.31 sec test 69 Start 69: depictorCatch 69: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/depictorCatch 69: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor 69: Test timeout computed to be: 7200 69: Randomness seeded to: 2481988945 69: =============================================================================== 69: All tests passed (1925 assertions in 24 test cases) 69: 29: done 64/256 Test #29: testMMFFForceField ..................... Passed 7.12 sec test 70 Start 70: pyDepictor 70: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Depictor/Wrap/testDepictor.py" 70: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap 70: Test timeout computed to be: 7200 65/256 Test #69: depictorCatch .......................... Passed 0.15 sec test 71 Start 71: testMrvToMol 71: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol 71: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse 71: Test timeout computed to be: 7200 71: Using new chirality perception 71: Test 71: 71: rxnStereoMarkedCrossed.mrv 71: 71: Test 71: 71: 145323811.mol 71: 71: [07:01:17] unsupported number of radical electrons 5 71: Test 71: 71: NewChiralTest.sdf 71: 71: Test 71: 71: NewChiralTest.sdf 71: 71: Test 71: 71: NewChiralTestNoChiral.sdf 71: 71: Test 71: 71: NewChiralTestNoChiral.sdf 71: 71: Test 71: 71: NewChiralTestAllChiral.sdf 71: 71: Test 71: 71: NewChiralTestAllChiral.sdf 71: 71: Test 71: 71: vendor839.sdf 71: 71: Test 71: 71: ProblemShort.mol 71: 71: [07:01:17] For a MultipleSgroup expansion, the matching orphaned bond was not found 71: The multiple sgroup will be ignored 71: Test 71: 71: badWedgeError.sdf 71: 71: Test 71: 71: CrossedDoubleBondWithChiralNbr2.sdf 71: 71: Test 71: 71: CrossedDoubleBondWithChiralNbr.sdf 71: 71: Test 71: 71: SimpleWiggleDoubleBond.sdf 71: 71: Test 71: 71: lostStereoAnd.sdf 71: 71: Test 71: 71: DoubleBondChain.sdf 71: 71: Test 71: 71: UnitsError.sdf 71: 71: Test 71: 71: StarAtom.sdf 71: 71: Test 71: 71: nonProprietary.mol 71: 71: Test 71: 71: ChiralTest.sdf 71: 71: Test 71: 71: TestBond1.mol 71: 71: Test 71: 71: Sgroup_MUL_ParentInMiddle.sdf 71: 71: Test 71: 71: BadRxn.rxn 71: 71: Test 71: 71: FalseChiral.mrv 71: 71: Test 71: 71: FalseChiral.mrv 71: 71: Test 71: 71: Cubane.mrv 71: 71: Test 71: 71: NewChiralTest.mrv 71: 71: Test 71: 71: NewChiralTest.mrv 71: 71: Test 71: 71: NewChiralTestNoChiral.mrv 71: 71: Test 71: 71: NewChiralTestNoChiral.mrv 71: 71: Test 71: 71: NewChiralTestAllChiral.mrv 71: 71: Test 71: 71: NewChiralTestAllChiral.mrv 71: 71: Test 71: 71: DataSgroupMissingUnitsDisplayed.mrv 71: 71: Test 71: 71: lostStereoAnd.mrv 71: 71: Test 71: 71: DoubleBondChain.mrv 71: 71: Test 71: 71: WigglyAndCrossed.mrv 71: 71: Test 71: 71: BondTypes.mrv 71: 71: Test 71: 71: EmbeddedSGroupSUP_MUL.mrv 71: 71: Test 71: 71: EmbeddedSgroupCOP_SUP.mrv 71: 71: Test 71: 71: EmbeddedSgroupDAT_SUP.mrv 71: 71: Test 71: 71: EmbeddedSgroupMULTICENTER_SUP.mrv 71: 71: Test 71: 71: EmbeddedSgroupMUL_MUL.mrv 71: 71: Test 71: 71: EmbeddedSgroupMUL_MUL2.mrv 71: 71: Test 71: 71: EmbeddedSgroupMUL_SUP.mrv 71: 71: Test 71: 71: EmbeddedSgroupSRU_SUP.mrv 71: 71: Test 71: 71: EmbeddedSgroupSUPEXP_SUP.mrv 71: 71: Test 71: 71: EmbeddedSgroupSUPEXP_SUP2.mrv 71: 71: Test 71: 71: EmbeddedSgroupSUP_MULTICENTER.mrv 71: 71: Test 71: 71: EmbeddedSgroupSUP_SUP.mrv 71: 71: Test 71: 71: EmbeddedSgroupSUP_SUP2.mrv 71: 71: Test 71: 71: RgroupBad.mrv 71: 71: Test 71: 71: valenceLessThanDrawn.mrv 71: 71: Test 71: 71: data_sgroup_no_fieldname.mrv 71: 71: Test 71: 71: data_sgroup_empty_field_data.mrv 71: 71: Test 71: 71: radical_value.mrv 71: 71: Test 71: 71: emptyOneLineAtomList.mrv 71: 71: Test 71: 71: mrvValence_value.mrv 71: 71: Test 71: 71: ChiralTest2.mrv 71: 71: Test 71: 71: ChiralTest.mrv 71: 71: Test 71: 71: SnCl2.mrv 71: 71: Test 71: 71: SnH2Cl2.mrv 71: 71: Test 71: 71: marvin01.mrv 71: 71: Test 71: 71: marvin02.mrv 71: 71: Test 71: 71: marvin07.mrv 71: 71: Test 71: 71: marvin10.mrv 71: 71: Test 71: 71: marvin06.mrv 71: 71: Test 71: 71: marvin12.mrv 71: 71: Test 71: 71: EmptyMol.mrv 71: 71: Test 71: 71: Sparse.mrv 71: 71: Test 71: 71: Sparse2.mrv 71: 71: Test 71: 71: Sparse3.mrv 71: 71: Test 71: 71: MarvinNoCoords.mrv 71: 71: Test 71: 71: aspirin.mrv 71: 71: Test 71: 71: MarvinStereoGroupsZeros.mrv 71: 71: Test 71: 71: MarvinStereoGroupsAbs.mrv 71: 71: Test 71: 71: triphenylphosphine.mrv 71: 71: Test 71: 71: MarvinOldSuperGroupTest.mrv 71: 71: Test 71: 71: RadicalTests.mrv 71: 71: Test 71: 71: AnyBond.mrv 71: 71: Test 71: 71: cisBenzene.mrv 71: 71: Test 71: 71: DativeBond.mrv 71: 71: Test 71: 71: MultipleSgroup.mrv 71: 71: Test 71: 71: SgroupExpanded.mrv 71: 71: Test 71: 71: SgroupMultAttach.mrv 71: 71: Test 71: 71: MarvinMissingX2.mrv 71: 71: Test 71: 71: MarvinMissingY2.mrv 71: 71: Test 71: 71: DataSgroup.mrv 71: 71: Test 71: 71: MulticenterSgroup.mrv 71: 71: [07:01:17] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 71: [07:01:17] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 71: Test 71: 71: GenericSgroup.mrv 71: 71: Test 71: 71: MonomerSgroup.mrv 71: 71: Test 71: 71: modification_sgroup.mrv 71: 71: Test 71: 71: copolymer_sgroup.mrv 71: 71: Test 71: 71: MultipleSgroupParentInMiddleOfAtomBlock.mrv 71: 71: Test 71: 71: EmbeddedSgroups.mrv 71: 71: Test 71: 71: marvin03.mrv 71: 71: Test 71: 71: MarvinBadMissingMolID.mrv 71: 71: [07:01:17] 71: 71: **** 71: Test Assert 71: Expression Failed: 71: Violation occurred on line 353 in file ./Code/GraphMol/MarvinParse/testMrvToMol.cpp 71: Failed Expression: GetExpectedValue(expectedMrvName) == outMolStr 71: ---------- 71: Stacktrace: 71: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 71: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 71: 2# 0x00000000000169EE in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol 71: 3# 0x0000000000026333 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol 71: 4# 0x0000000000007DBE in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol 71: 5# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 71: 6# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 71: 7# 0x0000000000007F91 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol 71: ---------- 71: **** 71: 71: Test 71: 71: MarvinBadMissingAtomID.mrv 71: 71: Expected id, elementType for an atom definition in MRV file 71: Test 71: 71: MarvinBadX2.mrv 71: 71: The values x2 and y2 must be large floats in MRV file 71: Test 71: 71: MarvinBadY2.mrv 71: 71: The values x2 and y2 must be large floats in MRV file 71: Test 71: 71: MarvinBadStereoGroupsAbs.mrv 71: 71: Unrecognized group definition 71: Test 71: 71: MarvinBadElementType.mrv 71: 71: Test 71: 71: MarvinBadMissingBondID.mrv 71: 71: Test 71: 71: MarvinBadMissingBondAtomRefs 71: 71: Test 71: 71: MarvinBadMissingBondOrder.mrv 71: 71: bond must have one of: order, queryType, or convention in MRV File 71: Test 71: 71: MarvinBadMissingSruMolID.mrv 71: 71: Expected a molID in MRV file 71: Test 71: 71: MarvinBadMissingSruID.mrv 71: 71: Test 71: 71: MarvinBadMissingSruRole.mrv 71: 71: Test 71: 71: MarvinBadMissingSruAtomRef.mrv 71: 71: Test 71: 71: MarvinBadMissingSruTitle.mrv 71: 71: Test 71: 71: MarvinBadSruAtomRef.mrv 71: 71: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 71: Test 71: 71: MarvinBadSruID.mrv 71: 71: Test 71: 71: MarvinBadSruRole.mrv 71: 71: Test 71: 71: MarvinBadSruAtomRef.mrv 71: 71: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 71: Test 71: 71: MarvinBadSruAtomRef.mrv 71: 71: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 71: Test 71: 71: MarvinBadSruConnect.mrv 71: 71: Expected a connect string of "hh, ht, eu" for a SruSgroup definition in MRV file 71: Test 71: 71: MarvinBadSupAttachAtom.mrv 71: 71: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 71: Test 71: 71: MarvinBadSupAttachBond.mrv 71: 71: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file 71: Test 71: 71: MarvinBadSupAttachOrder.mrv 71: 71: Order for an AttachmentPoint definition must be an integer in MRV file 71: Test 71: 71: MarvinBadSupAttachAtom.mrv 71: 71: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 71: Test 71: 71: MarvinBadSupAttachAtom.mrv 71: 71: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 71: Test 71: 71: MarvinBadSupAttachAtom.mrv 71: 71: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 71: Test 71: 71: MarvinBadSupMissingAttachBond.mrv 71: 71: No attachment point found for bond to the condensed atom in a superatomSgroup 71: Test 71: 71: MarvinBadSupMissingAttachOrder.mrv 71: 71: Expected atom, order and bond, for an AttachmentPoint definition in MRV file 71: Test 71: 71: marvin03.mrv 71: 71: Test 71: 71: Cubane.mrv 71: 71: Test 71: 71: FalseAtropisomer.mrv 71: 71: Test 71: 71: AtropEnhancedStereo.mrv 71: 71: Test 71: 71: AtropManyChirals.mrv 71: 71: Test 71: 71: AtropManyChiralsEnhanced.mrv 71: 71: Test 71: 71: AtropManyChiralsEnhanced2.mrv 71: 71: Test 71: 71: AtropManyChiralsEnhanced3.mrv 71: 71: Test 71: 71: AtropManyChiralsEnhanced4.mrv 71: 71: Test 71: 71: BMS-986142_3d_chiral.mrv 71: 71: Test 71: 71: BMS-986142_3d.mrv 71: 71: Test 71: 71: BMS-986142_atrop1.mrv 71: 71: Test 71: 71: BMS-986142_atrop2.mrv 71: 71: Test 71: 71: BMS-986142_atrop3.mrv 71: 71: Test 71: 71: BMS-986142_atrop4.mrv 71: 71: Test 71: 71: BMS-986142_atrop5.mrv 71: 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: Test 71: 71: BMS-986142_atrop6.mrv 71: 71: Test 71: 71: BMS-986142_atrop7.mrv 71: 71: Test 71: 71: BMS-986142_atrop8.mrv 71: 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: Test 71: 71: BMS-986142_atropBad2.mrv 71: 71: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 71: Test 71: 71: JDQ443_3d.mrv 71: 71: Test 71: 71: JDQ443_atrop1.mrv 71: 71: Test 71: 71: JDQ443_atrop2.mrv 71: 71: Test 71: 71: JDQ443_atrop3.mrv 71: 71: Test 71: 71: JDQ443_atropBad1.mrv 71: 71: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 71: Test 71: 71: RP-6306_atrop1.mrv 71: 71: Test 71: 71: RP-6306_atrop2.mrv 71: 71: Test 71: 71: RP-6306_atrop3.mrv 71: 71: Test 71: 71: RP-6306_atrop4.mrv 71: 71: Test 71: 71: RP-6306_atrop5.mrv 71: 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 71: Test 71: 71: RP-6306_atropBad1.mrv 71: 71: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 71: Test 71: 71: RP-6306_atropBad2.mrv 71: 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 71: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 71: Test 71: 71: RP-6306_3d.mrv 71: 71: Test 71: 71: Sotorasib_atrop1.mrv 71: 71: Test 71: 71: Sotorasib_atrop2.mrv 71: 71: Test 71: 71: Sotorasib_atrop3.mrv 71: 71: Test 71: 71: Sotorasib_atrop4.mrv 71: 71: Test 71: 71: Sotorasib_atrop5.mrv 71: 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: Test 71: 71: Sotorasib_atropBad1.mrv 71: 71: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 71: Test 71: 71: Sotorasib_atropBad2.mrv 71: 71: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 70: ...............[07:01:17] SMARTS Parse Error: syntax error while parsing: invalidsmiles 70: [07:01:17] SMARTS Parse Error: check for mistakes around position 1: 70: [07:01:17] invalidsmiles 70: [07:01:17] ^ 70: [07:01:17] SMARTS Parse Error: Failed parsing SMARTS 'invalidsmiles' for input: 'invalidsmiles' 71: Test 71: 71: Sotorasib_3d.mrv 71: 71: Test 71: 71: ZM374979_atrop1.mrv 71: 71: Test 71: 71: ZM374979_atrop2.mrv 71: 71: Test 71: 71: ZM374979_atrop3.mrv 71: 71: Test 71: 71: ZM374979_atropBad1.mrv 71: 71: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 71: Test 71: 71: mrtx1719_3d.mrv 71: 71: Test 71: 71: mrtx1719_atrop1.mrv 71: 71: Test 71: 71: mrtx1719_atrop2.mrv 71: 71: Test 71: 71: mrtx1719_atrop3.mrv 71: 71: Test 71: 71: mrtx1719_atropBad1.mrv 71: 71: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 71: Test 71: 71: FalseAtropisomer.mrv 71: 71: Test 71: 71: AtropEnhancedStereo.mrv 71: 71: Test 71: 71: AtropManyChirals.mrv 71: 71: Test 71: 71: AtropManyChiralsEnhanced.mrv 71: 71: Test 71: 71: AtropManyChiralsEnhanced2.mrv 71: 71: Test 71: 71: AtropManyChiralsEnhanced3.mrv 71: 71: Test 71: 71: AtropManyChiralsEnhanced4.mrv 71: 71: Test 71: 71: BMS-986142_3d_chiral.mrv 71: 71: Test 71: 71: BMS-986142_3d.mrv 71: 71: Test 71: 71: BMS-986142_atrop1.mrv 71: 71: Test 71: 71: BMS-986142_atrop2.mrv 71: 71: Test 71: 71: BMS-986142_atrop3.mrv 71: 71: Test 71: 71: BMS-986142_atrop4.mrv 71: 71: Test 71: 71: BMS-986142_atrop5.mrv 71: 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: Test 71: 71: BMS-986142_atrop6.mrv 71: 71: Test 71: 71: BMS-986142_atrop7.mrv 71: 71: Test 71: 71: BMS-986142_atrop8.mrv 71: 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: Test 71: 71: BMS-986142_atropBad2.mrv 71: 71: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 71: Test 71: 71: JDQ443_3d.mrv 71: 71: Test 71: 71: JDQ443_atrop1.mrv 71: 71: Test 71: 71: JDQ443_atrop2.mrv 71: 71: Test 71: 71: JDQ443_atrop3.mrv 71: 71: Test 71: 71: JDQ443_atropBad1.mrv 71: 71: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 71: Test 71: 71: RP-6306_atrop1.mrv 71: 71: Test 71: 71: RP-6306_atrop2.mrv 71: 71: Test 71: 71: RP-6306_atrop3.mrv 71: 71: Test 71: 71: RP-6306_atrop4.mrv 71: 71: Test 71: 71: RP-6306_atrop5.mrv 71: 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 71: Test 71: 71: RP-6306_atropBad1.mrv 71: 71: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 71: Test 71: 71: RP-6306_atropBad2.mrv 71: 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 71: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 71: Test 71: 71: RP-6306_3d.mrv 71: 71: Test 71: 71: Sotorasib_atrop1.mrv 71: 71: Test 71: 71: Sotorasib_atrop2.mrv 71: 71: Test 71: 71: Sotorasib_atrop3.mrv 71: 71: Test 71: 71: Sotorasib_atrop4.mrv 71: 71: Test 71: 71: Sotorasib_atrop5.mrv 71: 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: Test 71: 71: Sotorasib_atropBad1.mrv 71: 71: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 71: Test 71: 71: Sotorasib_atropBad2.mrv 71: 71: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 71: Test 71: 71: Sotorasib_3d.mrv 71: 71: Test 71: 71: ZM374979_atrop1.mrv 71: 71: Test 71: 71: ZM374979_atrop2.mrv 71: 71: Test 71: 71: ZM374979_atrop3.mrv 71: 71: Test 71: 71: ZM374979_atropBad1.mrv 71: 71: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 71: Test 71: 71: mrtx1719_3d.mrv 71: 71: Test 71: 71: mrtx1719_atrop1.mrv 71: 71: Test 71: 71: mrtx1719_atrop2.mrv 71: 71: Test 71: 71: mrtx1719_atrop3.mrv 71: 71: Test 71: 71: mrtx1719_atropBad1.mrv 71: 71: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 71: Test 71: 71: AlexRxn.mrv 71: 71: Test 71: 71: BadReactionSign.mrv 71: 71: Test 71: 71: bondArray_node.mrv 71: 71: Test 71: 71: marvin03.mrv 71: 71: Test 71: 71: marvin04.mrv 71: 71: Test 71: 71: marvin08.mrv 71: 71: Test 71: 71: marvin09.mrv 71: 71: Test 71: 71: marvin11.mrv 71: 71: Test 71: 71: marvin05.mrv 71: 71: Test 71: 71: EmptyRxn.mrv 71: 71: [07:01:17] initialization failed 71: Test 71: 71: RxnNoCoords.mrv 71: 71: Test 71: 71: mrvValenceZero.mrv 71: 71: Test 71: 71: condition_coordinates_mpoint.mrv 71: 71: Test 71: 71: marvin01.mrv 71: 71: Test 71: 71: aspirineSynthesisWithAttributes.mrv 71: 71: Test 71: 71: marvin01.mrv 71: 71: Test 71: 71: NewChiralTest 71: 71: Test 71: 71: NewChiralTest 71: 71: Test 71: 71: NewChiralTestNoChiral 71: 71: Test 71: 71: NewChiralTestNoChiral 71: 71: Test 71: 71: NewChiralTest2 71: 71: Test 71: 71: NewChiralTest2 71: 71: Test 71: 71: NewChiralTest2AllChiral 71: 71: Test 71: 71: NewChiralTest2AllChiral 71: 71: Test 71: 71: Vendor839 71: 71: Test 71: 71: DoubleBondChain 71: 71: Test 71: 71: Na_Mg_Al_OH 71: 71: Test 71: 71: Pb 71: 71: Test 71: 71: O_Mg_Si 71: 71: Test 71: 71: SquiggleBond 71: 71: Test 71: 71: BigMacrocycle 71: 71: Test 71: 71: Smiles1 71: 66/256 Test #71: testMrvToMol ........................... Passed 0.57 sec test 72 Start 72: fileParsersTest1 72: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 72: Test timeout computed to be: 7200 72: *************************************** 72: *************************************** 70: ..... 70: ---------------------------------------------------------------------- 72: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 72: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 70: Ran 20 tests in 0.451s 70: 70: OK 72: [07:01:17] bond with order 0 found on line 7. This is not part of the MDL specification. 72: [07:01:17] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7) 72: [07:01:17] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7) 72: [07:01:17] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 72: generating smiles 72: 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 72: converting back 72: check isomorphism 67/256 Test #70: pyDepictor ............................. Passed 0.66 sec test 73 Start 73: testAtropisomers 73: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testAtropisomers 73: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 73: Test timeout computed to be: 7200 73: [07:01:17] ---- Running with POSIX locale ----- 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 73: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 73: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 73: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 73: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 73: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 73: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 73: [07:01:17] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 73: [07:01:17] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 73: Atropisomers- 1 hits 3 misses 73: Final results: 73: Found atropisomers in TestMultInSDF.sdf - 1 hits 4 misses 68/256 Test #73: testAtropisomers ....................... Passed 0.13 sec test 74 Start 74: testSquiggleDoubleBonds 74: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSquiggleDoubleBonds 74: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 74: Test timeout computed to be: 7200 74: Randomness seeded to: 3719795324 74: =============================================================================== 74: All tests passed (15 assertions in 3 test cases) 74: 69/256 Test #74: testSquiggleDoubleBonds ................ Passed 0.02 sec test 75 Start 75: testMolSupplier 75: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier 75: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 75: Test timeout computed to be: 7200 75: Randomness seeded to: 89211848 75: [07:01:17] Ignoring invalid chirality label: '2_bad_chirality' 75: [07:01:17] Ignoring invalid chirality label: '2_bad_chirality' 75: [07:01:17] SMILES Parse Error: syntax error while parsing: fail 75: [07:01:17] SMILES Parse Error: check for mistakes around position 1: 75: [07:01:17] fail 75: [07:01:17] ^ 75: [07:01:17] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail' 75: [07:01:17] ERROR: Smiles parse error on line 3 75: [07:01:17] ERROR: Cannot create molecule from : 'fail' 75: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 75: [07:01:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 75: [07:01:17] ERROR: Problems encountered parsing data fields 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: [07:01:17] ERROR: Problems encountered parsing data fields 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: [07:01:17] Spurious data before the first property will be ignored 75: [07:01:17] Property will be truncated after the first blank line 75: [07:01:17] Property will be truncated after the first blank line 75: [07:01:17] Property will be truncated after the first blank line 75: [07:01:17] ERROR: Problems encountered parsing data fields 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: [07:01:17] Property will be truncated after the first blank line 75: [07:01:17] ERROR: Problems encountered parsing data fields 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: [07:01:17] ERROR: Problems encountered parsing data fields 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: [07:01:17] Spurious data before the first property will be ignored 75: [07:01:17] Property will be truncated after the first blank line 75: [07:01:17] Property will be truncated after the first blank line 75: [07:01:17] Property will be truncated after the first blank line 75: [07:01:17] ERROR: Problems encountered parsing data fields 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: [07:01:17] Property will be truncated after the first blank line 75: [07:01:17] ERROR: End of data field name not found 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: [07:01:17] Explicit valence for atom # 0 F, 2, is greater than permitted 75: [07:01:17] ERROR: Could not sanitize molecule ending on line 16 75: [07:01:17] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 75: [07:01:17] ERROR: Atom line too short: ' 1 2 1 0 0 0 0' on line 12 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: [07:01:17] ERROR: Bond line too short: 'M END' on line 18 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: build: 75: [07:01:17] ERROR: Cannot convert 'foo' to unsigned int on line 557 75: [07:01:17] ERROR: moving to the beginning of the next molecule 72: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 72: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 72: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 72: [07:01:17] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 72: [07:01:17] deprecated group abbreviation ignored on line 24 72: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*] 72: [07:01:17] 72: 72: **** 75: [07:01:17] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 75: [07:01:17] ERROR: Smiles parse error on line 1 75: [07:01:17] ERROR: Cannot create molecule from : 'c1ccccc' 75: [07:01:17] SMILES Parse Error: extra open parentheses while parsing: C(C 75: [07:01:17] SMILES Parse Error: check for mistakes around position 2: 75: [07:01:17] C(C 75: [07:01:17] ~^ 75: [07:01:17] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C' 75: [07:01:17] ERROR: Smiles parse error on line 3 75: [07:01:17] ERROR: Cannot create molecule from : 'C(C' 75: [07:01:17] Explicit valence for atom # 1 C, 5, is greater than permitted 75: [07:01:17] ERROR: Could not sanitize molecule on line 5 75: [07:01:17] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted 75: [07:01:17] Explicit valence for atom # 1 F, 2, is greater than permitted 75: [07:01:17] ERROR: Could not sanitize molecule ending on line 21 75: [07:01:17] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 75: [07:01:17] Explicit valence for atom # 1 F, 2, is greater than permitted 75: [07:01:17] ERROR: Could not sanitize molecule ending on line 21 75: [07:01:17] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 75: [07:01:17] Explicit valence for atom # 1 F, 2, is greater than permitted 75: [07:01:17] ERROR: Could not sanitize molecule ending on line 21 75: [07:01:17] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 75: [07:01:17] ERROR: Atom line too short: ' -9.6' on line 28 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: [07:01:17] Explicit valence for atom # 1 F, 2, is greater than permitted 75: [07:01:17] ERROR: Could not sanitize molecule ending on line 21 75: [07:01:17] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 75: [07:01:17] ERROR: Atom line too short: ' -9.6' on line 28 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: [07:01:17] Ignoring invalid chirality label: '7_S_8_9_6_10' 72: Post-condition Violation 72: Element 'Mv' not found 72: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 72: Failed Expression: anum > -1 72: ---------- 72: Stacktrace: 72: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 72: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 72: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 3# 0x00000000000D75F1 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 4# 0x00000000000E5E48 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 5# 0x00000000000E60C9 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 9# 0x00000000000614EC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 10# 0x00000000000C5DA2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 11# 0x000000000003FC46 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 12# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 72: 13# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 72: 14# 0x000000000003FE41 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: ---------- 72: **** 72: 75: [07:01:17] BEGIN SGROUP found but Sgroups NOT expected on line 26 75: [07:01:17] Found 1 SGroups when 0 were expected. 75: 75: [07:01:17] ERROR: Problems encountered parsing data fields 75: [07:01:17] ERROR: moving to the beginning of the next molecule 75: =============================================================================== 75: All tests passed (1402 assertions in 42 test cases) 75: 70/256 Test #75: testMolSupplier ........................ Passed 0.17 sec test 76 Start 76: testGeneralFileReader 76: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader 76: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 76: Test timeout computed to be: 7200 72: [07:01:17] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 72: [07:01:17] 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: [07:01:17] 76: ----------------------------------------- 76: [07:01:17] Finished: testDetermineFormat() 76: [07:01:17] ----------------------------------------- 76: 76: [07:01:17] 76: ----------------------------------------- 76: [07:01:18] Finished: testSdf() 76: [07:01:18] ----------------------------------------- 76: 76: [07:01:18] 76: ----------------------------------------- 76: [07:01:18] Finished: testSmi() 76: [07:01:18] ----------------------------------------- 76: 76: [07:01:18] 76: ----------------------------------------- 72: ---------------------------------- 72: ---------------------------------- 72: [07:01:18] 72: 72: **** 72: Pre-condition Violation 72: rlabel out of range for MDL files 72: Violation occurred on line 866 in file ./Code/GraphMol/Atom.cpp 72: Failed Expression: rlabel >= 0 && rlabel < 100 72: ---------- 72: Stacktrace: 72: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 72: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 72: 2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 72: 3# 0x0000000000045FC7 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 4# 0x00000000000C5E1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 5# 0x000000000003FC46 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 6# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 72: 7# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 72: 8# 0x000000000003FE41 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: ---------- 72: **** 72: 72: [07:01:18] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 76: [07:01:18] Finished: testMae() 76: [07:01:18] ----------------------------------------- 76: 76: [07:01:18] 76: ----------------------------------------- 76: [07:01:18] Finished: testTdt() 76: [07:01:18] ----------------------------------------- 76: 71/256 Test #76: testGeneralFileReader .................. Passed 0.06 sec test 77 Start 77: testMultithreadedMolSupplier 77: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier 77: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 77: Test timeout computed to be: 7200 77: [07:01:18] 77: ----------------------------------------- 72: [07:01:18] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas 72: [07:01:18] SMARTS Parse Error: check for mistakes around position 1: 72: [07:01:18] MyDogHasFleas 72: [07:01:18] ^ 72: [07:01:18] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas' 72: [07:01:18] Empty atom list: 'M ALS 1 0 F' on line 8. 72: C 72: [07:01:18] ------------------------------------- 72: [07:01:18] Test multithreading Locale Switching 72: [07:01:18] Test multithreading (Done) 72: [07:01:18] ------------------------------------- 72: *************************************** 72: *************************************** 72: [07:01:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 72: [07:01:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 72: [07:01:18] bond with order 0 found on line 7. This is not part of the MDL specification. 72: [07:01:18] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7) 72: [07:01:18] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7) 72: [07:01:18] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 72: generating smiles 72: 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 72: converting back 72: check isomorphism 72: [07:01:18] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 72: [07:01:18] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 72: [07:01:18] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 72: [07:01:18] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 72: [07:01:18] deprecated group abbreviation ignored on line 24 72: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*] 72: [07:01:18] 72: 72: **** 72: Post-condition Violation 72: Element 'Mv' not found 72: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 72: Failed Expression: anum > -1 72: ---------- 72: Stacktrace: 72: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 72: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 72: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 3# 0x00000000000D75F1 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 4# 0x00000000000E5E48 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 5# 0x00000000000E60C9 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 72: 9# 0x00000000000614EC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 10# 0x00000000000C5DA2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 11# 0x000000000003FCCD in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 12# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 72: 13# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 72: 14# 0x000000000003FE41 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: ---------- 72: **** 72: 72: [07:01:18] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 72: [07:01:18] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 72: ---------------------------------- 72: ---------------------------------- 72: [07:01:18] 72: 72: **** 72: Pre-condition Violation 72: rlabel out of range for MDL files 72: Violation occurred on line 866 in file ./Code/GraphMol/Atom.cpp 72: Failed Expression: rlabel >= 0 && rlabel < 100 72: ---------- 72: Stacktrace: 72: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 72: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 72: 2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 72: 3# 0x0000000000045FC7 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 4# 0x00000000000C5E1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 5# 0x000000000003FCCD in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: 6# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 72: 7# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 72: 8# 0x000000000003FE41 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 72: ---------- 72: **** 72: 72: [07:01:18] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 72: [07:01:19] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas 72: [07:01:19] SMARTS Parse Error: check for mistakes around position 1: 72: [07:01:19] MyDogHasFleas 72: [07:01:19] ^ 72: [07:01:19] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas' 72: [07:01:19] Empty atom list: 'M ALS 1 0 F' on line 8. 72/256 Test #72: fileParsersTest1 ....................... Passed 1.66 sec test 78 Start 78: testMolWriter 78: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter 78: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 78: Test timeout computed to be: 7200 78: [07:01:19] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 78: 0.40201265 0.40201265 78: -0.13299436 -0.13299436 78: 1.00000017 1.00000017 78: 0.8762226 0.8762226 78: 0.9973909 0.9973909 78: 1.00000003 1.00000003 78: 0.36613799 0.36613799 78: 2.1107185 2.1107185 78: 0.99999982 0.99999982 78: 2.48696157 2.48696157 78: 1.00479935 1.00479935 78: 0.99999999 0.99999999 78: 3.03311841 3.03311841 78: 2.23739955 2.23739955 78: 1.0000001 1.0000001 78: 3.00772337 3.00772337 78: 0.37399294 0.37399294 78: 2.07713325 2.07713325 78: 3.0077234 3.0077234 78: 0.37399312 0.37399312 78: -0.07713336 -0.07713336 78: [07:01:19] bond with order 0 found on line 11. This is not part of the MDL specification. 78: [07:01:19] bond with order 0 found on line 16. This is not part of the MDL specification. 73/256 Test #78: testMolWriter .......................... Passed 0.25 sec test 79 Start 79: testTplParser 79: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testTplParser 79: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 79: Test timeout computed to be: 7200 74/256 Test #79: testTplParser .......................... Passed 0.03 sec test 80 Start 80: testMol2ToMol 80: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol 80: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 80: Test timeout computed to be: 7200 75/256 Test #80: testMol2ToMol .......................... Passed 0.03 sec test 81 Start 81: testSequence 81: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSequence 81: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 81: Test timeout computed to be: 7200 81: Sequence: GREG 81: HELM: PEPTIDE1{G.R.E.G}$$$$ 81: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O 81: PDB: 81: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 81: CONECT 1 2 81: CONECT 2 3 81: CONECT 3 4 4 5 81: CONECT 5 6 81: CONECT 6 7 9 81: CONECT 7 8 8 16 81: CONECT 9 10 81: CONECT 10 11 81: CONECT 11 12 81: CONECT 12 13 81: CONECT 13 14 14 15 81: CONECT 16 17 81: CONECT 17 18 20 81: CONECT 18 19 19 25 81: CONECT 20 21 81: CONECT 21 22 81: CONECT 22 23 23 24 81: CONECT 25 26 81: CONECT 26 27 81: CONECT 27 28 28 29 81: END 81: 81: Sequence: TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN 81: 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}$$$$ 81: 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 81: PDB: 81: ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 2 CA THR A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 3 C THR A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 4 O THR A 1 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 5 CB THR A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 6 OG1 THR A 1 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 7 CG2 THR A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 8 N THR A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 9 CA THR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 10 C THR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 11 O THR A 2 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 12 CB THR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 13 OG1 THR A 2 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 14 CG2 THR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 15 N CYS A 3 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 16 CA CYS A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 17 C CYS A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 18 O CYS A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 19 CB CYS A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 20 SG CYS A 3 0.000 0.000 0.000 1.00 0.00 S 81: ATOM 21 N CYS A 4 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 22 CA CYS A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 23 C CYS A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 24 O CYS A 4 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 25 CB CYS A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 26 SG CYS A 4 0.000 0.000 0.000 1.00 0.00 S 81: ATOM 27 N PRO A 5 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 28 CA PRO A 5 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 29 C PRO A 5 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 30 O PRO A 5 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 31 CB PRO A 5 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 32 CG PRO A 5 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 33 CD PRO A 5 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 34 N SER A 6 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 35 CA SER A 6 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 36 C SER A 6 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 37 O SER A 6 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 38 CB SER A 6 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 39 OG SER A 6 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 40 N ILE A 7 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 41 CA ILE A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 42 C ILE A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 43 O ILE A 7 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 44 CB ILE A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 45 CG1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 46 CG2 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 47 CD1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 48 N VAL A 8 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 49 CA VAL A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 50 C VAL A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 51 O VAL A 8 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 52 CB VAL A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 53 CG1 VAL A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 54 CG2 VAL A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 55 N ALA A 9 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 56 CA ALA A 9 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 57 C ALA A 9 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 58 O ALA A 9 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 59 CB ALA A 9 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 60 N ARG A 10 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 61 CA ARG A 10 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 62 C ARG A 10 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 63 O ARG A 10 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 64 CB ARG A 10 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 65 CG ARG A 10 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 66 CD ARG A 10 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 67 NE ARG A 10 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 68 CZ ARG A 10 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 69 NH1 ARG A 10 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 70 NH2 ARG A 10 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 71 N SER A 11 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 72 CA SER A 11 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 73 C SER A 11 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 74 O SER A 11 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 75 CB SER A 11 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 76 OG SER A 11 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 77 N ASN A 12 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 78 CA ASN A 12 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 79 C ASN A 12 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 80 O ASN A 12 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 81 CB ASN A 12 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 82 CG ASN A 12 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 83 OD1 ASN A 12 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 84 ND2 ASN A 12 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 85 N PHE A 13 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 86 CA PHE A 13 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 87 C PHE A 13 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 88 O PHE A 13 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 89 CB PHE A 13 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 90 CG PHE A 13 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 91 CD1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 92 CD2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 93 CE1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 94 CE2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 95 CZ PHE A 13 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 96 N ASN A 14 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 97 CA ASN A 14 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 98 C ASN A 14 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 99 O ASN A 14 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 100 CB ASN A 14 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 101 CG ASN A 14 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 102 OD1 ASN A 14 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 103 ND2 ASN A 14 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 104 N VAL A 15 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 105 CA VAL A 15 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 106 C VAL A 15 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 107 O VAL A 15 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 108 CB VAL A 15 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 109 CG1 VAL A 15 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 110 CG2 VAL A 15 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 111 N CYS A 16 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 112 CA CYS A 16 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 113 C CYS A 16 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 114 O CYS A 16 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 115 CB CYS A 16 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 116 SG CYS A 16 0.000 0.000 0.000 1.00 0.00 S 81: ATOM 117 N ARG A 17 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 118 CA ARG A 17 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 119 C ARG A 17 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 120 O ARG A 17 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 121 CB ARG A 17 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 122 CG ARG A 17 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 123 CD ARG A 17 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 124 NE ARG A 17 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 125 CZ ARG A 17 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 126 NH1 ARG A 17 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 127 NH2 ARG A 17 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 128 N LEU A 18 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 129 CA LEU A 18 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 130 C LEU A 18 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 131 O LEU A 18 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 132 CB LEU A 18 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 133 CG LEU A 18 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 134 CD1 LEU A 18 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 135 CD2 LEU A 18 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 136 N PRO A 19 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 137 CA PRO A 19 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 138 C PRO A 19 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 139 O PRO A 19 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 140 CB PRO A 19 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 141 CG PRO A 19 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 142 CD PRO A 19 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 143 N GLY A 20 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 144 CA GLY A 20 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 145 C GLY A 20 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 146 O GLY A 20 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 147 N THR A 21 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 148 CA THR A 21 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 149 C THR A 21 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 150 O THR A 21 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 151 CB THR A 21 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 152 OG1 THR A 21 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 153 CG2 THR A 21 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 154 N PRO A 22 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 155 CA PRO A 22 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 156 C PRO A 22 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 157 O PRO A 22 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 158 CB PRO A 22 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 159 CG PRO A 22 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 160 CD PRO A 22 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 161 N GLU A 23 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 162 CA GLU A 23 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 163 C GLU A 23 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 164 O GLU A 23 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 165 CB GLU A 23 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 166 CG GLU A 23 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 167 CD GLU A 23 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 168 OE1 GLU A 23 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 169 OE2 GLU A 23 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 170 N ALA A 24 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 171 CA ALA A 24 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 172 C ALA A 24 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 173 O ALA A 24 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 174 CB ALA A 24 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 175 N ILE A 25 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 176 CA ILE A 25 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 177 C ILE A 25 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 178 O ILE A 25 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 179 CB ILE A 25 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 180 CG1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 181 CG2 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 182 CD1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 183 N CYS A 26 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 184 CA CYS A 26 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 185 C CYS A 26 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 186 O CYS A 26 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 187 CB CYS A 26 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 188 SG CYS A 26 0.000 0.000 0.000 1.00 0.00 S 81: ATOM 189 N ALA A 27 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 190 CA ALA A 27 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 191 C ALA A 27 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 192 O ALA A 27 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 193 CB ALA A 27 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 194 N THR A 28 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 195 CA THR A 28 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 196 C THR A 28 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 197 O THR A 28 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 198 CB THR A 28 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 199 OG1 THR A 28 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 200 CG2 THR A 28 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 201 N TYR A 29 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 202 CA TYR A 29 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 203 C TYR A 29 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 204 O TYR A 29 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 205 CB TYR A 29 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 206 CG TYR A 29 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 207 CD1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 208 CD2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 209 CE1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 210 CE2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 211 CZ TYR A 29 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 212 OH TYR A 29 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 213 N THR A 30 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 214 CA THR A 30 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 215 C THR A 30 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 216 O THR A 30 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 217 CB THR A 30 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 218 OG1 THR A 30 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 219 CG2 THR A 30 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 220 N GLY A 31 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 221 CA GLY A 31 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 222 C GLY A 31 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 223 O GLY A 31 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 224 N CYS A 32 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 225 CA CYS A 32 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 226 C CYS A 32 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 227 O CYS A 32 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 228 CB CYS A 32 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 229 SG CYS A 32 0.000 0.000 0.000 1.00 0.00 S 81: ATOM 230 N ILE A 33 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 231 CA ILE A 33 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 232 C ILE A 33 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 233 O ILE A 33 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 234 CB ILE A 33 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 235 CG1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 236 CG2 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 237 CD1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 238 N ILE A 34 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 239 CA ILE A 34 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 240 C ILE A 34 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 241 O ILE A 34 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 242 CB ILE A 34 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 243 CG1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 244 CG2 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 245 CD1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 246 N ILE A 35 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 247 CA ILE A 35 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 248 C ILE A 35 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 249 O ILE A 35 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 250 CB ILE A 35 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 251 CG1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 252 CG2 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 253 CD1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 254 N PRO A 36 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 255 CA PRO A 36 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 256 C PRO A 36 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 257 O PRO A 36 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 258 CB PRO A 36 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 259 CG PRO A 36 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 260 CD PRO A 36 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 261 N GLY A 37 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 262 CA GLY A 37 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 263 C GLY A 37 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 264 O GLY A 37 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 265 N ALA A 38 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 266 CA ALA A 38 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 267 C ALA A 38 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 268 O ALA A 38 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 269 CB ALA A 38 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 270 N THR A 39 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 271 CA THR A 39 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 272 C THR A 39 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 273 O THR A 39 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 274 CB THR A 39 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 275 OG1 THR A 39 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 276 CG2 THR A 39 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 277 N CYS A 40 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 278 CA CYS A 40 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 279 C CYS A 40 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 280 O CYS A 40 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 281 CB CYS A 40 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 282 SG CYS A 40 0.000 0.000 0.000 1.00 0.00 S 81: ATOM 283 N PRO A 41 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 284 CA PRO A 41 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 285 C PRO A 41 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 286 O PRO A 41 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 287 CB PRO A 41 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 288 CG PRO A 41 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 289 CD PRO A 41 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 290 N GLY A 42 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 291 CA GLY A 42 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 292 C GLY A 42 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 293 O GLY A 42 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 294 N ASP A 43 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 295 CA ASP A 43 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 296 C ASP A 43 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 297 O ASP A 43 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 298 CB ASP A 43 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 299 CG ASP A 43 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 300 OD1 ASP A 43 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 301 OD2 ASP A 43 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 302 N TYR A 44 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 303 CA TYR A 44 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 304 C TYR A 44 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 305 O TYR A 44 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 306 CB TYR A 44 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 307 CG TYR A 44 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 308 CD1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 309 CD2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 310 CE1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 311 CE2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 312 CZ TYR A 44 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 313 OH TYR A 44 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 314 N ALA A 45 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 315 CA ALA A 45 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 316 C ALA A 45 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 317 O ALA A 45 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 318 CB ALA A 45 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 319 N ASN A 46 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 320 CA ASN A 46 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 321 C ASN A 46 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 322 O ASN A 46 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 323 CB ASN A 46 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 324 CG ASN A 46 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 325 OD1 ASN A 46 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 326 ND2 ASN A 46 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 327 OXT ASN A 46 0.000 0.000 0.000 1.00 0.00 O 81: CONECT 1 2 81: CONECT 2 3 5 81: CONECT 3 4 4 8 81: CONECT 5 6 7 81: CONECT 8 9 81: CONECT 9 10 12 81: CONECT 10 11 11 15 81: CONECT 12 13 14 81: CONECT 15 16 81: CONECT 16 17 19 81: CONECT 17 18 18 21 81: CONECT 19 20 81: CONECT 21 22 81: CONECT 22 23 25 81: CONECT 23 24 24 27 81: CONECT 25 26 81: CONECT 27 28 33 81: CONECT 28 29 31 81: CONECT 29 30 30 34 81: CONECT 31 32 81: CONECT 32 33 81: CONECT 34 35 81: CONECT 35 36 38 81: CONECT 36 37 37 40 81: CONECT 38 39 81: CONECT 40 41 81: CONECT 41 42 44 81: CONECT 42 43 43 48 81: CONECT 44 45 46 81: CONECT 46 47 81: CONECT 48 49 81: CONECT 49 50 52 81: CONECT 50 51 51 55 81: CONECT 52 53 54 81: CONECT 55 56 81: CONECT 56 57 59 81: CONECT 57 58 58 60 81: CONECT 60 61 81: CONECT 61 62 64 81: CONECT 62 63 63 71 81: CONECT 64 65 81: CONECT 65 66 81: CONECT 66 67 81: CONECT 67 68 81: CONECT 68 69 69 70 81: CONECT 71 72 81: CONECT 72 73 75 81: CONECT 73 74 74 77 81: CONECT 75 76 81: CONECT 77 78 81: CONECT 78 79 81 81: CONECT 79 80 80 85 81: CONECT 81 82 81: CONECT 82 83 83 84 81: CONECT 85 86 81: CONECT 86 87 89 81: CONECT 87 88 88 96 81: CONECT 89 90 81: CONECT 90 91 91 92 81: CONECT 91 93 81: CONECT 92 94 94 81: CONECT 93 95 95 81: CONECT 94 95 81: CONECT 96 97 81: CONECT 97 98 100 81: CONECT 98 99 99 104 81: CONECT 100 101 81: CONECT 101 102 102 103 81: CONECT 104 105 81: CONECT 105 106 108 81: CONECT 106 107 107 111 81: CONECT 108 109 110 81: CONECT 111 112 81: CONECT 112 113 115 81: CONECT 113 114 114 117 81: CONECT 115 116 81: CONECT 117 118 81: CONECT 118 119 121 81: CONECT 119 120 120 128 81: CONECT 121 122 81: CONECT 122 123 81: CONECT 123 124 81: CONECT 124 125 81: CONECT 125 126 126 127 81: CONECT 128 129 81: CONECT 129 130 132 81: CONECT 130 131 131 136 81: CONECT 132 133 81: CONECT 133 134 135 81: CONECT 136 137 142 81: CONECT 137 138 140 81: CONECT 138 139 139 143 81: CONECT 140 141 81: CONECT 141 142 81: CONECT 143 144 81: CONECT 144 145 81: CONECT 145 146 146 147 81: CONECT 147 148 81: CONECT 148 149 151 81: CONECT 149 150 150 154 81: CONECT 151 152 153 81: CONECT 154 155 160 81: CONECT 155 156 158 81: CONECT 156 157 157 161 81: CONECT 158 159 81: CONECT 159 160 81: CONECT 161 162 81: CONECT 162 163 165 81: CONECT 163 164 164 170 81: CONECT 165 166 81: CONECT 166 167 81: CONECT 167 168 168 169 81: CONECT 170 171 81: CONECT 171 172 174 81: CONECT 172 173 173 175 81: CONECT 175 176 81: CONECT 176 177 179 81: CONECT 177 178 178 183 81: CONECT 179 180 181 81: CONECT 181 182 81: CONECT 183 184 81: CONECT 184 185 187 81: CONECT 185 186 186 189 81: CONECT 187 188 81: CONECT 189 190 81: CONECT 190 191 193 81: CONECT 191 192 192 194 81: CONECT 194 195 81: CONECT 195 196 198 81: CONECT 196 197 197 201 81: CONECT 198 199 200 81: CONECT 201 202 81: CONECT 202 203 205 81: CONECT 203 204 204 213 81: CONECT 205 206 81: CONECT 206 207 208 208 81: CONECT 207 209 209 81: CONECT 208 210 81: CONECT 209 211 81: CONECT 210 211 211 81: CONECT 211 212 81: CONECT 213 214 81: CONECT 214 215 217 81: CONECT 215 216 216 220 81: CONECT 217 218 219 81: CONECT 220 221 81: CONECT 221 222 81: CONECT 222 223 223 224 81: CONECT 224 225 81: CONECT 225 226 228 81: CONECT 226 227 227 230 81: CONECT 228 229 81: CONECT 230 231 81: CONECT 231 232 234 81: CONECT 232 233 233 238 81: CONECT 234 235 236 81: CONECT 236 237 81: CONECT 238 239 81: CONECT 239 240 242 81: CONECT 240 241 241 246 81: CONECT 242 243 244 81: CONECT 244 245 81: CONECT 246 247 81: CONECT 247 248 250 81: CONECT 248 249 249 254 81: CONECT 250 251 252 81: CONECT 252 253 81: CONECT 254 255 260 81: CONECT 255 256 258 81: CONECT 256 257 257 261 81: CONECT 258 259 81: CONECT 259 260 81: CONECT 261 262 81: CONECT 262 263 81: CONECT 263 264 264 265 81: CONECT 265 266 81: CONECT 266 267 269 81: CONECT 267 268 268 270 81: CONECT 270 271 81: CONECT 271 272 274 81: CONECT 272 273 273 277 81: CONECT 274 275 276 81: CONECT 277 278 81: CONECT 278 279 281 81: CONECT 279 280 280 283 81: CONECT 281 282 81: CONECT 283 284 289 81: CONECT 284 285 287 81: CONECT 285 286 286 290 81: CONECT 287 288 81: CONECT 288 289 81: CONECT 290 291 81: CONECT 291 292 81: CONECT 292 293 293 294 81: CONECT 294 295 81: CONECT 295 296 298 81: CONECT 296 297 297 302 81: CONECT 298 299 81: CONECT 299 300 300 301 81: CONECT 302 303 81: CONECT 303 304 306 81: CONECT 304 305 305 314 81: CONECT 306 307 81: CONECT 307 308 309 309 81: CONECT 308 310 310 81: CONECT 309 311 81: CONECT 310 312 81: CONECT 311 312 312 81: CONECT 312 313 81: CONECT 314 315 81: CONECT 315 316 318 81: CONECT 316 317 317 319 81: CONECT 319 320 81: CONECT 320 321 323 81: CONECT 321 322 322 327 81: CONECT 323 324 81: CONECT 324 325 325 326 81: END 81: 81: Sequence: GREG 81: HELM: PEPTIDE1{G.R.E.G}$$$$ 81: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O 81: PDB: 81: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 81: CONECT 1 2 81: CONECT 2 3 81: CONECT 3 4 4 5 81: CONECT 5 6 81: CONECT 6 7 9 81: CONECT 7 8 8 16 81: CONECT 9 10 81: CONECT 10 11 81: CONECT 11 12 81: CONECT 12 13 81: CONECT 13 14 14 15 81: CONECT 16 17 81: CONECT 17 18 20 81: CONECT 18 19 19 25 81: CONECT 20 21 81: CONECT 21 22 81: CONECT 22 23 23 24 81: CONECT 25 26 81: CONECT 26 27 81: CONECT 27 28 28 29 81: END 81: 81: Sequence: CYIQNCPLG 81: HELM: PEPTIDE1{C.Y.I.Q.N.C.P.L.G.[am]}$PEPTIDE1,PEPTIDE1,1:R3-6:R3$$$ 81: 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 81: PDB: 81: ATOM 1 N CYS A 1 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 2 CA CYS A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 3 C CYS A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 4 O CYS A 1 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 5 CB CYS A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 6 SG CYS A 1 0.000 0.000 0.000 1.00 0.00 S 81: ATOM 7 N TYR A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 8 CA TYR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 9 C TYR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 10 O TYR A 2 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 11 CB TYR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 12 CG TYR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 13 CD1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 14 CD2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 15 CE1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 16 CE2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 17 CZ TYR A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 18 OH TYR A 2 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 19 N ILE A 3 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 20 CA ILE A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 21 C ILE A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 22 O ILE A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 23 CB ILE A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 24 CG1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 25 CG2 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 26 CD1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 27 N GLN A 4 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 28 CA GLN A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 29 C GLN A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 30 O GLN A 4 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 31 CB GLN A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 32 CG GLN A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 33 CD GLN A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 34 OE1 GLN A 4 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 35 NE2 GLN A 4 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 36 N ASN A 5 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 37 CA ASN A 5 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 38 C ASN A 5 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 39 O ASN A 5 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 40 CB ASN A 5 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 41 CG ASN A 5 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 42 OD1 ASN A 5 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 43 ND2 ASN A 5 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 44 N CYS A 6 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 45 CA CYS A 6 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 46 C CYS A 6 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 47 O CYS A 6 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 48 CB CYS A 6 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 49 SG CYS A 6 0.000 0.000 0.000 1.00 0.00 S 81: ATOM 50 N PRO A 7 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 51 CA PRO A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 52 C PRO A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 53 O PRO A 7 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 54 CB PRO A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 55 CG PRO A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 56 CD PRO A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 57 N LEU A 8 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 58 CA LEU A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 59 C LEU A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 60 O LEU A 8 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 61 CB LEU A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 62 CG LEU A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 63 CD1 LEU A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 64 CD2 LEU A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 65 N GLY A 9 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 66 CA GLY A 9 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 67 C GLY A 9 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 68 O GLY A 9 0.000 0.000 0.000 1.00 0.00 O 81: HETATM 69 N NH2 A 10 0.000 0.000 0.000 1.00 0.00 N 81: CONECT 1 2 81: CONECT 2 3 5 81: CONECT 3 4 4 7 81: CONECT 5 6 81: CONECT 6 49 81: CONECT 7 8 81: CONECT 8 9 11 81: CONECT 9 10 10 19 81: CONECT 11 12 81: CONECT 12 13 14 14 81: CONECT 13 15 15 81: CONECT 14 16 81: CONECT 15 17 81: CONECT 16 17 17 81: CONECT 17 18 81: CONECT 19 20 81: CONECT 20 21 23 81: CONECT 21 22 22 27 81: CONECT 23 24 25 81: CONECT 25 26 81: CONECT 27 28 81: CONECT 28 29 31 81: CONECT 29 30 30 36 81: CONECT 31 32 81: CONECT 32 33 81: CONECT 33 34 34 35 81: CONECT 36 37 81: CONECT 37 38 40 81: CONECT 38 39 39 44 81: CONECT 40 41 81: CONECT 41 42 42 43 81: CONECT 44 45 81: CONECT 45 46 48 81: CONECT 46 47 47 50 81: CONECT 48 49 81: CONECT 50 51 56 81: CONECT 51 52 54 81: CONECT 52 53 53 57 81: CONECT 54 55 81: CONECT 55 56 81: CONECT 57 58 81: CONECT 58 59 61 81: CONECT 59 60 60 65 81: CONECT 61 62 81: CONECT 62 63 64 81: CONECT 65 66 81: CONECT 66 67 81: CONECT 67 68 68 69 81: END 81: 81: Sequence: LfPVXLfPVX 81: HELM: PEPTIDE1{L.[dF].P.V.[Orn].L.[dF].P.V.[Orn]}$PEPTIDE1,PEPTIDE1,10:R2-1:R1$$$ 81: 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 81: PDB: 81: ATOM 1 N LEU A 1 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 2 CA LEU A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 3 C LEU A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 4 O LEU A 1 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 5 CB LEU A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 6 CG LEU A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 7 CD1 LEU A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 8 CD2 LEU A 1 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 9 N DPN A 2 0.000 0.000 0.000 1.00 0.00 N 81: HETATM 10 CA DPN A 2 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 11 C DPN A 2 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 12 O DPN A 2 0.000 0.000 0.000 1.00 0.00 O 81: HETATM 13 CB DPN A 2 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 14 CG DPN A 2 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 15 CD1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 16 CD2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 17 CE1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 18 CE2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 19 CZ DPN A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 20 N PRO A 3 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 21 CA PRO A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 22 C PRO A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 23 O PRO A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 24 CB PRO A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 25 CG PRO A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 26 CD PRO A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 27 N VAL A 4 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 28 CA VAL A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 29 C VAL A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 30 O VAL A 4 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 31 CB VAL A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 32 CG1 VAL A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 33 CG2 VAL A 4 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 34 N ORN A 5 0.000 0.000 0.000 1.00 0.00 N 81: HETATM 35 CA ORN A 5 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 36 C ORN A 5 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 37 O ORN A 5 0.000 0.000 0.000 1.00 0.00 O 81: HETATM 38 CB ORN A 5 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 39 CG ORN A 5 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 40 CD ORN A 5 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 41 NE ORN A 5 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 42 N LEU A 6 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 43 CA LEU A 6 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 44 C LEU A 6 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 45 O LEU A 6 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 46 CB LEU A 6 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 47 CG LEU A 6 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 48 CD1 LEU A 6 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 49 CD2 LEU A 6 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 50 N DPN A 7 0.000 0.000 0.000 1.00 0.00 N 81: HETATM 51 CA DPN A 7 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 52 C DPN A 7 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 53 O DPN A 7 0.000 0.000 0.000 1.00 0.00 O 81: HETATM 54 CB DPN A 7 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 55 CG DPN A 7 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 56 CD1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 57 CD2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 58 CE1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 59 CE2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 60 CZ DPN A 7 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 61 N PRO A 8 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 62 CA PRO A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 63 C PRO A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 64 O PRO A 8 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 65 CB PRO A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 66 CG PRO A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 67 CD PRO A 8 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 68 N VAL A 9 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 69 CA VAL A 9 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 70 C VAL A 9 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 71 O VAL A 9 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 72 CB VAL A 9 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 73 CG1 VAL A 9 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 74 CG2 VAL A 9 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 75 N ORN A 10 0.000 0.000 0.000 1.00 0.00 N 81: HETATM 76 CA ORN A 10 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 77 C ORN A 10 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 78 O ORN A 10 0.000 0.000 0.000 1.00 0.00 O 81: HETATM 79 CB ORN A 10 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 80 CG ORN A 10 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 81 CD ORN A 10 0.000 0.000 0.000 1.00 0.00 C 81: HETATM 82 NE ORN A 10 0.000 0.000 0.000 1.00 0.00 N 81: CONECT 1 2 77 81: CONECT 2 3 5 81: CONECT 3 4 4 9 81: CONECT 5 6 81: CONECT 6 7 8 81: CONECT 9 10 81: CONECT 10 11 13 81: CONECT 11 12 12 20 81: CONECT 13 14 81: CONECT 14 15 15 16 81: CONECT 15 17 81: CONECT 16 18 18 81: CONECT 17 19 19 81: CONECT 18 19 81: CONECT 20 21 26 81: CONECT 21 22 24 81: CONECT 22 23 23 27 81: CONECT 24 25 81: CONECT 25 26 81: CONECT 27 28 81: CONECT 28 29 31 81: CONECT 29 30 30 34 81: CONECT 31 32 33 81: CONECT 34 35 81: CONECT 35 36 38 81: CONECT 36 37 37 42 81: CONECT 38 39 81: CONECT 39 40 81: CONECT 40 41 81: CONECT 42 43 81: CONECT 43 44 46 81: CONECT 44 45 45 50 81: CONECT 46 47 81: CONECT 47 48 49 81: CONECT 50 51 81: CONECT 51 52 54 81: CONECT 52 53 53 61 81: CONECT 54 55 81: CONECT 55 56 56 57 81: CONECT 56 58 81: CONECT 57 59 59 81: CONECT 58 60 60 81: CONECT 59 60 81: CONECT 61 62 67 81: CONECT 62 63 65 81: CONECT 63 64 64 68 81: CONECT 65 66 81: CONECT 66 67 81: CONECT 68 69 81: CONECT 69 70 72 81: CONECT 70 71 71 75 81: CONECT 72 73 74 81: CONECT 75 76 81: CONECT 76 77 79 81: CONECT 77 78 78 81: CONECT 79 80 81: CONECT 80 81 81: CONECT 81 82 81: END 81: 81: Sequence: GREG 81: HELM: PEPTIDE1{G.R.E.G}$$$$ 81: Smiles: N=C(N)NCCCC(NC(=O)CN)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O 81: PDB: 81: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 23 OD1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 24 OD2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 81: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 81: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 81: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 81: CONECT 1 2 81: CONECT 2 3 81: CONECT 3 4 4 5 81: CONECT 5 6 81: CONECT 6 7 9 81: CONECT 7 8 8 16 81: CONECT 9 10 81: CONECT 10 11 81: CONECT 11 12 81: CONECT 12 13 81: CONECT 13 14 14 15 81: CONECT 16 17 81: CONECT 17 18 20 81: CONECT 18 19 19 25 81: CONECT 20 21 81: CONECT 21 22 81: CONECT 22 23 23 24 81: CONECT 25 26 81: CONECT 26 27 81: CONECT 27 28 28 29 81: END 81: 76/256 Test #81: testSequence ........................... Passed 0.05 sec test 82 Start 82: testExtendedStereoParsing 82: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testExtendedStereoParsing 82: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 82: Test timeout computed to be: 7200 77/256 Test #82: testExtendedStereoParsing .............. Passed 0.02 sec test 83 Start 83: fileParsersCatchTest 83: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 83: Test timeout computed to be: 7200 83: Randomness seeded to: 991050587 83: [07:01:19] SGroup SAP line too short: 'M SAP 1 1 8' on line 29 83: [07:01:19] SGroup SAP line too short: 'M SAP 1 1 8' on line 28 83: [07:01:19] Could not infer missing lvIdx on malformed SAP line for SGroup 1 83: [07:01:19] SGroup 1 is invalid and will be ignored 83: [07:01:19] SGroup SAP line too short: 'M SAP 1 1 8' on line 28 83: [07:01:19] Could not infer missing lvIdx on malformed SAP line for SGroup 1 83: [07:01:19] SGroup 1 is invalid and will be ignored 83: [07:01:19] SGroup SAP line too short: 'M SAP 1 1 8' on line 35 83: [07:01:19] SGroup SAP line too short: 'M SAP 2 1 12' on line 39 83: [07:01:19] SGroup SAP line too short: 'M SAP 1 1 8' on line 34 83: [07:01:19] SGroup SAP line too short: 'M SAP 2 1 12' on line 38 83: [07:01:19] Could not infer missing lvIdx on malformed SAP line for SGroup 1 83: [07:01:19] SGroup 1 is invalid and will be ignored 83: [07:01:19] SGroup SAP line too short: 'M SAP 1 1 8' on line 34 83: [07:01:19] SGroup SAP line too short: 'M SAP 2 1 12' on line 39 83: [07:01:19] Could not infer missing lvIdx on malformed SAP line for SGroup 1 83: [07:01:19] SGroup 1 is invalid and will be ignored 83: [07:01:19] SGroup 3 referenced on line 40 not found. 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: no bonds 83: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp 83: Failed Expression: !d_bonds.empty() 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 4# 0x00000000000E3B9E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# 0x00000000000C6118 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 8# 0x0000000000098428 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 16# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] SGroup 3 referenced on line 40 not found. 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: no bonds 83: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp 83: Failed Expression: !d_bonds.empty() 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 4# 0x00000000000E3B9E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# 0x00000000000984D0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 8# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 15# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 16# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] no bonds 83: [07:01:19] SGroup 1 is invalid and will be ignored 83: [07:01:19] SGroup line too short: 'M SBV 1 6' on line 42 83: [07:01:19] SGroup 1 is invalid and will be ignored 83: [07:01:19] SGroup line too short: 'M SBL 2 3 9 10' on line 46 83: [07:01:19] SGroup 2 is invalid and will be ignored 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_bondBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# 0x00000000000E3A33 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# 0x00000000000C6118 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x0000000000098ECA in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_bondBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# 0x00000000000E3A33 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# 0x0000000000098F72 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 16# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] bookmark not found 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bond is not part of the SubstanceGroup 83: Violation occurred on line 200 in file ./Code/GraphMol/SubstanceGroup.cpp 83: Failed Expression: std::find(d_bonds.begin(), d_bonds.end(), bondIdx) != d_bonds.end() 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::SubstanceGroup::getBondType(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# 0x00000000000E3B9E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# 0x0000000000098F72 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 16# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] bond is not part of the SubstanceGroup 83: [07:01:19] SGroup 2 is invalid and will be ignored 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_atomBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# 0x00000000000E3A33 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# 0x00000000000C6118 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x0000000000099246 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_atomBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# 0x00000000000E3A33 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# 0x00000000000992EE in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 16# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] bookmark not found 83: [07:01:19] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup. 83: [07:01:19] SGroup 2 is invalid and will be ignored 83: [07:01:19] WARNING: final character of V3000 array is not ')' 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_bondBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x0000000000096E32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] WARNING: final character of V3000 array is not ')' 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_bondBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x0000000000096ED1 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] bookmark not found 83: [07:01:19] SGroup 1 is invalid and will be ignored 83: [07:01:19] WARNING: final character of V3000 array is not ')' 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_atomBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x00000000000C6118 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x0000000000097193 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 17# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 19# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] WARNING: final character of V3000 array is not ')' 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_atomBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x000000000009722B in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] bookmark not found 83: [07:01:19] SGroup 1 is invalid and will be ignored 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_bondBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x00000000000C6118 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x00000000000974E3 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 17# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 19# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 260 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_bondBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x000000000009757C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] bookmark not found 83: [07:01:19] SGroup 2 is invalid and will be ignored 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_atomBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x00000000000C6118 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x0000000000097831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 17# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 19# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: bookmark not found 83: Violation occurred on line 238 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: (lu != d_atomBookmarks.end()) 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int&, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x00000000000978CB in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] bookmark not found 83: [07:01:19] SGroup 2 is invalid and will be ignored 83: [07:01:19] Explicit valence for atom # 2 O, 3, is greater than permitted 83: [07:01:19] Explicit valence for atom # 1 O, 3, is greater than permitted 83: [07:01:19] Explicit valence for atom # 1 C, 5, is greater than permitted 83: [07:01:19] sanitize [07:01:19] UNK: [07:01:19] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 83: [07:01:19] skipping block at line 7: 'BEGIN ATOM' 83: ATOM 1 CHLO CHL 0 0.000 0.000 0.000 1.00 0.00 CL 83: END 83: 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: no stream 83: Violation occurred on line 171 in file ./Code/GraphMol/FileParsers/SDMolSupplier.cpp 83: Failed Expression: dp_inStream 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::v2::FileParsers::SDMolSupplier::next() in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 3# 0x00000000000C7275 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 4# 0x000000000008D295 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 5# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 6# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 7# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 8# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 13# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: no stream 83: Violation occurred on line 186 in file ./Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp 83: Failed Expression: dp_inStream 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::v2::FileParsers::ForwardSDMolSupplier::next() in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 3# 0x00000000000C7275 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 4# 0x000000000008D480 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 5# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 6# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 7# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 8# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 13# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: no stream 83: Violation occurred on line 411 in file ./Code/GraphMol/FileParsers/SmilesMolSupplier.cpp 83: Failed Expression: dp_inStream 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::v2::FileParsers::SmilesMolSupplier::next() in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 3# 0x00000000000C7275 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 4# 0x000000000008DF1B in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 5# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 6# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 7# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 8# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 13# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: no stream 83: Violation occurred on line 268 in file ./Code/GraphMol/FileParsers/TDTMolSupplier.cpp 83: Failed Expression: dp_inStream 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::v2::FileParsers::TDTMolSupplier::next() in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 3# 0x00000000000C7275 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 4# 0x000000000008D928 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 5# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 6# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 7# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 8# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 13# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: no stream 83: Violation occurred on line 595 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 83: Failed Expression: dp_sInStream != nullptr 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 3# 0x00000000000C7275 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 4# 0x000000000008DB87 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 5# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 6# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 7# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 8# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 13# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] Found a SCD/SED line with missing/empty SDT specification at line 21 83: [07:01:19] Found a SCD/SED line with missing/empty SDT specification at line 20 83: [07:01:19] BEGIN SGROUP line not found on line 14 83: [07:01:19] Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped. 83: [07:01:19] END SGROUP line not found on line 19 83: [07:01:19] END SGROUP line not found on line 21 83: [07:01:19] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring. 83: [07:01:19] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring. 83: [07:01:19] 83: 83: **** 83: Range Error 83: idx 83: Violation occurred on line 322 in file ./Code/GraphMol/ROMol.cpp 83: Failed Expression: 99 < 9 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 83: 3# 0x00000000000F1B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 4# RDKit::FileParserUtils::finishMolProcessing(RDKit::RWMol*, bool, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# 0x00000000000C758D in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 8# 0x0000000000088AD6 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 16# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring. 83: [07:01:19] Multiple ATTCHPT values for atom 2 on line 9 83: [07:01:19] Found a SCD/SED line with missing/empty SDT specification at line 12 83: [07:01:19] SMARTS Parse Error: syntax error while parsing: [#6;R 83: [07:01:19] SMARTS Parse Error: check for mistakes around position 5: 83: [07:01:19] [#6;R 83: [07:01:19] ~~~~^ 83: [07:01:19] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R' 83: [07:01:19] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it. 83: [07:01:19] Skipping empty SMARTS value for SMARTSQ. 83: [07:01:19] unrecognized QUERYOP '>' for SMARTSQ. Query ignored. 83: [07:01:19] Found a SCD/SED line with missing/empty SDT specification at line 12 83: [07:01:19] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 83: [07:01:19] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 83: [07:01:19] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 83: [07:01:19] WARNING: Skipping property bar because the value includes an illegal blank line 83: [07:01:19] WARNING: Skipping property baz because the value includes an illegal blank line 83: [07:01:19] WARNING: Skipping property bletch 83: nope because the name includes a newline 83: [07:01:19] WARNING: Skipping property bletch 83: nope2 because the name includes a newline 83: [07:01:19] 83: 83: **** 83: Post-condition Violation 83: Element 'QQQ' not found 83: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 83: Failed Expression: anum > -1 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 3# 0x00000000000D75F1 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 4# 0x00000000000E8291 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# 0x00000000000EA0F6 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x000000000006239F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] 83: 83: **** 83: Post-condition Violation 83: Element 'QQQ' not found 83: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 83: Failed Expression: anum > -1 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 3# 0x00000000000D75F1 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 4# 0x00000000000E8291 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# 0x00000000000EA0F6 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x0000000000061C77 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] 83: 83: **** 83: Post-condition Violation 83: Element 'QQQ' not found 83: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 83: Failed Expression: anum > -1 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 3# 0x00000000000D75F1 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 4# 0x00000000000E5E48 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# 0x00000000000E60C9 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x0000000000062347 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] 83: 83: **** 83: Post-condition Violation 83: Element 'QQQ' not found 83: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 83: Failed Expression: anum > -1 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 3# 0x00000000000D75F1 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 4# 0x00000000000E5E48 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 5# 0x00000000000E60C9 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 9# 0x000000000006204F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 12# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 13# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 14# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 15# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 16# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 17# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 18# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] atom 3 has a negative isotope value. line: 15 83: [07:01:19] Ignoring invalid chirality label: '2_bad_chirality' 83: [07:01:19] 83: 83: **** 83: Pre-condition Violation 83: no input stream 83: Violation occurred on line 562 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 83: Failed Expression: dp_sInStream 83: ---------- 83: Stacktrace: 83: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 83: 2# RDKit::v2::FileParsers::MaeMolSupplier::init() in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 3# RDKit::v2::FileParsers::MaeMolSupplier::reset() in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1 83: 4# 0x00000000000A754D in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 5# 0x000000000010E2BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 6# 0x000000000010F8B2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 7# 0x000000000010FD1A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 8# 0x00000000000E2171 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 9# 0x00000000000E246C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 10# 0x000000000005292E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 83: 13# 0x0000000000052971 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 83: ---------- 83: **** 83: 83: [07:01:19] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 83: [07:01:19] 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.[07:01:19] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 83: [07:01:19] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 83: [07:01:19] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 83: [07:01:19] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 83: [07:01:19] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 52: Randomness seeded to: 143635775 52: [07:01:22] Conflicting single bond directions around double bond at index 8. 52: [07:01:22] BondStereo set to STEREONONE and single bond directions set to NONE. 52: =============================================================================== 52: All tests passed (12855 assertions in 17 test cases) 52: 78/256 Test #52: canonTestsCatch ........................ Passed 10.21 sec test 84 Start 84: macromolsCatchTest 84: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/macromolsCatchTest 84: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 84: Test timeout computed to be: 7200 77: [07:01:22] Finished: testSmiCorrectness() 77: [07:01:22] ----------------------------------------- 77: 77: [07:01:22] 77: ----------------------------------------- 77: [07:01:22] Property will be truncated after the first blank line 77: [07:01:22] Property will be truncated after the first blank line 77: [07:01:22] Spurious data before the first property will be ignored 77: [07:01:22] Property will be truncated after the first blank line 77: [07:01:23] Finished: testSDCorrectness() 77: [07:01:23] ----------------------------------------- 77: 77: [07:01:23] 77: ----------------------------------------- 77: [07:01:23] Finished: testThrowSDF() 77: [07:01:23] ----------------------------------------- 77: 77: [07:01:23] 77: ----------------------------------------- 77: [07:01:23] Finished: testThrowSmiles() 77: [07:01:23] ----------------------------------------- 77: 79/256 Test #77: testMultithreadedMolSupplier ........... Passed 5.14 sec test 85 Start 85: testPropertyLists 85: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testPropertyLists 85: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 85: Test timeout computed to be: 7200 85: Randomness seeded to: 576226782 85: [07:01:23] Property list atom.iprop.TooLong has incompatible size, 5 elements found; expecting 3. Ignoring it. 85: =============================================================================== 85: All tests passed (115 assertions in 4 test cases) 85: 80/256 Test #85: testPropertyLists ...................... Passed 0.03 sec test 86 Start 86: XYZFileParserCatchTest 86: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest 86: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 86: Test timeout computed to be: 7200 86: Randomness seeded to: 857001945 86: =============================================================================== 86: All tests passed (100 assertions in 2 test cases) 86: 81/256 Test #86: XYZFileParserCatchTest ................. Passed 0.03 sec test 87 Start 87: cdxmlParserCatchTest 87: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest 87: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 87: Test timeout computed to be: 7200 87: Randomness seeded to: 3108932157 87: [07:01:23] Invalid or missing fragment id from CDXML fragment, assigning new one... 87: [07:01:23] Explicit valence for atom # 3 N, 4, is greater than permitted 87: [07:01:23] CDXMLParser: failed sanitizing skipping fragment 32 87: [07:01:23] Bad bond in CDXML skipping fragment 58... 87: [07:01:23] Invalid or missing fragment id from CDXML fragment, assigning new one... 87: [07:01:23] Bad bond in CDXML skipping fragment 58... 87: [07:01:23] WARNING: not removing hydrogen atom without neighbors 87: [07:01:23] WARNING: not removing hydrogen atom without neighbors 87: [07:01:23] WARNING: not removing hydrogen atom without neighbors 87: [07:01:23] WARNING: not removing hydrogen atom without neighbors 87: [07:01:23] WARNING: not removing hydrogen atom without neighbors 87: [07:01:23] WARNING: not removing hydrogen atom without neighbors 87: [07:01:23] WARNING: not removing hydrogen atom without neighbors 87: [07:01:23] WARNING: not removing hydrogen atom without neighbors 87: [07:01:23] WARNING: not removing hydrogen atom without neighbors 87: [07:01:23] WARNING: not removing hydrogen atom without neighbors 87: [07:01:23] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents reaction fragment 64603 not found in document. 87: [07:01:23] Incomplete atom labelling, cannot make bond 87: [07:01:23] Incomplete atom labelling, cannot make bond 87: [07:01:23] Incomplete atom labelling, cannot make bond 87: [07:01:23] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas 87: [07:01:23] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas 87: [07:01:23] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast 87: [07:01:23] Failed to parse XML fragment 5 node: b attribute: Order: 5 87: [07:01:23] Invalid or missing fragment id from CDXML fragment, assigning new one... 87: =============================================================================== 87: All tests passed (264 assertions in 7 test cases) 87: 82/256 Test #87: cdxmlParserCatchTest ................... Passed 0.16 sec test 88 Start 88: molfileStereoCatchTest 88: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest 88: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 88: Test timeout computed to be: 7200 88: Randomness seeded to: 4104008285 88: [07:01:23] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 88: [07:01:23] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 88: [07:01:23] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 88: [07:01:23] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 88: =============================================================================== 88: All tests passed (187 assertions in 8 test cases) 88: 83/256 Test #88: molfileStereoCatchTest ................. Passed 0.04 sec test 89 Start 89: connectTheDotsTest 89: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest 89: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 89: Test timeout computed to be: 7200 89: Randomness seeded to: 3783786121 89: [07:01:23] WARNING: not removing hydrogen atom without neighbors 89: [07:01:23] WARNING: not removing hydrogen atom without neighbors 89: [07:01:23] WARNING: not removing hydrogen atom without neighbors 89: [07:01:23] WARNING: not removing hydrogen atom without neighbors 89: =============================================================================== 89: All tests passed (18 assertions in 2 test cases) 89: 84/256 Test #89: connectTheDotsTest ..................... Passed 0.03 sec test 90 Start 90: v2MolSuppliers 90: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/v2MolSuppliers 90: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 90: Test timeout computed to be: 7200 90: Randomness seeded to: 2169052734 90: [07:01:23] Ignoring invalid chirality label: '12_R_1_3_4_5' 90: [07:01:23] Ignoring invalid chirality label: '12_ANR_1_3_4_15' 90: [07:01:23] Ignoring invalid chirality label: '2_S_1_3_4' 90: [07:01:23] Ignoring invalid chirality label: '2_ANS_1_3_4_5_2' 90: =============================================================================== 90: All tests passed (24 assertions in 6 test cases) 90: 85/256 Test #90: v2MolSuppliers ......................... Passed 0.04 sec test 91 Start 91: v2FileParsersCatchTest 91: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/v2FileParsersCatchTest 91: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 91: Test timeout computed to be: 7200 91: Randomness seeded to: 2452962652 91: =============================================================================== 91: All tests passed (9 assertions in 2 test cases) 91: 86/256 Test #91: v2FileParsersCatchTest ................. Passed 0.03 sec test 92 Start 92: atropisomersCatch 92: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/atropisomersCatch 92: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 92: Test timeout computed to be: 7200 92: Randomness seeded to: 1308786300 92: [07:01:23] The 2 defining bonds for an atropisomer are co-planar - atoms are: 3 5 92: [07:01:23] The 2 defining bonds for an atropisomer are co-planar - atoms are: 3 5 92: =============================================================================== 92: All tests passed (88 assertions in 3 test cases) 92: 87/256 Test #92: atropisomersCatch ...................... Passed 0.03 sec test 93 Start 93: fileParsersIteratorsTest 93: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersIteratorsTest 93: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 93: Test timeout computed to be: 7200 93: Randomness seeded to: 4051855549 93: [07:01:23] Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] ERROR: Could not sanitize molecule ending on line 36 93: [07:01:23] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] ERROR: Could not sanitize molecule ending on line 36 93: [07:01:23] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] ERROR: Could not sanitize molecule ending on line 36 93: [07:01:23] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] ERROR: Could not sanitize molecule ending on line 36 93: [07:01:23] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] ERROR: Bond line too short: 'M END' on line 76 93: [07:01:23] ERROR: moving to the beginning of the next molecule 93: [07:01:23] Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] ERROR: Could not sanitize molecule ending on line 36 93: [07:01:23] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] ERROR: Bond line too short: 'M END' on line 76 93: [07:01:23] ERROR: moving to the beginning of the next molecule 93: [07:01:23] Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] ERROR: Could not sanitize molecule ending on line 36 93: [07:01:23] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] ERROR: Bond line too short: 'M END' on line 76 93: [07:01:23] ERROR: moving to the beginning of the next molecule 93: [07:01:23] Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] ERROR: Could not sanitize molecule ending on line 36 93: [07:01:23] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 93: [07:01:23] ERROR: Bond line too short: 'M END' on line 76 93: [07:01:23] ERROR: moving to the beginning of the next molecule 93: [07:01:23] Explicit valence for atom # 1 F, 2, is greater than permitted 93: [07:01:23] ERROR: Could not sanitize molecule on line 2 93: [07:01:23] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 93: [07:01:23] Can't kekulize mol. Unkekulized atoms: 0 1 2 93: [07:01:23] Can't kekulize mol. Unkekulized atoms: 0 1 2 93: [07:01:23] ERROR: Could not sanitize molecule on line 4 93: [07:01:23] ERROR: Can't kekulize mol. Unkekulized atoms: 0 1 2 93: [07:01:23] SMILES Parse Error: unclosed ring for input: 'c1cc' 93: [07:01:23] ERROR: Smiles parse error on line 5 93: [07:01:23] ERROR: Cannot create molecule from : 'c1cc' 84: Randomness seeded to: 3732344692 84: [07:01:25] 3D constraint information in mol block ignored at line 46 84: [07:01:25] 3D constraint information in mol block ignored at line 46 84: [07:01:25] 3D constraint information in mol block ignored at line 58 84: [07:01:25] 3D constraint information in mol block ignored at line 58 84: [07:01:25] 3D constraint information in mol block ignored at line 46 84: =============================================================================== 84: All tests passed (381 assertions in 3 test cases) 84: 88/256 Test #84: macromolsCatchTest ..................... Passed 3.43 sec test 94 Start 94: multithreadedSupplierCatchTest 94: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/multithreadedSupplierCatchTest 94: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers 94: Test timeout computed to be: 7200 94: Randomness seeded to: 423202153 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:25] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that. 94: [07:01:26] Explicit valence for atom # 9 N, 5, is greater than permitted 93: Read of 500x20 molecules took 2254 ms 94: [07:01:26] Explicit valence for atom # 3 Al, 6, is greater than permitted 94: [07:01:26] Explicit valence for atom # 4 Al, 6, is greater than permitted 94: [07:01:26] Explicit valence for atom # 10 Si, 6, is greater than permitted 83: [07:01:26] Seen a second ABS stereo group on line 26 83: 83: [07:01:26] Atom 4 appears more than once in stereo group specification on line 27! 83: =============================================================================== 83: All tests passed (1700 assertions in 106 test cases) 83: 89/256 Test #83: fileParsersCatchTest ................... Passed 6.69 sec test 95 Start 95: testSubstructMatch 95: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct 95: Test timeout computed to be: 7200 94: [07:01:26] Explicit valence for atom # 2 O, 4, is greater than permitted 94: [07:01:26] Explicit valence for atom # 3 Al, 6, is greater than permitted 94: [07:01:26] Explicit valence for atom # 3 Be, 4, is greater than permitted 94: [07:01:26] Explicit valence for atom # 27 P, 6, is greater than permitted 94: [07:01:26] Explicit valence for atom # 9 N, 5, is greater than permitted 95: Randomness seeded to: 763018798 95: [07:01:26] 95: 95: **** 95: Pre-condition Violation 95: matches must not be empty 95: Violation occurred on line 42 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp 95: Failed Expression: !matches.empty() 95: ---------- 95: Stacktrace: 95: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 95: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 95: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 3# RDKit::getMostSubstitutedCoreMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 4# 0x000000000005451E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 5# 0x00000000000915BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 6# 0x0000000000092BB2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 7# 0x000000000009301A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 8# 0x0000000000065471 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 9# 0x000000000006576C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 10# 0x00000000000357BE in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 95: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 95: 13# 0x0000000000035801 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: ---------- 95: **** 95: 95: [07:01:26] 95: 95: **** 95: Pre-condition Violation 95: matches must not be empty 95: Violation occurred on line 42 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp 95: Failed Expression: !matches.empty() 95: ---------- 95: Stacktrace: 95: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 95: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 95: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 3# RDKit::sortMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 4# 0x00000000000545F2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 5# 0x00000000000915BC in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 6# 0x0000000000092BB2 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 7# 0x000000000009301A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 8# 0x0000000000065471 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 9# 0x000000000006576C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 10# 0x00000000000357BE in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 95: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 95: 13# 0x0000000000035801 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 95: ---------- 95: **** 95: 95: =============================================================================== 95: All tests passed (90249 assertions in 25 test cases) 95: 94: [07:01:26] Explicit valence for atom # 3 Al, 6, is greater than permitted 90/256 Test #95: testSubstructMatch ..................... Passed 0.43 sec test 96 Start 96: substructTestCatch 96: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch 96: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Substruct 96: Test timeout computed to be: 7200 94: [07:01:26] Explicit valence for atom # 4 Al, 6, is greater than permitted 94: [07:01:26] Explicit valence for atom # 10 Si, 6, is greater than permitted 94: [07:01:26] Explicit valence for atom # 2 O, 4, is greater than permitted 94: [07:01:26] Explicit valence for atom # 3 Al, 6, is greater than permitted 94: [07:01:26] Explicit valence for atom # 3 Be, 4, is greater than permitted 94: [07:01:26] Explicit valence for atom # 27 P, 6, is greater than permitted 94: =============================================================================== 94: All tests passed (21562 assertions in 3 test cases) 94: 91/256 Test #94: multithreadedSupplierCatchTest ......... Passed 1.14 sec test 97 Start 97: testGenericGroups 97: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups 97: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups 97: Test timeout computed to be: 7200 96: Randomness seeded to: 3219356895 96: [07:01:27] Substructure search was interrupted, result may not include all matches 96: =============================================================================== 96: All tests passed (308 assertions in 16 test cases) 96: 92/256 Test #96: substructTestCatch ..................... Passed 0.41 sec test 98 Start 98: testReaction 98: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReaction 98: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions 98: Test timeout computed to be: 7200 97: Randomness seeded to: 665602971 97: =============================================================================== 97: All tests passed (11480 assertions in 38 test cases) 97: 93/256 Test #97: testGenericGroups ...................... Passed 0.29 sec test 99 Start 99: testReactionFingerprints 99: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints 99: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions 99: Test timeout computed to be: 7200 98: smi: O=C1CNC(=O)CN1 98: 1: O=C1CNC(=O)CN1 98: 2: COOC 98: [07:01:27] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5] 98: [07:01:27] SMARTS Parse Error: check for mistakes around position 2: 98: [07:01:27] [Q:1][C:2][C:3](=[O:4])[O:5] 98: [07:01:27] ~^ 98: [07:01:27] 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]' 98: O=C1CNC(=O)CN1 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] mapped atoms in the reactants were not mapped in the products. 98: unmapped numbers are: 4 98: [07:01:27] atom 0 in product 0 has multiple charge specifications. 98: mass: 15.0001 98: Oc1ccccn1 98: Oc1ccc[nH]1 98: [07:01:27] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2] 98: [07:01:27] SMARTS Parse Error: check for mistakes around position 1: 98: [07:01:27] ([C:1](=O)O.[C:2] 98: [07:01:27] ^ 99: [07:01:27] ------------------------------------- 99: [07:01:27] Test Reaction StructuralFingerprint 98: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]' 98: [07:01:27] SMARTS Parse Error: syntax error while parsing: ([C:2] 98: [07:01:27] SMARTS Parse Error: check for mistakes around position 1: 98: [07:01:27] ([C:2] 98: [07:01:27] ^ 98: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]' 98: [07:01:27] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2] 98: [07:01:27] SMARTS Parse Error: check for mistakes around position 11: 98: [07:01:27] [C:1](=O)O).[C:2] 98: [07:01:27] ~~~~~~~~~~^ 98: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]' 98: [07:01:27] SMARTS Parse Error: syntax error while parsing: [C:2]) 98: [07:01:27] SMARTS Parse Error: check for mistakes around position 6: 98: [07:01:27] [C:2]) 98: [07:01:27] ~~~~~^ 98: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])' 98: [07:01:27] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5] 98: [07:01:27] SMILES Parse Error: check for mistakes around position 2: 98: [07:01:27] [Q:1][C:2][C:3](=[O:4])[O:5] 98: [07:01:27] ~^ 98: [07:01:27] 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]' 98: [07:01:27] reactant 2 has no mapped atoms. 98: [07:01:27] >> Atoms within one molecule have different RXN roles. 98: [07:01:27] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role. 98: [07:01:27] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2] 98: [07:01:27] SMARTS Parse Error: check for mistakes around position 1: 98: [07:01:27] ([C:1][C:2] 98: [07:01:27] ^ 98: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]' 98: [07:01:27] SMARTS Parse Error: syntax error while parsing: ([C:2] 98: [07:01:27] SMARTS Parse Error: check for mistakes around position 1: 98: [07:01:27] ([C:2] 98: [07:01:27] ^ 98: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]' 98: [07:01:27] SMARTS Parse Error: syntax error while parsing: [C:1][C:2]) 98: [07:01:27] SMARTS Parse Error: check for mistakes around position 11: 98: [07:01:27] [C:1][C:2]) 98: [07:01:27] ~~~~~~~~~~^ 98: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])' 98: [07:01:27] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2] 98: [07:01:27] SMARTS Parse Error: check for mistakes around position 6: 98: [07:01:27] [C:1]).[C:2] 98: [07:01:27] ~~~~~^ 98: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]' 98: [07:01:27] reactant 0 has no mapped atoms. 98: [07:01:27] reactant 1 has no mapped atoms. 98: [07:01:27] reactant 3 has no mapped atoms. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: [07:01:27] product atom-mapping number 5 found multiple times. 98: [07:01:27] product atom-mapping number 6 found multiple times. 98: [07:01:27] product atom-mapping number 7 found multiple times. 98: [07:01:27] product atom-mapping number 8 found multiple times. 98: [07:01:27] product atom-mapping number 12 found multiple times. 98: [07:01:27] product atom-mapping number 9 found multiple times. 98: [07:01:27] product atom-mapping number 10 found multiple times. 98: [07:01:27] product atom-mapping number 11 found multiple times. 98: [07:01:27] reactant 0 has no mapped atoms. 98: [07:01:27] reactant 1 has no mapped atoms. 98: [07:01:27] reactant 3 has no mapped atoms. 98: [07:01:27] reactant atom-mapping number 19 found multiple times. 98: [07:01:27] reactant atom-mapping number 25 found multiple times. 98: [07:01:27] reactant atom-mapping number 20 found multiple times. 98: [07:01:27] reactant atom-mapping number 21 found multiple times. 98: [07:01:27] reactant atom-mapping number 22 found multiple times. 98: [07:01:27] reactant atom-mapping number 23 found multiple times. 98: [07:01:27] reactant atom-mapping number 24 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br 98: [07:01:27] product atom-mapping number 5 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: [07:01:27] product atom-mapping number 5 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 98: [07:01:27] product atom-mapping number 5 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: [07:01:27] product atom-mapping number 5 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: F[C@@](Cl)(Br)O[C@](F)(Cl)Br 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: F[C@](Cl)(Br)O[C@](F)(Cl)Br 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 4 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] mapped atoms in the reactants were not mapped in the products. 98: unmapped numbers are: 4 98: [07:01:27] product atom-mapping number 3 found multiple times. 98: [07:01:27] product atom-mapping number 2 found multiple times. 98: [07:01:27] product atom-mapping number 1 found multiple times. 98: [07:01:27] mapped atoms in the reactants were not mapped in the products. 98: unmapped numbers are: 4 98: [07:01:27] product atom-mapping number 6 not found in reactants. 98: [07:01:27] product atom-mapping number 7 not found in reactants. 98: [07:01:27] product atom-mapping number 8 not found in reactants. 99: [07:01:27] ------------------------------------- 99: [07:01:27] Test Reaction DifferenceFingerprint 94/256 Test #99: testReactionFingerprints ............... Passed 0.05 sec 98: [07:01:27] product atom-mapping number 7 not found in reactants. 98: [07:01:27] product atom-mapping number 8 not found in reactants. 98: [07:01:27] product atom-mapping number 9 not found in reactants. 98: [07:01:27] product atom-mapping number 10 not found in reactants. 98: [07:01:27] mapped atoms in the reactants were not mapped in the products. 98: unmapped numbers are: 6 test 100 Start 100: testEnumeration 100: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration 100: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions 100: Test timeout computed to be: 7200 98: [07:01:27] product atom-mapping number 7 not found in reactants. 98: [07:01:27] product atom-mapping number 8 not found in reactants. 98: [07:01:27] product atom-mapping number 9 not found in reactants. 98: [07:01:27] product atom-mapping number 10 not found in reactants. 98: [07:01:27] mapped atoms in the reactants were not mapped in the products. 98: unmapped numbers are: 6 98: 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] 98: 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] 98: [07:01:27] mapped atoms in the reactants were not mapped in the products. 98: unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 98: [07:01:27] product atom-mapping number 17 not found in reactants. 98: [07:01:27] product atom-mapping number 18 not found in reactants. 98: [07:01:27] mapped atoms in the reactants were not mapped in the products. 98: unmapped numbers are: 12 98: [07:01:27] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs) 98: [07:01:27] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs) 98: 98: [07:01:27] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels 100: 30000000 30000000 98: ------------- 98: CCOc1ccccc1 98: [07:01:27] reactant 0 has no mapped atoms. 98: [07:01:27] product 0 has no mapped atoms. 98: [07:01:27] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product. 95/256 Test #98: testReaction ........................... Passed 0.30 sec test 101 Start 101: rxnTestCatch 101: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch 101: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions 101: Test timeout computed to be: 7200 101: Randomness seeded to: 3471285240 101: [07:01:27] atom 0 in product 0 has multiple charge specifications. 101: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 34 101: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 36 101: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 38 101: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 40 101: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 42 101: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 87 101: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 89 101: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 91 101: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 93 101: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 95 101: [07:01:27] mapped atoms in the reactants were not mapped in the products. 101: unmapped numbers are: 2 101: [07:01:27] mapped atoms in the reactants were not mapped in the products. 101: unmapped numbers are: 2 101: [07:01:27] SMARTS Parse Error: unclosed ring for input: 'CC1' 101: [07:01:27] SMILES Parse Error: unclosed ring for input: 'CC1' 101: [07:01:27] mapped atoms in the reactants were not mapped in the products. 101: unmapped numbers are: 2 101: [07:01:27] product atom-mapping number 2 not found in reactants. 101: [07:01:27] mapped atoms in the reactants were not mapped in the products. 101: unmapped numbers are: 2 101: [07:01:27] product atom-mapping number 2 not found in reactants. 101: [07:01:27] CX Extensions: Substance group hierarchy is not always preserved. 101: [07:01:27] CX Extensions: Substance group hierarchy is not always preserved. 93: Read of 500x20 molecules took 1293 ms 101: [07:01:27] reactant 0 has no mapped atoms. 101: [07:01:27] product 0 has no mapped atoms. 101: [07:01:27] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 101: [07:01:27] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 101: [07:01:27] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 101: [07:01:27] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 101: [07:01:27] Explicit valence for atom # 1 O, 5, is greater than permitted 101: =============================================================================== 101: All tests passed (722 assertions in 30 test cases) 101: 96/256 Test #101: rxnTestCatch ........................... Passed 0.07 sec test 102 Start 102: pyChemReactions 102: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py" 102: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap 102: Test timeout computed to be: 7200 102: ...[07:01:27] 102: 102: **** 102: Pre-condition Violation 102: RingInfo not initialized 102: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp 102: Failed Expression: df_init 102: ---------- 102: Stacktrace: 102: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 102: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 102: 2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 102: 3# 0x00000000000EE980 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 102: 4# Queries::EqualityQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 102: 5# Queries::AndQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 102: 6# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 7# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 16# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 17# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1 102: 19# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector, std::allocator > > const&, unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1 102: 20# RDKit::ChemicalReaction::runReactants(std::vector, std::allocator > >, unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1 102: 21# _object* RDKit::RunReactants(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 102: 22# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 102: 23# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 102: 24# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 102: 25# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 35# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 36# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 37# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 38# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 39# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 102: 44# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 102: 45# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 102: 46# _PyObject_MakeTpCall in /usr/bin/python3 102: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 48# 0x0000000000186F24 in /usr/bin/python3 102: 49# 0x00000000001E4E20 in /usr/bin/python3 102: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 51# 0x000000000012F92A in /usr/bin/python3 102: 52# 0x0000000000226ECB in /usr/bin/python3 102: 53# _PyObject_MakeTpCall in /usr/bin/python3 102: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 55# 0x0000000000186F24 in /usr/bin/python3 102: 56# 0x00000000001E4E20 in /usr/bin/python3 102: 57# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 58# 0x000000000012F92A in /usr/bin/python3 102: 59# 0x0000000000226ECB in /usr/bin/python3 102: 60# _PyObject_MakeTpCall in /usr/bin/python3 102: 61# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 62# 0x0000000000186F24 in /usr/bin/python3 102: 63# 0x00000000001E4E20 in /usr/bin/python3 102: 64# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 65# 0x000000000012F92A in /usr/bin/python3 102: 66# 0x0000000000226ECB in /usr/bin/python3 102: 67# _PyObject_MakeTpCall in /usr/bin/python3 102: 68# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 69# 0x0000000000186F24 in /usr/bin/python3 102: 70# 0x000000000012F99E in /usr/bin/python3 102: 71# 0x000000000018FD4C in /usr/bin/python3 102: 72# _PyObject_MakeTpCall in /usr/bin/python3 102: 73# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 74# PyEval_EvalCode in /usr/bin/python3 102: 75# 0x00000000002BCB1F in /usr/bin/python3 102: 76# 0x00000000002B8C80 in /usr/bin/python3 102: 77# 0x00000000002B874E in /usr/bin/python3 102: 78# 0x00000000002B80C2 in /usr/bin/python3 102: 79# Py_RunMain in /usr/bin/python3 102: 80# Py_BytesMain in /usr/bin/python3 102: 81# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 102: 82# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 102: 83# _start in /usr/bin/python3 102: ---------- 102: **** 102: 102: [07:01:27] 102: 102: **** 102: Pre-condition Violation 102: RingInfo not initialized 102: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp 102: Failed Expression: df_init 102: ---------- 102: Stacktrace: 102: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 102: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 102: 2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 102: 3# 0x00000000000EE980 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 102: 4# Queries::EqualityQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 102: 5# Queries::AndQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 102: 6# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 7# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 16# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 102: 17# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1 102: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1 102: 19# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector, std::allocator > > const&, unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1 102: 20# RDKit::ChemicalReaction::runReactants(std::vector, std::allocator > >, unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1 102: 21# _object* RDKit::RunReactants(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 102: 22# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 102: 23# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 102: 24# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 102: 25# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 35# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 36# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 37# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 38# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 39# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 102: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 102: 44# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 102: 45# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 102: 46# _PyObject_MakeTpCall in /usr/bin/python3 102: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 48# 0x0000000000186F24 in /usr/bin/python3 102: 49# 0x00000000001E4E20 in /usr/bin/python3 102: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 51# 0x000000000012F92A in /usr/bin/python3 102: 52# 0x0000000000226ECB in /usr/bin/python3 102: 53# _PyObject_MakeTpCall in /usr/bin/python3 102: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 55# 0x0000000000186F24 in /usr/bin/python3 102: 56# 0x00000000001E4E20 in /usr/bin/python3 102: 57# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 58# 0x000000000012F92A in /usr/bin/python3 102: 59# 0x0000000000226ECB in /usr/bin/python3 102: 60# _PyObject_MakeTpCall in /usr/bin/python3 102: 61# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 62# 0x0000000000186F24 in /usr/bin/python3 102: 63# 0x00000000001E4E20 in /usr/bin/python3 102: 64# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 65# 0x000000000012F92A in /usr/bin/python3 102: 66# 0x0000000000226ECB in /usr/bin/python3 102: 67# _PyObject_MakeTpCall in /usr/bin/python3 102: 68# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 69# 0x0000000000186F24 in /usr/bin/python3 102: 70# 0x000000000012F99E in /usr/bin/python3 102: 71# 0x000000000018FD4C in /usr/bin/python3 102: 72# _PyObject_MakeTpCall in /usr/bin/python3 102: 73# _PyEval_EvalFrameDefault in /usr/bin/python3 102: 74# PyEval_EvalCode in /usr/bin/python3 102: 75# 0x00000000002BCB1F in /usr/bin/python3 102: 76# 0x00000000002B8C80 in /usr/bin/python3 102: 77# 0x00000000002B874E in /usr/bin/python3 102: 78# 0x00000000002B80C2 in /usr/bin/python3 102: 79# Py_RunMain in /usr/bin/python3 102: 80# Py_BytesMain in /usr/bin/python3 102: 81# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 102: 82# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 102: 83# _start in /usr/bin/python3 102: ---------- 102: **** 102: 102: ..../usr/lib/python3.14/tempfile.py:484: ResourceWarning: Implicitly cleaning up <_TemporaryFileWrapper file=<_io.BufferedRandom name='/tmp/tmpe9ur9lus.mrv'>> 102: _warnings.warn(self.warn_message, ResourceWarning) 102: .....[07:01:27] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 102: [07:01:27] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 102: [07:01:27] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 102: [07:01:27] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 102: .[07:01:27] product atom-mapping number 1 found multiple times. 102: [07:01:27] product atom-mapping number 1 found multiple times. 102: ................[07:01:27] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 3 102: [07:01:27] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 3 102: .[07:01:27] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 3 102: ..[07:01:27] reactant 2 has no mapped atoms. 102: [07:01:27] reactant 2 has no mapped atoms. 102: [07:01:27] product 1 has no mapped atoms. 102: ........[07:01:27] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q 102: [07:01:27] SMARTS Parse Error: check for mistakes around position 14: 102: [07:01:27] [C:1](=[O:2])Q 102: [07:01:27] ~~~~~~~~~~~~~^ 102: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q' 102: [07:01:27] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q 102: [07:01:27] SMARTS Parse Error: check for mistakes around position 19: 102: [07:01:27] [C:1](=[O:2])[N:3]Q 102: [07:01:27] ~~~~~~~~~~~~~~~~~~^ 102: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q' 102: .[07:01:27] reactant atom-mapping number 1 found multiple times. 102: [07:01:27] product atom-mapping number 2 not found in reactants. 102: [07:01:27] mapped atoms in the reactants were not mapped in the products. 102: unmapped numbers are: 4 102: [07:01:27] product atom-mapping number 5 not found in reactants. 102: ........../build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:750: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'> 102: png = open(fname, 'rb').read() 102: ResourceWarning: Enable tracemalloc to get the object allocation traceback 102: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 34 102: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 36 102: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 38 102: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 40 102: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 42 102: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 87 102: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 89 102: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 91 102: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 93 102: [07:01:27] Found a SCD/SED line with missing/empty SDT specification at line 95 102: ..[07:01:27] SMARTS Parse Error: syntax error while parsing: boromicacid 102: [07:01:27] SMARTS Parse Error: check for mistakes around position 3: 102: [07:01:27] boromicacid 102: [07:01:27] ~~^ 102: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' 102: [07:01:27] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide 102: [07:01:27] SMARTS Parse Error: check for mistakes around position 3: 102: [07:01:27] carboxylicacid,acidchlroide 102: [07:01:27] ~~^ 102: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' 102: [07:01:27] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride 102: [07:01:27] SMARTS Parse Error: check for mistakes around position 3: 102: [07:01:27] carboxyliccaid,acidchloride 102: [07:01:27] ~~^ 102: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' 102: [07:01:27] reaction has no reactants 102: [07:01:27] reaction has no products 102: [07:01:27] initialization failed 102: [07:01:27] reaction has no reactants 102: [07:01:27] reaction has no products 102: .[07:01:27] SMARTS Parse Error: syntax error while parsing: boromicacid 102: [07:01:27] SMARTS Parse Error: check for mistakes around position 3: 102: [07:01:27] boromicacid 102: [07:01:27] ~~^ 102: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' 102: [07:01:27] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide 102: [07:01:27] SMARTS Parse Error: check for mistakes around position 3: 102: [07:01:27] carboxylicacid,acidchlroide 102: [07:01:27] ~~^ 102: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' 102: [07:01:27] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride 102: [07:01:27] SMARTS Parse Error: check for mistakes around position 3: 102: [07:01:27] carboxyliccaid,acidchloride 102: [07:01:27] ~~^ 102: [07:01:27] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' 102: [07:01:27] reaction has no reactants 102: [07:01:27] reaction has no products 102: [07:01:27] initialization failed 102: [07:01:27] reaction has no reactants 102: [07:01:27] reaction has no products 102: . 102: ---------------------------------------------------------------------- 102: Ran 55 tests in 0.177s 102: 102: OK 102: ******************************************** 102: /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/testData/AmideBond.rxn 102: 97/256 Test #102: pyChemReactions ........................ Passed 0.53 sec test 103 Start 103: pyChemReactionEnumerations 103: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py" 103: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap 103: Test timeout computed to be: 7200 103: [07:01:28] == testCartesianProduct 103: .[07:01:28] == testEnumerateLibrary 103: /build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:265: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/testData/enumeration.pickle'> 103: open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read()) 103: ResourceWarning: Enable tracemalloc to get the object allocation traceback 103: ..[07:01:28] == testRGroupState 103: .[07:01:28] == testRandomEnumerateAllBBsLibrary 103: ** [1, 1] 103: ** [0, 2] 103: ** [1, 0] 103: .[07:01:28] == testRandomEnumerateLibrary 103: .[07:01:28] == testRandomSample 103: .[07:01:28] == testRandomSampleAllBBs 103: .[07:01:28] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 103: [07:01:28] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 103: .[07:01:28] == testRemoveBadMatches 103: .[07:01:28] == testTimings 93: Read of 500x20 molecules took 1220 ms 103: . 103: ---------------------------------------------------------------------- 103: Ran 11 tests in 1.407s 103: 103: OK 103: True 103: == CartesianProductStrategy CartesianProductStrategy 103: 197 out of 300 103: 0 6 out of 10 103: 1 3 out of 5 103: 2 4 out of 6 103: 198 out of 300 103: 0 10 out of 10 103: 1 5 out of 5 103: 2 6 out of 6 103: Skipped 10000000 in 0.0668036937713623 seconds 103: Skipped 10000000 in 0.5674779415130615 seconds 103: Skipped 10000000 in 0.5439848899841309 seconds 98/256 Test #103: pyChemReactionEnumerations ............. Passed 1.81 sec test 104 Start 104: pyChemReactionSanitize 104: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ChemReactions/Wrap/testSanitize.py" 104: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap 104: Test timeout computed to be: 7200 104: .[07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: .[07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] reactant 0 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] product 0 has no mapped atoms. 104: [07:01:30] Could not find RLabel mapping for atom: 0 in template: 1 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: [07:01:30] reactant 1 has no mapped atoms. 104: .. 104: ---------------------------------------------------------------------- 104: Ran 4 tests in 0.020s 104: 104: OK 104: () 104: ******************************************** 104: $RXN 104: 104: RDKit 104: 104: 2 1 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 1 0 0 0 0 0 0999 V2000 104: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 104: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 104: 1 2 1 0 104: M RGP 1 2 1 104: V 1 halogen.bromine.aromatic 104: V 2 [*:1] 104: M STY 1 1 DAT 104: M SAL 1 1 1 104: M SED 1 [#35&$([Br&$(Br-&!@c)])] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 4 3 0 1 0 0 0 0 0 0999 V2000 104: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 104: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 2 3 1 0 104: 1 2 1 0 104: 2 4 1 0 104: M RGP 1 1 2 104: V 1 [*:2] 104: V 2 boronicacid 104: M STY 1 1 DAT 104: M SAL 1 1 2 104: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 0 0 0 0 0 0 0999 V2000 104: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 104: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 104: 1 2 1 0 104: M RGP 2 1 1 2 2 104: V 1 [*:1] 104: V 2 [*:2] 104: M END 104: 104: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 104: $RXN 104: 104: RDKit 104: 104: 2 1 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 1 0 0 0 0 0 0999 V2000 104: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 104: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 104: 1 2 1 0 104: M RGP 1 2 1 104: V 1 halogen.bromine.aromatic 104: V 2 [*:1] 104: M STY 1 1 DAT 104: M SAL 1 1 1 104: M SED 1 [#35&$([Br&$(Br-&!@c)])] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 4 3 0 1 0 0 0 0 0 0999 V2000 104: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 104: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 2 3 1 0 104: 1 2 1 0 104: 2 4 1 0 104: M RGP 1 1 2 104: V 1 [*:2] 104: V 2 boronicacid 104: M STY 1 1 DAT 104: M SAL 1 1 2 104: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 0 0 0 0 0 0 0999 V2000 104: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 104: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 104: 1 2 1 0 104: M RGP 2 1 1 2 2 104: V 1 [*:1] 104: V 2 [*:2] 104: M END 104: 104: ******************************************** 104: $RXN 104: 104: RDKit 104: 104: 2 1 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 1 0 0 0 0 0 0999 V2000 104: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 104: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 104: 1 2 1 0 104: M RGP 1 2 1 104: V 1 halogen.bromine.aromatic 104: V 2 * 104: M STY 1 1 DAT 104: M SAL 1 1 1 104: M SED 1 [#35&$([Br&$(Br-&!@c)])] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 4 3 0 1 0 0 0 0 0 0999 V2000 104: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 2 3 1 0 104: 1 2 1 0 104: 2 4 1 0 104: M RGP 1 1 2 104: V 1 * 104: V 2 boronicacid 104: M STY 1 1 DAT 104: M SAL 1 1 2 104: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 0 0 0 0 0 0 0999 V2000 104: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 104: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 104: 1 2 1 0 104: M RGP 2 1 1 2 2 104: V 1 * 104: V 2 * 104: M END 104: 104: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 104: $RXN 104: 104: RDKit 104: 104: 2 1 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 1 0 0 0 0 0 0999 V2000 104: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 104: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 104: 1 2 1 0 104: M RGP 1 2 1 104: V 1 halogen.bromine.aromatic 104: V 2 [*:1] 104: M STY 1 1 DAT 104: M SAL 1 1 1 104: M SED 1 [#35&$([Br&$(Br-&!@c)])] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 4 3 0 1 0 0 0 0 0 0999 V2000 104: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 104: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 2 3 1 0 104: 1 2 1 0 104: 2 4 1 0 104: M RGP 1 1 2 104: V 1 [*:2] 104: V 2 boronicacid 104: M STY 1 1 DAT 104: M SAL 1 1 2 104: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 0 0 0 0 0 0 0999 V2000 104: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 104: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 104: 1 2 1 0 104: M RGP 2 1 1 2 2 104: V 1 [*:1] 104: V 2 [*:2] 104: M END 104: 104: ******************************************** 104: $RXN 104: 104: RDKit 104: 104: 2 1 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 1 0 0 0 0 0 0999 V2000 104: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 104: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 104: 1 2 1 0 104: M ISO 1 2 1 104: V 1 halogen.bromine.aromatic 104: M STY 1 1 DAT 104: M SAL 1 1 1 104: M SED 1 [#35&$([Br&$(Br-&!@c)])] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 4 3 0 1 0 0 0 0 0 0999 V2000 104: 3.4375 -7.7917 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 2 3 1 0 104: 1 2 1 0 104: 2 4 1 0 104: M ISO 1 1 2 104: V 2 boronicacid 104: M STY 1 1 DAT 104: M SAL 1 1 2 104: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 0 0 0 0 0 0 0999 V2000 104: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 104: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 104: 1 2 1 0 104: M ISO 2 1 1 2 2 104: M END 104: 104: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 104: $RXN 104: 104: RDKit 104: 104: 2 1 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 1 0 0 0 0 0 0999 V2000 104: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 104: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 104: 1 2 1 0 104: M RGP 1 2 1 104: V 1 halogen.bromine.aromatic 104: V 2 [*:1] 104: M STY 1 1 DAT 104: M SAL 1 1 1 104: M SED 1 [#35&$([Br&$(Br-&!@c)])] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 4 3 0 1 0 0 0 0 0 0999 V2000 104: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 104: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 2 3 1 0 104: 1 2 1 0 104: 2 4 1 0 104: M RGP 1 1 2 104: V 1 [*:2] 104: V 2 boronicacid 104: M STY 1 1 DAT 104: M SAL 1 1 2 104: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 0 0 0 0 0 0 0999 V2000 104: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 104: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 104: 1 2 1 0 104: M RGP 2 1 1 2 2 104: V 1 [*:1] 104: V 2 [*:2] 104: M END 104: 104: ******************************************** 104: $RXN 104: 104: RDKit 104: 104: 2 1 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 1 0 0 0 0 0 0999 V2000 104: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 104: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 104: 1 2 1 0 104: M ISO 1 2 1 104: V 1 halogen.bromine.aromatic 104: M STY 1 1 DAT 104: M SAL 1 1 1 104: M SED 1 [#35&$([Br&$(Br-&!@c)])] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 4 3 0 1 0 0 0 0 0 0999 V2000 104: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 2 3 1 0 104: 1 2 1 0 104: 2 4 1 0 104: M ISO 1 1 3 104: V 2 boronicacid 104: M STY 1 1 DAT 104: M SAL 1 1 2 104: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 0 0 0 0 0 0 0999 V2000 104: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 104: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 104: 1 2 1 0 104: M ISO 2 1 1 2 2 104: M END 104: 104: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 104: $RXN 104: 104: RDKit 104: 104: 2 1 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 1 0 0 0 0 0 0999 V2000 104: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 104: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 104: 1 2 1 0 104: M RGP 1 2 1 104: V 1 halogen.bromine.aromatic 104: V 2 [*:1] 104: M STY 1 1 DAT 104: M SAL 1 1 1 104: M SED 1 [#35&$([Br&$(Br-&!@c)])] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 4 3 0 1 0 0 0 0 0 0999 V2000 104: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104: 2 3 1 0 104: 1 2 1 0 104: 2 4 1 0 104: M ISO 1 1 3 104: V 2 boronicacid 104: M STY 1 1 DAT 104: M SAL 1 1 2 104: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 104: M END 104: $MOL 104: 104: RDKit 2D 104: 104: 2 1 0 0 0 0 0 0 0 0999 V2000 104: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 104: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 104: 1 2 1 0 104: M ISO 1 2 2 104: M RGP 1 1 1 104: V 1 [*:1] 104: M END 104: 104: $RXN Failed 99/256 Test #104: pyChemReactionSanitize ................. Passed 0.39 sec test 105 Start 105: testChemTransforms 105: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms 105: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms 105: Test timeout computed to be: 7200 105: 1 smi: CC 105: 1 smi: CC 105: 2 smi: CCO[C@H](N)P 105: 2 smi: CC 105: replaceSub smi1:CCP(CC)[C@@H](N)O 105: replaceSub smi1:CCNCC 105: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O 105: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O 105: [07:01:30] SMARTS Parse Error: syntax error while parsing: bar 105: [07:01:30] SMARTS Parse Error: check for mistakes around position 3: 105: [07:01:30] bar 105: [07:01:30] ~~^ 105: [07:01:30] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar' 100/256 Test #105: testChemTransforms ..................... Passed 0.05 sec test 106 Start 106: chemTransformsTestCatch 106: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms 106: Test timeout computed to be: 7200 106: Randomness seeded to: 1020677190 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] 106: 106: **** 106: Invariant Violation 106: molzip: bond info already exists for end atom with label:1 106: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 106: Failed Expression: !bond.b 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 4# 0x000000000003C38F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 5# 0x000000000009193C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 6# 0x0000000000092F32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 7# 0x000000000009339A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 8# 0x0000000000065831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 9# 0x0000000000065B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 10# 0x000000000002ED0E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 13# 0x000000000002ED51 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: ---------- 106: **** 106: 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] 106: 106: **** 106: Invariant Violation 106: molzip: bond info already exists for end atom with label:1 106: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 106: Failed Expression: !bond.b 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 4# 0x000000000003C38F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 5# 0x000000000009193C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 6# 0x0000000000092F32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 7# 0x000000000009339A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 8# 0x0000000000065831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 9# 0x0000000000065B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 10# 0x000000000002ED0E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 13# 0x000000000002ED51 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: ---------- 106: **** 106: 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] 106: 106: **** 106: Invariant Violation 106: molzip: bond info already exists for end atom with label:1 106: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 106: Failed Expression: !bond.b 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 4# 0x000000000003C38F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 5# 0x000000000009193C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 6# 0x0000000000092F32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 7# 0x000000000009339A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 8# 0x0000000000065831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 9# 0x0000000000065B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 10# 0x000000000002ED0E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 13# 0x000000000002ED51 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: ---------- 106: **** 106: 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] 106: 106: **** 106: Invariant Violation 106: molzip: bond info already exists for end atom with label:1 106: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 106: Failed Expression: !bond.b 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 4# 0x000000000003C38F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 5# 0x000000000009193C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 6# 0x0000000000092F32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 7# 0x000000000009339A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 8# 0x0000000000065831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 9# 0x0000000000065B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 10# 0x000000000002ED0E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 13# 0x000000000002ED51 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: ---------- 106: **** 106: 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] 106: 106: **** 106: Invariant Violation 106: molzip: bond info already exists for end atom with label:1 106: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 106: Failed Expression: !bond.b 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 4# 0x000000000003C38F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 5# 0x000000000009193C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 6# 0x0000000000092F32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 7# 0x000000000009339A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 8# 0x0000000000065831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 9# 0x0000000000065B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 10# 0x000000000002ED0E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 13# 0x000000000002ED51 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: ---------- 106: **** 106: 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] 106: 106: **** 106: Invariant Violation 106: molzip: bond info already exists for end atom with label:1 106: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 106: Failed Expression: !bond.b 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 4# 0x000000000003C38F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 5# 0x000000000009193C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 6# 0x0000000000092F32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 7# 0x000000000009339A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 8# 0x0000000000065831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 9# 0x0000000000065B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 10# 0x000000000002ED0E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 13# 0x000000000002ED51 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: ---------- 106: **** 106: 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] 106: 106: **** 106: Invariant Violation 106: molzip: bond info already exists for end atom with label:1 106: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 106: Failed Expression: !bond.b 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 4# 0x000000000003C38F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 5# 0x000000000009193C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 6# 0x0000000000092F32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 7# 0x000000000009339A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 8# 0x0000000000065831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 9# 0x0000000000065B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 10# 0x000000000002ED0E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 13# 0x000000000002ED51 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: ---------- 106: **** 106: 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] 106: 106: **** 106: Invariant Violation 106: molzip: bond info already exists for end atom with label:1 106: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 106: Failed Expression: !bond.b 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 4# 0x000000000003C38F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 5# 0x000000000009193C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 6# 0x0000000000092F32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 7# 0x000000000009339A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 8# 0x0000000000065831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 9# 0x0000000000065B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 10# 0x000000000002ED0E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 13# 0x000000000002ED51 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: ---------- 106: **** 106: 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] 106: 106: **** 106: Invariant Violation 106: molzip: bond info already exists for end atom with label:1 106: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 106: Failed Expression: !bond.b 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 4# 0x000000000003C38F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 5# 0x000000000009193C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 6# 0x0000000000092F32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 7# 0x000000000009339A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 8# 0x0000000000065831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 9# 0x0000000000065B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 10# 0x000000000002ED0E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 13# 0x000000000002ED51 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: ---------- 106: **** 106: 106: [07:01:30] Incomplete atom labelling, cannot make bond 106: [07:01:30] 106: 106: **** 106: Invariant Violation 106: molzip: bond info already exists for end atom with label:1 106: Violation occurred on line 567 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 106: Failed Expression: !bond.b 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 4# 0x000000000003C38F in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 5# 0x000000000009193C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 6# 0x0000000000092F32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 7# 0x000000000009339A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 8# 0x0000000000065831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 9# 0x0000000000065B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 10# 0x000000000002ED0E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 11# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 12# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 13# 0x000000000002ED51 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: ---------- 106: **** 106: 106: [07:01:30] 106: 106: **** 106: Invariant Violation 106: molzip: zipped Bond already exists, perhaps labels are duplicated 106: Violation occurred on line 145 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 106: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx()) 106: ---------- 106: Stacktrace: 106: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 106: 2# 0x0000000000059F57 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 4# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 5# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 106: 6# 0x000000000002FEA3 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 7# 0x000000000009193C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 8# 0x0000000000092F32 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 9# 0x000000000009339A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 10# 0x0000000000065831 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 11# 0x0000000000065B2C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 12# 0x000000000002ED0E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: 13# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 14# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 106: 15# 0x000000000002ED51 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 106: ---------- 106: **** 106: 106: =============================================================================== 106: All tests passed (636 assertions in 13 test cases) 106: 101/256 Test #106: chemTransformsTestCatch ................ Passed 0.05 sec test 107 Start 107: tautomerQueryTestCatch 107: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch 107: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery 107: Test timeout computed to be: 7200 107: Randomness seeded to: 3203364549 107: =============================================================================== 107: All tests passed (112 assertions in 14 test cases) 107: 102/256 Test #107: tautomerQueryTestCatch ................. Passed 0.10 sec test 108 Start 108: pyTautomerQuery 108: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/TautomerQuery/Wrap/rough_test.py" 108: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap 108: Test timeout computed to be: 7200 108: ..... 108: ---------------------------------------------------------------------- 108: Ran 5 tests in 0.019s 108: 108: OK 103/256 Test #108: pyTautomerQuery ........................ Passed 0.13 sec test 109 Start 109: testSubgraphs1 109: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1 109: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs 109: Test timeout computed to be: 7200 93: Base transform of 500x200 molecules took 6194 ms 100: 0,0 0 100: 0,1 0 100: 1,0 0 100: 1,1 0 100: 2,0 0 100: 2,1 0 104/256 Test #100: testEnumeration ........................ Passed 8.38 sec test 110 Start 110: testSubgraphs2 110: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs2 110: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs 110: Test timeout computed to be: 7200 110: Randomness seeded to: 3349140341 110: =============================================================================== 110: All tests passed (112 assertions in 5 test cases) 110: 105/256 Test #110: testSubgraphs2 ......................... Passed 0.01 sec test 111 Start 111: subgraphsCatch 111: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch 111: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs 111: Test timeout computed to be: 7200 111: Randomness seeded to: 3316242071 111: --------- 111: =============================================================================== 111: All tests passed (11 assertions in 1 test case) 111: 106/256 Test #111: subgraphsCatch ......................... Passed 0.01 sec test 112 Start 112: filterCatalogTest 112: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest 112: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog 112: Test timeout computed to be: 7200 112: Warning: molecule failed filter 112: Warning: molecule failed filter: reason hzone_phenol_A(479) 112: v = { 112: 0,23}, 112: 1,22}, 112: 2,20}, 112: 3,19}, 112: 4,25}, 112: 5,24}, 112: 6,18}, 112: 7,17}, 112: 8,16}, 112: 9,21}, 112: } 112: match = { 112: 0,23}, 112: 1,22}, 112: 2,20}, 112: 3,19}, 112: 4,25}, 112: 5,24}, 112: 6,18}, 112: 7,17}, 112: 8,16}, 112: 9,21}, 112: } 112: Warning: molecule failed filter 112: Warning: molecule failed filter: reason cyano_imine_B(17) 112: v = { 112: 0,11}, 112: 1,12}, 112: 2,13}, 112: 3,14}, 112: 4,15}, 112: 5,10}, 112: 6,9}, 112: 7,8}, 112: 8,7}, 112: 9,6}, 112: 10,5}, 112: 11,17}, 112: 12,16}, 112: } 112: match = { 112: 0,11}, 112: 1,12}, 112: 2,13}, 112: 3,14}, 112: 4,15}, 112: 5,10}, 112: 6,9}, 112: 7,8}, 112: 8,7}, 112: 9,6}, 112: 10,5}, 112: 11,17}, 112: 12,16}, 112: } 112: Warning: molecule failed filter 112: Warning: molecule failed filter: reason keto_keto_gamma(5) 112: v = { 112: 0,0}, 112: 1,1}, 112: 2,2}, 112: 3,4}, 112: 4,5}, 112: 5,6}, 112: 6,7}, 112: 7,8}, 112: 8,9}, 112: 9,14}, 112: 10,15}, 112: 11,16}, 112: } 112: match = { 112: 0,0}, 112: 1,1}, 112: 2,2}, 112: 3,4}, 112: 4,5}, 112: 5,6}, 112: 6,7}, 112: 7,8}, 112: 8,9}, 112: 9,14}, 112: 10,15}, 112: 11,16}, 112: } 107/256 Test #112: filterCatalogTest ...................... Passed 0.12 sec test 113 Start 113: pyFilterCatalog 113: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/FilterCatalog/Wrap/rough_test.py" 113: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap 113: Test timeout computed to be: 7200 113: .............[07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: [07:01:36] SMILES Parse Error: syntax error while parsing: --- 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] --- 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 113: [07:01:36] dasfsadf 113: .[07:01:36] SMILES Parse Error: syntax error while parsing: mydoghasfleas 113: [07:01:36] SMILES Parse Error: check for mistakes around position 1: 113: [07:01:36] mydoghasfleas 113: [07:01:36] ^ 113: [07:01:36] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas' 113: ....... 113: ---------------------------------------------------------------------- 113: Ran 21 tests in 0.398s 113: 113: OK 113: (Five aromatic carbons And (Not any of Five aromatic carbons)) 113: (Five aromatic carbons Or (Not any of Five aromatic carbons)) 113: (Not (Five aromatic carbons And (Not any of Five aromatic carbons))) 113: ******************************************** 113: Testing: PAINS_A 2 113: ******************************************** 113: Testing: PAINS_B 4 113: ******************************************** 113: Testing: PAINS_C 8 113: ******************************************** 113: Testing: PAINS 14 113: (Not FilterMatcher) 113: Bar 113: Count 1 113: ******************************************** 113: {'Cl,Br,I'} 113: 1 113: 2 113: running 108/256 Test #113: pyFilterCatalog ........................ Passed 0.57 sec test 114 Start 114: testFragCatalog 114: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 114: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog 114: Test timeout computed to be: 7200 114: 21 114: [07:01:36] 114: 114: **** 114: Invariant Violation 114: nonsense 114: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 114: Failed Expression: token != tokens.end() 114: ---------- 114: Stacktrace: 114: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 114: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 114: 2# 0x0000000000017309 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1 114: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1 114: 4# 0x000000000000A2D6 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 114: 5# 0x0000000000007501 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 114: 6# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 114: 7# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 114: 8# 0x0000000000007671 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 114: ---------- 114: **** 114: 114: [07:01:36] 114: 114: **** 114: Invariant Violation 114: nonsense no new line 114: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 114: Failed Expression: token != tokens.end() 114: ---------- 114: Stacktrace: 114: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 114: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 114: 2# 0x0000000000017309 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1 114: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1 114: 4# 0x000000000000A2D6 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 114: 5# 0x0000000000007501 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 114: 6# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 114: 7# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 114: 8# 0x0000000000007671 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 114: ---------- 114: **** 114: 114: [07:01:36] 114: 114: **** 114: Invariant Violation 114: nonsense with tab 114: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 114: Failed Expression: token != tokens.end() 114: ---------- 114: Stacktrace: 114: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 114: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 114: 2# 0x0000000000017309 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1 114: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1 114: 4# 0x000000000000A2D6 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 114: 5# 0x0000000000007501 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 114: 6# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 114: 7# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 114: 8# 0x0000000000007671 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 114: ---------- 114: **** 114: 109/256 Test #114: testFragCatalog ........................ Passed 0.34 sec test 115 Start 115: pyFragCatalog 115: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/FragCatalog/Wrap/rough_test.py" 115: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap 115: Test timeout computed to be: 7200 115: ......... 115: ---------------------------------------------------------------------- 115: Ran 9 tests in 0.025s 115: 115: OK 110/256 Test #115: pyFragCatalog .......................... Passed 0.14 sec test 116 Start 116: testDescriptors 116: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testDescriptors 116: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 116: Test timeout computed to be: 7200 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test Crippen parameter acquisition. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test Crippen calculation. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test Issue262: problems with Crippen calculation from pickles. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test AMW calculation. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test Exact MW calculation. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test Labute ASA descriptors. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test TPSA descriptors. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test Lipinski parameters. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test VSA descriptors. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test molecular formula calculation. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test Issue 3415534. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test Issue3433771: Bad definition for Crippen atom type O11. 116: [07:01:36] done 116: [07:01:36] ------------------------------------- 116: [07:01:36] Test multithreading 116: reading molecules 116: processing 116: launch :0 116: launch :1 116: launch :2 116: launch :3 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test Issue252: Bad definitions for Crippen atom types. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test calculation of ChiVs. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test calculation of ChiNs. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test calculation of HallKierAlpha. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test calculation of Kappa1. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test calculation of Kappa2. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test calculation of Kappa3. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test Crippen atom type calculations. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test ring descriptors 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test other count descriptors. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test MQN 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test GitHub Issue 56. 116: [07:01:39] WARNING: not removing hydrogen atom without neighbors 116: [07:01:39] WARNING: not removing hydrogen atom without neighbors 116: [07:01:39] WARNING: not removing hydrogen atom without neighbors 116: [07:01:39] WARNING: not removing hydrogen atom without neighbors 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test Github92: Bad Crippen atom type for pyrrole H. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test Github362: order dependence in Kier-Hall descriptors. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test calculation of spiro and bridgehead counts. 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test Github694: ExactMolWt ignoring the mass of the electron 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Testing Properties and KitchenSink 116: [07:01:39] ---Caught keyerror (bad property name)--- 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test USR Descriptor 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test Github #1973: support P and S terms for TPSA calculation 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test Github #2948: Empty molecule has non-zero LabuteASA 116: [07:01:39] done 116: [07:01:39] ------------------------------------- 116: [07:01:39] Test Github #8997: incorrect numHBA in N-heterocycles 116: [07:01:39] done 111/256 Test #116: testDescriptors ........................ Passed 2.22 sec test 117 Start 117: testAUTOCORR2D 117: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D 117: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 117: Test timeout computed to be: 7200 117: [07:01:39] ---------------------------- 117: start test autocorr2D 117: [07:01:39] done 117: [07:01:39] ------------------------------------- 117: [07:01:39] Test Github #3806: NaNs from AUTOCORR2D descriptor 117: [07:01:39] done 112/256 Test #117: testAUTOCORR2D ......................... Passed 0.17 sec test 118 Start 118: testATF 118: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testATF 118: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 118: Test timeout computed to be: 7200 113/256 Test #118: testATF ................................ Passed 0.01 sec test 119 Start 119: testBCUT 119: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testBCUT 119: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 119: Test timeout computed to be: 7200 119: [07:01:39] ------------------------------------- 119: [07:01:39] Basic BCUT tests. 119: [07:01:39] done 119: [07:01:39] ------------------------------------- 119: [07:01:39] Larger BCUT tests. 119: [07:01:39] ------------------------------------- 119: [07:01:39] Test empty molecule BCUT. 114/256 Test #119: testBCUT ............................... Passed 0.30 sec test 120 Start 120: testEEM 120: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testEEM 120: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 120: Test timeout computed to be: 7200 120: =>start test EEM 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: 0 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: 100 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: 200 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: 300 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: 400 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: [07:01:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 120: Elapsed time: 0.412419 s 120: Errors:0 120: [07:01:39] test on : 500 molecules done 115/256 Test #120: testEEM ................................ Passed 0.43 sec test 121 Start 121: testPBF 121: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testPBF 121: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 121: Test timeout computed to be: 7200 121: [07:01:39] ------------------------------------- 121: [07:01:39] Basic PBF tests. 121: [07:01:40] done 121: [07:01:40] ------------------------------------- 121: [07:01:40] PBF edge cases. 121: [07:01:40] done 116/256 Test #121: testPBF ................................ Passed 0.11 sec test 122 Start 122: testRDFcustom 122: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDFcustom 122: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 122: Test timeout computed to be: 7200 122: =>start test rdf custom 122: [07:01:40] test on : 365 molecules done 122: =>start test morse custom 122: [07:01:40] test on : 365 molecules done 122: =>start test AUTOCORR3D custom 122: [07:01:40] test on : 365 molecules done 122: =>start test 2 WHIM custom 122: [07:01:41] test on : 365 molecules done 122: =>start test 1 WHIM custom 122: [07:01:41] test on : 365 molecules done 93: Parallel transform of 500x200 molecules took 6559 ms 93: =============================================================================== 93: All tests passed (33358 assertions in 10 test cases) 93: 117/256 Test #93: fileParsersIteratorsTest ............... Passed 18.13 sec test 123 Start 123: testRDF 123: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDF 123: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 123: Test timeout computed to be: 7200 123: =>start test rdf 123: [07:01:42] test on : 365 molecules done 118/256 Test #123: testRDF ................................ Passed 0.30 sec test 124 Start 124: testMORSE 124: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testMORSE 124: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 124: Test timeout computed to be: 7200 122: =>start test GETAWAY custom 122: [07:01:42] test on : 365 molecules done 119/256 Test #122: testRDFcustom .......................... Passed 2.07 sec test 125 Start 125: test3D 125: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/test3D 125: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 125: Test timeout computed to be: 7200 125: [07:01:42] ------------------------------------- 125: [07:01:42] Basic PMI tests. 125: [07:01:42] done 125: [07:01:42] ------------------------------------- 125: [07:01:42] More PMI/NPR tests. 125: [07:01:42] done 125: [07:01:42] ------------------------------------- 125: [07:01:42] Basic NPR tests. 124: =>start test MORSE 124: =>read file 124: [07:01:42] test on : 365 molecules done 120/256 Test #124: testMORSE .............................. Passed 0.39 sec test 126 Start 126: testWHIM 126: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testWHIM 126: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 126: Test timeout computed to be: 7200 125: [07:01:42] done 125: [07:01:42] ------------------------------------- 125: [07:01:42] PMI edge cases. 125: [07:01:42] done 125: [07:01:42] ------------------------------------- 125: [07:01:42] NPR edge cases. 125: [07:01:42] done 125: [07:01:42] ------------------------------------- 125: [07:01:42] 3D descriptors. 125: [07:01:42] done 125: [07:01:42] ------------------------------------- 125: [07:01:42] 3D descriptor edge cases. 125: [07:01:42] done 125: [07:01:42] ------------------------------------- 125: [07:01:42] Inertial shape factor. 125: [07:01:42] done 121/256 Test #125: test3D ................................. Passed 0.35 sec test 127 Start 127: testGETAWAY 127: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY 127: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 127: Test timeout computed to be: 7200 33: [07:01:42] Finished 33: [07:01:42] ------------------------------------- 33: [07:01:42] Test github1843: RWMol.clear() should not destroy ring pointer. 33: [07:01:42] Finished 33: [07:01:42] ------------------------------------- 33: [07:01:42] Test Github 6370: non-physical radical counts being preserved 33: [07:01:42] Finished 122/256 Test #33: graphmolTest1 .......................... Passed 32.50 sec test 128 Start 128: testAUTOCORR3D 128: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR3D 128: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 128: Test timeout computed to be: 7200 126: =>start test WHIM 126: [07:01:42] test on : 365 molecules done 123/256 Test #126: testWHIM ............................... Passed 0.25 sec test 129 Start 129: testCoulombMat 129: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testCoulombMat 129: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 129: Test timeout computed to be: 7200 129: ===================== Testing CoulombMat ======================= 129: CM test 1 mat Done 124/256 Test #129: testCoulombMat ......................... Passed 0.03 sec test 130 Start 130: descriptorsTestCatch 130: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/descriptorsTestCatch 130: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors 130: Test timeout computed to be: 7200 128: =>start test autocorr3D 128: [07:01:42] test on : 365 molecules done 125/256 Test #128: testAUTOCORR3D ......................... Passed 0.20 sec test 131 Start 131: pyMolDescriptors 131: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py" 131: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap 131: Test timeout computed to be: 7200 41: [07:01:42] Finished in 29555 ms 41: [07:01:42] Finished 41: [07:01:42] testing smiles round-tripping. 41: [07:01:42] Finished 41: [07:01:42] testing github #1567: Non-canonical result from MolFragmentToSmiles() 41: [07:01:42] Finished 126/256 Test #41: hanoiTest .............................. Passed 31.88 sec test 132 Start 132: pyMolDescriptors3D 132: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Descriptors/Wrap/test3D.py" 132: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap 132: Test timeout computed to be: 7200 132: ........ 132: ---------------------------------------------------------------------- 132: Ran 8 tests in 0.046s 132: 132: OK 127/256 Test #132: pyMolDescriptors3D ..................... Passed 0.16 sec test 133 Start 133: testFingerprints 133: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprints 133: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints 133: Test timeout computed to be: 7200 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: Atoms: 133: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: Bonds: 133: 0 0->1 order: 1 conj?: 1 133: 1 1->2 order: a conj?: 1 aromatic?: 1 133: 2 2->3 order: a conj?: 1 aromatic?: 1 133: 3 3->4 order: a conj?: 1 aromatic?: 1 133: 4 4->5 order: a conj?: 1 aromatic?: 1 133: 5 5->6 order: a conj?: 1 aromatic?: 1 133: 6 6->7 order: a conj?: 1 aromatic?: 1 133: 7 7->8 order: a conj?: 1 aromatic?: 1 133: 8 8->9 order: 1 conj?: 1 133: 9 8->10 order: a conj?: 1 aromatic?: 1 133: 10 10->1 order: a conj?: 1 aromatic?: 1 133: 11 7->3 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: SMI: Oc1cc2[nH]cnc2c(O)n1 133: Atoms: 133: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: Bonds: 133: 0 0->1 order: 1 conj?: 1 133: 1 1->2 order: a conj?: 1 aromatic?: 1 133: 2 2->3 order: a conj?: 1 aromatic?: 1 133: 3 3->4 order: a conj?: 1 aromatic?: 1 133: 4 4->5 order: a conj?: 1 aromatic?: 1 133: 5 5->6 order: a conj?: 1 aromatic?: 1 133: 6 6->7 order: a conj?: 1 aromatic?: 1 133: 7 7->8 order: a conj?: 1 aromatic?: 1 133: 8 8->9 order: 1 conj?: 1 133: 9 8->10 order: a conj?: 1 aromatic?: 1 133: 10 10->1 order: a conj?: 1 aromatic?: 1 133: 11 7->3 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: SMI: c1(O)cc2[nH]cnc2c(O)n1 133: Atoms: 133: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: Bonds: 133: 0 0->1 order: 1 conj?: 1 133: 1 0->2 order: a conj?: 1 aromatic?: 1 133: 2 2->3 order: a conj?: 1 aromatic?: 1 133: 3 3->4 order: a conj?: 1 aromatic?: 1 133: 4 4->5 order: a conj?: 1 aromatic?: 1 133: 5 5->6 order: a conj?: 1 aromatic?: 1 133: 6 6->7 order: a conj?: 1 aromatic?: 1 133: 7 7->8 order: a conj?: 1 aromatic?: 1 133: 8 8->9 order: 1 conj?: 1 133: 9 8->10 order: a conj?: 1 aromatic?: 1 133: 10 10->0 order: a conj?: 1 aromatic?: 1 133: 11 7->3 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: SMI: c1c(O)nc(O)c2c1[nH]cn2 133: Atoms: 133: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 3 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: Bonds: 133: 0 0->1 order: a conj?: 1 aromatic?: 1 133: 1 1->2 order: 1 conj?: 1 133: 2 1->3 order: a conj?: 1 aromatic?: 1 133: 3 3->4 order: a conj?: 1 aromatic?: 1 133: 4 4->5 order: 1 conj?: 1 133: 5 4->6 order: a conj?: 1 aromatic?: 1 133: 6 6->7 order: a conj?: 1 aromatic?: 1 133: 7 7->8 order: a conj?: 1 aromatic?: 1 133: 8 8->9 order: a conj?: 1 aromatic?: 1 133: 9 9->10 order: a conj?: 1 aromatic?: 1 133: 10 7->0 order: a conj?: 1 aromatic?: 1 133: 11 10->6 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: SMI: c12cc(O)nc(O)c1nc[nH]2 133: Atoms: 133: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 3 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: Bonds: 133: 0 0->1 order: a conj?: 1 aromatic?: 1 133: 1 1->2 order: a conj?: 1 aromatic?: 1 133: 2 2->3 order: 1 conj?: 1 133: 3 2->4 order: a conj?: 1 aromatic?: 1 133: 4 4->5 order: a conj?: 1 aromatic?: 1 133: 5 5->6 order: 1 conj?: 1 133: 6 5->7 order: a conj?: 1 aromatic?: 1 133: 7 7->8 order: a conj?: 1 aromatic?: 1 133: 8 8->9 order: a conj?: 1 aromatic?: 1 133: 9 9->10 order: a conj?: 1 aromatic?: 1 133: 10 7->0 order: a conj?: 1 aromatic?: 1 133: 11 10->0 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: SMI: [nH]1c2cc(O)nc(O)c2nc1 133: Atoms: 133: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 9 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 10 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: Bonds: 133: 0 0->1 order: a conj?: 1 aromatic?: 1 133: 1 1->2 order: a conj?: 1 aromatic?: 1 133: 2 2->3 order: a conj?: 1 aromatic?: 1 133: 3 3->4 order: 1 conj?: 1 133: 4 3->5 order: a conj?: 1 aromatic?: 1 133: 5 5->6 order: a conj?: 1 aromatic?: 1 133: 6 6->7 order: 1 conj?: 1 133: 7 6->8 order: a conj?: 1 aromatic?: 1 133: 8 8->9 order: a conj?: 1 aromatic?: 1 133: 9 9->10 order: a conj?: 1 aromatic?: 1 133: 10 10->0 order: a conj?: 1 aromatic?: 1 133: 11 8->1 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: SMI: c1[nH]c2cc(O)nc(O)c2n1 133: Atoms: 133: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 1 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 8 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: Bonds: 133: 0 0->1 order: a conj?: 1 aromatic?: 1 133: 1 1->2 order: a conj?: 1 aromatic?: 1 133: 2 2->3 order: a conj?: 1 aromatic?: 1 133: 3 3->4 order: a conj?: 1 aromatic?: 1 133: 4 4->5 order: 1 conj?: 1 133: 5 4->6 order: a conj?: 1 aromatic?: 1 133: 6 6->7 order: a conj?: 1 aromatic?: 1 133: 7 7->8 order: 1 conj?: 1 133: 8 7->9 order: a conj?: 1 aromatic?: 1 133: 9 9->10 order: a conj?: 1 aromatic?: 1 133: 10 10->0 order: a conj?: 1 aromatic?: 1 133: 11 9->2 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: SMI: n1c[nH]c2cc(O)nc(O)c21 133: Atoms: 133: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 10 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: Bonds: 133: 0 0->1 order: a conj?: 1 aromatic?: 1 133: 1 1->2 order: a conj?: 1 aromatic?: 1 133: 2 2->3 order: a conj?: 1 aromatic?: 1 133: 3 3->4 order: a conj?: 1 aromatic?: 1 133: 4 4->5 order: a conj?: 1 aromatic?: 1 133: 5 5->6 order: 1 conj?: 1 133: 6 5->7 order: a conj?: 1 aromatic?: 1 133: 7 7->8 order: a conj?: 1 aromatic?: 1 133: 8 8->9 order: 1 conj?: 1 133: 9 8->10 order: a conj?: 1 aromatic?: 1 133: 10 10->0 order: a conj?: 1 aromatic?: 1 133: 11 10->3 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: SMI: c12c(cc(O)nc1O)[nH]cn2 133: Atoms: 133: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: Bonds: 133: 0 0->1 order: a conj?: 1 aromatic?: 1 133: 1 1->2 order: a conj?: 1 aromatic?: 1 133: 2 2->3 order: a conj?: 1 aromatic?: 1 133: 3 3->4 order: 1 conj?: 1 133: 4 3->5 order: a conj?: 1 aromatic?: 1 133: 5 5->6 order: a conj?: 1 aromatic?: 1 133: 6 6->7 order: 1 conj?: 1 133: 7 1->8 order: a conj?: 1 aromatic?: 1 133: 8 8->9 order: a conj?: 1 aromatic?: 1 133: 9 9->10 order: a conj?: 1 aromatic?: 1 133: 10 6->0 order: a conj?: 1 aromatic?: 1 133: 11 10->0 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: SMI: c1(O)c2c(cc(O)n1)[nH]cn2 133: Atoms: 133: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: Bonds: 133: 0 0->1 order: 1 conj?: 1 133: 1 0->2 order: a conj?: 1 aromatic?: 1 133: 2 2->3 order: a conj?: 1 aromatic?: 1 133: 3 3->4 order: a conj?: 1 aromatic?: 1 133: 4 4->5 order: a conj?: 1 aromatic?: 1 133: 5 5->6 order: 1 conj?: 1 133: 6 5->7 order: a conj?: 1 aromatic?: 1 133: 7 3->8 order: a conj?: 1 aromatic?: 1 133: 8 8->9 order: a conj?: 1 aromatic?: 1 133: 9 9->10 order: a conj?: 1 aromatic?: 1 133: 10 7->0 order: a conj?: 1 aromatic?: 1 133: 11 10->2 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: SMI: Oc1c2c(cc(O)n1)[nH]cn2 133: Atoms: 133: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: Bonds: 133: 0 0->1 order: 1 conj?: 1 133: 1 1->2 order: a conj?: 1 aromatic?: 1 133: 2 2->3 order: a conj?: 1 aromatic?: 1 133: 3 3->4 order: a conj?: 1 aromatic?: 1 133: 4 4->5 order: a conj?: 1 aromatic?: 1 133: 5 5->6 order: 1 conj?: 1 133: 6 5->7 order: a conj?: 1 aromatic?: 1 133: 7 3->8 order: a conj?: 1 aromatic?: 1 133: 8 8->9 order: a conj?: 1 aromatic?: 1 133: 9 9->10 order: a conj?: 1 aromatic?: 1 133: 10 7->1 order: a conj?: 1 aromatic?: 1 133: 11 10->2 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: SMI: n1c(O)cc2[nH]cnc2c1O 133: Atoms: 133: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 6 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 133: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 133: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 133: 10 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 133: Bonds: 133: 0 0->1 order: a conj?: 1 aromatic?: 1 133: 1 1->2 order: 1 conj?: 1 133: 2 1->3 order: a conj?: 1 aromatic?: 1 133: 3 3->4 order: a conj?: 1 aromatic?: 1 133: 4 4->5 order: a conj?: 1 aromatic?: 1 133: 5 5->6 order: a conj?: 1 aromatic?: 1 133: 6 6->7 order: a conj?: 1 aromatic?: 1 133: 7 7->8 order: a conj?: 1 aromatic?: 1 133: 8 8->9 order: a conj?: 1 aromatic?: 1 133: 9 9->10 order: 1 conj?: 1 133: 10 9->0 order: a conj?: 1 aromatic?: 1 133: 11 8->4 order: a conj?: 1 aromatic?: 1 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: 133: 133: 133: 133: 133: 133: 133: 133: ------------------- 133: 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Morgan Fingerprints. 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Morgan Fingerprints using fromAtoms argument. 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Morgan Fingerprints as bit vects. 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Morgan Fingerprints with feature invariants. 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test additional Morgan fingerprints options. 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Atom Codes. 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Atom Pairs. 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Atom Pairs part 2. 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Topological Torsions. 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Bulk Topological Torsions. 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Hashed Atom Pairs. 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Hashed torsions. 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Rooted Atom Pairs. 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test ignoring atoms in Atom Pairs. 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Rooted Topological Torsions. 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test ignoring atoms in Topological Torsions. 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test atom info from morgan fingerprints. 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test atom info from morgan fingerprints including Info Redundant Environments. 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] ------------------------------------- 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] ------------------------------------- 133: [07:01:43] ------------------------------------- 133: [07:01:43] ------------------------------------- 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Atom Pairs including info about chirality. 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test Topological Torsions including info about chirality. 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test GitHub Issue 25: fingerprint backwards compatibility. 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test GitHub Issue 151: PatternFingerprint problems 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test 3D atom pairs. 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule 133: [07:01:43] done 133: [07:01:43] ------------------------------------- 133: [07:01:43] Test multithreading with the pattern FP 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: ..[07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: .[07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: ..[07:01:43] 131: 131: **** 133: reading molecules 131: Pre-condition Violation 131: Number of atom props not equal to number of atoms 131: Violation occurred on line 89 in file ./Code/GraphMol/Descriptors/BCUT.cpp 131: Failed Expression: atom_props.size() == num_atoms 131: ---------- 131: Stacktrace: 131: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 131: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 131: 2# RDKit::Descriptors::BCUT2D(RDKit::ROMol const&, std::vector > const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitDescriptors.so.1 131: 3# 0x00000000000616BD in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolDescriptors.so 131: 4# 0x00000000000895A0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolDescriptors.so 131: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 131: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 131: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 131: 17# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 131: 18# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 131: 19# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 131: 20# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 131: 21# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 131: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 131: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 131: 27# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 131: 28# _PyObject_MakeTpCall in /usr/bin/python3 131: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 131: 30# 0x0000000000186F24 in /usr/bin/python3 131: 31# 0x00000000001E4E20 in /usr/bin/python3 131: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 131: 33# 0x000000000012F92A in /usr/bin/python3 131: 34# 0x0000000000226ECB in /usr/bin/python3 131: 35# _PyObject_MakeTpCall in /usr/bin/python3 131: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 131: 37# 0x0000000000186F24 in /usr/bin/python3 131: 38# 0x00000000001E4E20 in /usr/bin/python3 131: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 131: 40# 0x000000000012F92A in /usr/bin/python3 131: 41# 0x0000000000226ECB in /usr/bin/python3 131: 42# _PyObject_MakeTpCall in /usr/bin/python3 131: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 131: 44# 0x0000000000186F24 in /usr/bin/python3 131: 45# 0x00000000001E4E20 in /usr/bin/python3 131: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 131: 47# 0x000000000012F92A in /usr/bin/python3 131: 48# 0x0000000000226ECB in /usr/bin/python3 131: 49# _PyObject_MakeTpCall in /usr/bin/python3 131: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 131: 51# 0x000000000012F92A in /usr/bin/python3 131: 52# 0x000000000018FD4C in /usr/bin/python3 131: 53# _PyObject_MakeTpCall in /usr/bin/python3 131: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 131: 55# PyEval_EvalCode in /usr/bin/python3 131: 56# 0x00000000002BCB1F in /usr/bin/python3 131: 57# 0x00000000002B8C80 in /usr/bin/python3 131: 58# 0x00000000002B874E in /usr/bin/python3 131: 59# 0x00000000002B80C2 in /usr/bin/python3 131: 60# Py_RunMain in /usr/bin/python3 131: 61# Py_BytesMain in /usr/bin/python3 131: 62# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 131: 63# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 131: 64# _start in /usr/bin/python3 131: ---------- 131: **** 131: 133: pass 1 133: launch :0 133: launch :1 133: launch :2 133: launch :3 133: pass 2 133: launch :0 133: launch :1 133: launch :2 133: launch :3 109: Randomness seeded to: 614169023 109: =============================================================================== 109: All tests passed (340 assertions in 10 test cases) 109: 128/256 Test #109: testSubgraphs1 ......................... Passed 12.95 sec test 134 Start 134: testMHFPFingerprint 134: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testMHFPFingerprint 134: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints 134: Test timeout computed to be: 7200 134: [07:01:43] ------------------------------------- 134: [07:01:43] Test MHFP fingerprint encoder initialization 134: [07:01:43] done 134: [07:01:43] ------------------------------------- 134: [07:01:43] Test MHFP shingling creation 130: Randomness seeded to: 805237539 130: =============================================================================== 130: All tests passed (815 assertions in 11 test cases) 130: 129/256 Test #130: descriptorsTestCatch ................... Passed 0.95 sec test 135 Start 135: testFingerprintGenerators 135: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprintGenerators 135: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints 135: Test timeout computed to be: 7200 134: [07:01:43] done 134: [07:01:43] ------------------------------------- 134: [07:01:43] Test MHFP hashing of string and uint arrays 134: [07:01:43] done 134: [07:01:43] ------------------------------------- 134: [07:01:43] Test SECFP fingerprint functionality 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test atom-pair fp generator 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test atom-pair fp generator with different arguments 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation 135: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 135: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 135: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 135: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 135: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 135: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 135: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 135: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 135: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 134: [07:01:43] done 135: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 130/256 Test #134: testMHFPFingerprint .................... Passed 0.10 sec test 136 Start 136: fpTestCatch 136: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/fpTestCatch 136: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints 136: Test timeout computed to be: 7200 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test atom-pair additional output 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test Folded Atom Pairs. 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test Rooted Atom Pairs. 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test ignoring atoms in Atom Pairs. 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test Atom Pairs including info about chirality. 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test Morgan Fingerprints. 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test morgan fp generator 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test Morgan Fingerprints using fromAtoms argument. 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test Morgan Fingerprints as bit vects. 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test Morgan Fingerprints with feature invariants. 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test additional Morgan fingerprints options. 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Single atoms setting radius 1 bits in Morgan fingerprints 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test different invariant generator combinations 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test invariant overriding 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test RDKit fp generator 136: Randomness seeded to: 2449570113 136: =============================================================================== 136: All tests passed (245 assertions in 17 test cases) 136: 131/256 Test #136: fpTestCatch ............................ Passed 0.04 sec test 137 Start 137: fpGenTestCatch 137: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/fpGenTestCatch 137: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints 137: Test timeout computed to be: 7200 137: Randomness seeded to: 1337542786 137: =============================================================================== 137: All tests passed (2763 assertions in 8 test cases) 137: 132/256 Test #137: fpGenTestCatch ......................... Passed 0.09 sec test 138 Start 138: pyTestGenerator 138: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/Wrap/testGenerators.py" 138: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap 138: Test timeout computed to be: 7200 127: =>start test GETAWAY 127: [07:01:43] test on : 365 molecules done 133/256 Test #127: testGETAWAY ............................ Passed 1.39 sec test 139 Start 139: pyTestMHFP 139: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Fingerprints/Wrap/testMHFP.py" 139: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap 139: Test timeout computed to be: 7200 131: ....[07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: .[07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: ..[07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: .[07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: ...[07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: [07:01:43] DEPRECATION WARNING: please use MorganGenerator 131: ....[07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: ....[07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: [07:01:43] DEPRECATION WARNING: please use AtomPairGenerator 131: .[07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: ..[07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: .[07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [07:01:43] done 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test unfolded version of RDKFP 135: [07:01:43] ------------------------------------- 135: [07:01:43] Test topological torsion fp generator 135: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 131: ... 131: ---------------------------------------------------------------------- 131: Ran 31 tests in 0.777s 131: 131: OK 131: exactmw 78.046950192 131: amw 78.11399999999999 131: lipinskiHBA 0.0 131: lipinskiHBD 0.0 131: NumRotatableBonds 0.0 131: NumHBD 0.0 131: NumHBA 0.0 131: NumHeavyAtoms 6.0 131: NumAtoms 12.0 131: NumHeteroatoms 0.0 131: NumAmideBonds 0.0 131: FractionCSP3 0.0 131: NumRings 1.0 131: NumAromaticRings 1.0 131: NumAliphaticRings 0.0 131: NumSaturatedRings 0.0 131: NumHeterocycles 0.0 131: NumAromaticHeterocycles 0.0 131: NumSaturatedHeterocycles 0.0 131: NumAliphaticHeterocycles 0.0 131: NumSpiroAtoms 0.0 131: NumBridgeheadAtoms 0.0 131: NumAtomStereoCenters 0.0 131: NumUnspecifiedAtomStereoCenters 0.0 131: labuteASA 37.43140311949697 131: tpsa 0.0 131: CrippenClogP 1.6866 131: CrippenMR 26.441999999999993 131: chi0v 3.464101615137755 131: chi1v 2.0000000000000004 131: chi2v 0.6666666666666671 131: chi3v 0.6666666666666671 131: chi4v 0.38490017945975075 131: chi0n 3.464101615137755 131: chi1n 2.0000000000000004 131: chi2n 0.6666666666666671 131: chi3n 0.6666666666666671 131: chi4n 0.38490017945975075 131: hallKierAlpha -0.78 131: kappa1 3.4115708812260532 131: kappa2 1.6057694396735218 131: kappa3 0.5823992601400448 131: Phi 0.9130327103921437 131: CustomNumAtoms 6.0 131: exactmw 78.046950192 131: lipinskiHBA 0.0 135: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [07:01:43] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [07:01:44] DEPRECATION WARNING: please use TopologicalTorsionGenerator 135: [07:01:44] done 135: [07:01:44] ------------------------------------- 135: [07:01:44] Test Topological Torsions. 135: [07:01:44] done 135: [07:01:44] ------------------------------------- 135: [07:01:44] Test Folded torsions. 135: [07:01:44] done 135: [07:01:44] ------------------------------------- 135: [07:01:44] Test Bulk Topological Torsions. 134/256 Test #131: pyMolDescriptors ....................... Passed 1.30 sec test 140 Start 140: testPartialCharges 140: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/testPartialCharges 140: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges 140: Test timeout computed to be: 7200 135/256 Test #140: testPartialCharges ..................... Passed 0.02 sec test 141 Start 141: pyPartialCharges 141: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py" 141: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap 141: Test timeout computed to be: 7200 135: [07:01:44] done 135: [07:01:44] ------------------------------------- 135: [07:01:44] Test Rooted Topological Torsions. 135: [07:01:44] done 135: [07:01:44] ------------------------------------- 135: [07:01:44] Test ignoring atoms in Topological Torsions. 135: [07:01:44] done 135: [07:01:44] ------------------------------------- 135: [07:01:44] ------------------------------------- 135: [07:01:44] Test Topological Torsions including info about chirality. 135: [07:01:44] done 135: [07:01:44] ------------------------------------- 135: [07:01:44] Test GitHub Issue 25: fingerprint backwards compatibility. 135: [07:01:44] done 135: [07:01:44] ------------------------------------- 135: [07:01:44] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP. 135: [07:01:44] done 135: [07:01:44] ------------------------------------- 135: [07:01:44] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811 135: [07:01:44] done 135: [07:01:44] ------------------------------------- 135: [07:01:44] Test convenience and bulk fp calculation functions 139: ... 139: ---------------------------------------------------------------------- 139: Ran 3 tests in 0.143s 139: 139: OK 136/256 Test #139: pyTestMHFP ............................. Passed 0.28 sec test 142 Start 142: testMolTransforms 142: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/testMolTransforms 142: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms 142: Test timeout computed to be: 7200 142: *********************************************************** 142: Testing MolTransforms 142: --------------------------------- 142: test1Canonicalization 142: 142: --------------------------------- 142: testGetSetBondLength 142: 142: --------------------------------- 142: testGetSetAngle 142: 142: --------------------------------- 142: testGetSetDihedral 142: 142: --------------------------------- 142: testGetSetDihedralThroughTripleBond 142: 142: --------------------------------- 142: testGithub1262: PMI descriptors incorrect 142: 142: --------------------------------- 142: testGithub1908: CanonicalizeMol() distorting bond lengths 142: 142: --------------------------------- 142: testGithub4302: native computeCanonicalTransform() generates non-canonical coords 142: 142: --------------------------------- 142: testWeightedCentroid 142: 142: *********************************************************** 137/256 Test #142: testMolTransforms ...................... Passed 0.04 sec test 143 Start 143: molTransformsTestCatch 143: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/molTransformsTestCatch 143: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms 143: Test timeout computed to be: 7200 143: Randomness seeded to: 1554359907 143: =============================================================================== 143: All tests passed (8 assertions in 2 test cases) 143: 138/256 Test #143: molTransformsTestCatch ................. Passed 0.04 sec test 144 Start 144: pyMolTransforms 144: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py" 144: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap 144: Test timeout computed to be: 7200 138: ................ 138: ---------------------------------------------------------------------- 138: Ran 16 tests in 0.100s 138: 138: OK 139/256 Test #138: pyTestGenerator ........................ Passed 0.55 sec test 145 Start 145: forceFieldHelpersCatch 145: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/forceFieldHelpersCatch 145: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers 145: Test timeout computed to be: 7200 145: Randomness seeded to: 1754379012 145: =============================================================================== 145: All tests passed (17 assertions in 2 test cases) 145: 141: ....... 141: ---------------------------------------------------------------------- 141: Ran 7 tests in 0.116s 141: 141: OK 140/256 Test #145: forceFieldHelpersCatch ................. Passed 0.04 sec test 146 Start 146: testMMFFForceFieldHelpers 146: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers 146: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF 146: Test timeout computed to be: 7200 146: [07:01:44] ------------------------------------- 146: [07:01:44] Test MMFF atom types. 141/256 Test #141: pyPartialCharges ....................... Passed 0.35 sec test 147 Start 147: testMMFFForceFieldHelpersMultiThread 147: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpersMultiThread 147: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF 147: Test timeout computed to be: 7200 146: [07:01:44] done 146: [07:01:44] ------------------------------------- 146: [07:01:44] Testing MMFF builder tools. 135: [07:01:44] done 135: [07:01:44] ------------------------------------- 135: [07:01:44] Test GitHub Issue #6958 135: [07:01:44] DEPRECATION WARNING: please use AtomPairGenerator 142/256 Test #135: testFingerprintGenerators .............. Passed 0.81 sec test 148 Start 148: testUFFForceFieldHelpers 148: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers 148: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF 148: Test timeout computed to be: 7200 146: [07:01:44] done 146: [07:01:44] ------------------------------------- 146: [07:01:44] Testing MMFF builder+minimization. 147: [07:01:44] ------------------------------------- 147: [07:01:44] Test MMFF multithreading 148: [07:01:44] ------------------------------------- 148: [07:01:44] Test UFF atom labels. 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Test UFF atom typer. 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Testing UFF builder tools. 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Testing UFF builder+minimization. 147: processing 147: launch :0 147: launch :1 147: launch :2 147: launch :3 147: launch :4 147: launch :5 147: launch :6 147: launch :7 147: launch :8 147: launch :9 147: launch :10 147: launch :11 147: launch :12 147: launch :13 147: launch :14 147: launch :15 147: launch :16 147: launch :17 147: launch :18 147: launch :19 147: launch :20 147: launch :21 147: launch :22 147: launch :23 146: [07:01:44] done 146: [07:01:44] ------------------------------------- 146: [07:01:44] Testing Issue239. 144: ........ 144: ---------------------------------------------------------------------- 144: Ran 8 tests in 0.052s 144: 144: OK 146: [07:01:44] done 146: [07:01:44] ------------------------------------- 146: [07:01:44] Testing calcEnergy with passed coords. 146: [07:01:44] done 146: [07:01:44] ------------------------------------- 146: [07:01:44] Testing calcGrad. 143/256 Test #144: pyMolTransforms ........................ Passed 0.39 sec test 149 Start 149: testCrystalForceField 149: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField 149: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF 149: Test timeout computed to be: 7200 146: [07:01:44] done 146: [07:01:44] ------------------------------------- 146: [07:01:44] Testing Issue242. 149: ------------------------------------- 149: Test CrystalFF torsional term. 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Testing UFF special cases. 148: [07:01:44] UFFTYPER: Unrecognized charge state for atom: 0 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Testing Issue239. 146: [07:01:44] done 146: [07:01:44] ------------------------------------- 146: [07:01:44] Testing github 308: crash during MMFF parameterization . 146: [07:01:44] ------------------------------------- 146: [07:01:44] Testing SFIssue1653802. 146: [07:01:44] done 146: [07:01:44] ------------------------------------- 146: [07:01:44] Testing SFIssue2378119. 146: [07:01:44] done 146: [07:01:44] ------------------------------------- 146: [07:01:44] Test MMFF force-field parameter getters. 146: [07:01:44] ------------------------------------- 146: [07:01:44] Test MMFF multithreading 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Testing calcEnergy with passed coords. 146: generating reference data 149: -------------------------------------------- 149: Finite difference Test of Planarity Contribs 147: done 147: [07:01:44] done 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Testing calcGrad. 144/256 Test #149: testCrystalForceField .................. Passed 0.15 sec test 150 Start 150: pyForceFieldHelpers 150: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py" 150: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap 150: Test timeout computed to be: 7200 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Testing SFIssue1653802. 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Testing SFIssue2378119. 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Test UFF force-field parameter getters. 148: [07:01:44] ------------------------------------- 148: [07:01:44] Testing handling missing parameters. 148: [07:01:44] UFFTYPER: Unrecognized hybridization for atom: 0 148: [07:01:44] UFFTYPER: Unrecognized atom type: Cu+1 (0) 145/256 Test #147: testMMFFForceFieldHelpersMultiThread ... Passed 0.37 sec test 151 Start 151: testDistGeomHelpers 151: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers 151: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers 151: Test timeout computed to be: 7200 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Testing SFIssue3009337. 148: [07:01:44] done 148: [07:01:44] ------------------------------------- 148: [07:01:44] Test UFF multithreading 148: generating reference data 151: Randomness seeded to: 2825186167 151: ------------------------------------- 151: 151: ------------------------------------- 151: 151: ------------------------------------- 151: 151: ------------------------------------- 151: 151: ------------------------------------- 151: 151: ------------------------------------- 151: 151: ------------------------------------- 151: 150: [07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: [07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: [07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: [07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: [07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: ..[07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: .[07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: .[07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 148: processing 148: launch :0 148: launch :1 148: launch :2 148: launch :3 148: [07:01:45] Rep: 0 Mol:0 148: [07:01:45] Rep: 0 Mol:2 148: [07:01:45] Rep: 0 Mol:1 148: [07:01:45] Rep: 0 Mol:5 148: [07:01:45] Rep: 0 Mol:9 148: [07:01:45] Rep: 0 Mol:3 148: [07:01:45] Rep: 0 Mol:4 148: [07:01:45] Rep: 0 Mol:13 148: [07:01:45] Rep: 0 Mol:17 146: processing 146: launch :0 146: [07:01:45] Rep: 0 Mol:0 148: [07:01:45] Rep: 0 Mol:8 148: [07:01:45] Rep: 0 Mol:7 148: [07:01:45] Rep: 0 Mol:11 148: [07:01:45] Rep: 0 Mol:12 148: [07:01:45] Rep: 0 Mol:15 148: [07:01:45] Rep: 0 Mol:16 146: launch :1 146: launch :2 146: launch :3 146: [07:01:45] Rep: 0 Mol:2 146: [07:01:45] Rep: 0 Mol:1 146: [07:01:45] Rep: 0 Mol:3 148: [07:01:45] Rep: 0 Mol:6 148: [07:01:45] Rep: 0 Mol:21 148: [07:01:45] Rep: 0 Mol:10 146: [07:01:45] Rep: 0 Mol:5 146: [07:01:45] Rep: 0 Mol:9 150: .[07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 148: [07:01:45] Rep: 0 Mol:25 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 146: [07:01:45] Rep: 0 Mol:4 148: [07:01:45] Rep: 0 Mol:20 148: [07:01:45] Rep: 0 Mol:29 148: [07:01:45] Rep: 0 Mol:19 148: [07:01:45] Rep: 0 Mol:23 148: [07:01:45] Rep: 0 Mol:27 148: [07:01:45] Rep: 0 Mol:24 148: [07:01:45] Rep: 0 Mol:28 146: [07:01:45] Rep: 0 Mol:13 146: [07:01:45] Rep: 0 Mol:8 148: [07:01:45] Rep: 0 Mol:31 146: [07:01:45] Rep: 0 Mol:6 146: [07:01:45] Rep: 0 Mol:17 146: [07:01:45] Rep: 0 Mol:10 150: .[07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 146: [07:01:45] Rep: 0 Mol:12 148: [07:01:45] Rep: 0 Mol:14 146: [07:01:45] Rep: 0 Mol:16 146: [07:01:45] Rep: 0 Mol:7 146: [07:01:45] Rep: 0 Mol:11 146: [07:01:45] Rep: 0 Mol:15 148: [07:01:45] Rep: 0 Mol:18 146: [07:01:45] Rep: 0 Mol:19 146: [07:01:45] Rep: 0 Mol:23 146: [07:01:45] Rep: 0 Mol:27 146: [07:01:45] Rep: 0 Mol:21 150: .[07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 146: [07:01:45] Rep: 0 Mol:20 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: .[07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: .[07:01:45] UFFTYPER: Unrecognized hybridization for atom: 0 150: [07:01:45] UFFTYPER: Unrecognized atom type: Cu+1 (0) 150: .[07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: [07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: [07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: [07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: [07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: .[07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: .[07:01:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: .[07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: [07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 150: ...[07:01:45] Molecule does not have explicit Hs. Consider calling AddHs() 148: [07:01:45] Rep: 0 Mol:22 148: [07:01:45] Rep: 0 Mol:26 146: [07:01:45] Rep: 0 Mol:24 146: [07:01:45] Rep: 0 Mol:31 146: [07:01:45] Rep: 0 Mol:28 146: [07:01:45] Rep: 0 Mol:25 146: [07:01:45] Rep: 0 Mol:14 148: [07:01:45] Rep: 0 Mol:30 146: [07:01:45] Rep: 0 Mol:29 150: ..... 150: ---------------------------------------------------------------------- 150: Ran 21 tests in 0.212s 150: 150: OK 146: [07:01:45] Rep: 0 Mol:18 146: [07:01:45] Rep: 0 Mol:22 146: [07:01:45] Rep: 0 Mol:26 146: [07:01:45] Rep: 0 Mol:30 146: [07:01:45] Rep: 20 Mol:3 146: [07:01:45] Rep: 20 Mol:7 146: [07:01:45] Rep: 20 Mol:11 146: [07:01:45] Rep: 20 Mol:15 146: [07:01:45] Rep: 20 Mol:19 146: [07:01:45] Rep: 20 Mol:23 146: [07:01:45] Rep: 20 Mol:27 146: [07:01:45] Rep: 20 Mol:31 146/256 Test #150: pyForceFieldHelpers .................... Passed 0.66 sec test 152 Start 152: distGeomHelpersCatch 152: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch 152: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers 152: Test timeout computed to be: 7200 146: [07:01:45] Rep: 20 Mol:0 146: [07:01:45] Rep: 20 Mol:4 146: [07:01:45] Rep: 20 Mol:8 146: [07:01:45] Rep: 20 Mol:12 146: [07:01:45] Rep: 20 Mol:16 146: [07:01:45] Rep: 20 Mol:20 146: [07:01:45] Rep: 20 Mol:24 146: [07:01:45] Rep: 20 Mol:28 152: Randomness seeded to: 2045752320 146: [07:01:45] Rep: 20 Mol:1 146: [07:01:45] Rep: 20 Mol:5 146: [07:01:45] Rep: 20 Mol:9 146: [07:01:45] Rep: 20 Mol:13 146: [07:01:45] Rep: 20 Mol:17 146: [07:01:45] Rep: 20 Mol:21 146: [07:01:45] Rep: 20 Mol:25 146: [07:01:45] Rep: 20 Mol:29 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 152: [07:01:45] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 152: [07:01:45] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [$([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)] 152: [07:01:45] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [$(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)] 152: [07:01:45] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [$(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)] 152: [07:01:45] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [$(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)] 152: [07:01:45] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [$(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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] 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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [!#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)] 152: [07:01:45] [!#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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: ----------- 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 152: [07:01:45] [$([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)] 152: [07:01:45] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [$(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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] 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)] 152: [07:01:45] 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)] 152: [07:01:45] [!#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)] 152: [07:01:45] [!#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)] 152: [07:01:45] [!#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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: ----------- 152: [07:01:45] [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)] 152: [07:01:45] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 152: [07:01:45] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 152: ----------- 152: ----------- 152: [07:01:45] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [$(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)] 152: [07:01:45] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [$(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)] 152: [07:01:45] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 152: [07:01:45] [$(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)] 152: [07:01:45] [$(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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 152: [07:01:45] [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)] 146: [07:01:45] Rep: 40 Mol:3 146: [07:01:45] Rep: 40 Mol:7 146: [07:01:45] Rep: 40 Mol:11 146: [07:01:45] Rep: 40 Mol:15 146: [07:01:45] Rep: 40 Mol:19 146: [07:01:45] Rep: 40 Mol:23 146: [07:01:45] Rep: 40 Mol:27 146: [07:01:45] Rep: 40 Mol:31 146: [07:01:45] Rep: 20 Mol:2 146: [07:01:45] Rep: 20 Mol:6 146: [07:01:45] Rep: 20 Mol:10 146: [07:01:45] Rep: 20 Mol:14 146: [07:01:45] Rep: 20 Mol:18 146: [07:01:45] Rep: 20 Mol:22 146: [07:01:45] Rep: 20 Mol:26 146: [07:01:45] Rep: 20 Mol:30 146: [07:01:45] Rep: 40 Mol:0 146: [07:01:45] Rep: 40 Mol:4 146: [07:01:45] Rep: 40 Mol:8 146: [07:01:45] Rep: 40 Mol:12 146: [07:01:45] Rep: 40 Mol:16 146: [07:01:45] Rep: 40 Mol:20 146: [07:01:45] Rep: 40 Mol:24 146: [07:01:45] Rep: 40 Mol:28 146: [07:01:45] Rep: 40 Mol:1 146: [07:01:45] Rep: 40 Mol:5 146: [07:01:45] Rep: 40 Mol:9 146: [07:01:45] Rep: 40 Mol:13 146: [07:01:45] Rep: 40 Mol:17 146: [07:01:45] Rep: 40 Mol:21 146: [07:01:45] Rep: 40 Mol:25 146: [07:01:45] Rep: 40 Mol:29 146: [07:01:45] Rep: 60 Mol:3 146: [07:01:45] Rep: 60 Mol:7 146: [07:01:45] Rep: 60 Mol:11 146: [07:01:45] Rep: 60 Mol:15 146: [07:01:45] Rep: 60 Mol:19 146: [07:01:45] Rep: 60 Mol:23 146: [07:01:45] Rep: 60 Mol:27 146: [07:01:45] Rep: 60 Mol:31 148: [07:01:45] Rep: 100 Mol:3 148: [07:01:45] Rep: 100 Mol:7 148: [07:01:45] Rep: 100 Mol:11 148: [07:01:45] Rep: 100 Mol:15 148: [07:01:45] Rep: 100 Mol:19 148: [07:01:45] Rep: 100 Mol:23 148: [07:01:45] Rep: 100 Mol:27 148: [07:01:45] Rep: 100 Mol:31 148: [07:01:45] Rep: 100 Mol:0 148: [07:01:45] Rep: 100 Mol:4 148: [07:01:45] Rep: 100 Mol:8 148: [07:01:45] Rep: 100 Mol:12 148: [07:01:45] Rep: 100 Mol:16 148: [07:01:45] Rep: 100 Mol:20 148: [07:01:45] Rep: 100 Mol:24 148: [07:01:45] Rep: 100 Mol:28 146: [07:01:45] Rep: 80 Mol:3 146: [07:01:45] Rep: 80 Mol:7 146: [07:01:45] Rep: 80 Mol:11 146: [07:01:45] Rep: 80 Mol:15 146: [07:01:45] Rep: 80 Mol:19 146: [07:01:45] Rep: 80 Mol:23 146: [07:01:45] Rep: 80 Mol:27 146: [07:01:45] Rep: 80 Mol:31 146: [07:01:45] Rep: 60 Mol:0 146: [07:01:45] Rep: 60 Mol:4 146: [07:01:45] Rep: 60 Mol:8 146: [07:01:45] Rep: 60 Mol:12 146: [07:01:45] Rep: 60 Mol:16 146: [07:01:45] [07:01:45] Rep: 40 Mol:2 146: [07:01:45] Rep: 40 Mol:6 146: [07:01:45] Rep: 40 Mol:10 146: [07:01:45] Rep: 40 Mol:14 146: [07:01:45] Rep: 40 Mol:18 146: [07:01:45] Rep: 40 Mol:22 146: [07:01:45] Rep: 40 Mol:26 146: [07:01:45] Rep: 40 Mol:30 146: Rep: 60 Mol:20 146: [07:01:45] Rep: 60 Mol:24 146: [07:01:45] Rep: 60 Mol:28 146: [07:01:45] Rep: 60 Mol:1 146: [07:01:45] Rep: 60 Mol:5 146: [07:01:45] Rep: 60 Mol:9 146: [07:01:45] Rep: 60 Mol:13 146: [07:01:45] Rep: 60 Mol:17 146: [07:01:45] Rep: 60 Mol:21 146: [07:01:45] Rep: 60 Mol:25 146: [07:01:45] Rep: 60 Mol:29 152: [07:01:45] UFFTYPER: Unrecognized atom type: Pt5+2 (1) 148: [07:01:45] Rep: 100 Mol:1 148: [07:01:45] Rep: 100 Mol:5 148: [07:01:45] Rep: 100 Mol:9 148: [07:01:45] Rep: 100 Mol:13 148: [07:01:45] Rep: 100 Mol:17 148: [07:01:45] Rep: 100 Mol:21 148: [07:01:45] Rep: 100 Mol:25 148: [07:01:45] Rep: 100 Mol:29 152: [07:01:45] UFFTYPER: Unrecognized charge state for atom: 1 152: [07:01:45] UFFTYPER: Unrecognized charge state for atom: 1 152: [07:01:45] UFFTYPER: Unrecognized charge state for atom: 1 146: [07:01:46] Rep: 80 Mol:1 146: [07:01:46] Rep: 80 Mol:5 146: [07:01:46] Rep: 80 Mol:9 146: [07:01:46] Rep: 80 Mol:13 146: [07:01:46] Rep: 80 Mol:17 146: [07:01:46] Rep: 80 Mol:21 146: [07:01:46] Rep: 80 Mol:25 146: [07:01:46] Rep: 80 Mol:29 146: [07:01:46] Rep: 80 Mol:0 146: [07:01:46] Rep: 80 Mol:4 146: [07:01:46] Rep: 80 Mol:8 146: [07:01:46] Rep: 80 Mol:12 146: [07:01:46] Rep: 80 Mol:16 146: [07:01:46] Rep: 80 Mol:20 146: [07:01:46] Rep: 80 Mol:24 146: [07:01:46] Rep: 80 Mol:28 146: [07:01:46] Rep: 60 Mol:2 146: [07:01:46] Rep: 60 Mol:6 146: [07:01:46] Rep: 60 Mol:10 146: [07:01:46] Rep: 60 Mol:14 146: [07:01:46] Rep: 60 Mol:18 146: [07:01:46] Rep: 60 Mol:22 146: [07:01:46] Rep: 60 Mol:26 146: [07:01:46] Rep: 60 Mol:30 152: [07:01:46] UFFTYPER: Unrecognized charge state for atom: 5 152: [07:01:46] UFFTYPER: Unrecognized charge state for atom: 5 148: [07:01:46] Rep: 100 Mol:2 148: [07:01:46] Rep: 100 Mol:6 148: [07:01:46] Rep: 100 Mol:10 148: [07:01:46] Rep: 100 Mol:14 148: [07:01:46] Rep: 100 Mol:18 148: [07:01:46] Rep: 100 Mol:22 148: [07:01:46] Rep: 100 Mol:26 148: [07:01:46] Rep: 100 Mol:30 152: [07:01:46] UFFTYPER: Unrecognized charge state for atom: 5 146: [07:01:46] Rep: 80 Mol:2 146: [07:01:46] Rep: 80 Mol:6 146: [07:01:46] Rep: 80 Mol:10 146: [07:01:46] Rep: 80 Mol:14 146: [07:01:46] Rep: 80 Mol:18 146: [07:01:46] Rep: 80 Mol:22 146: [07:01:46] Rep: 80 Mol:26 146: [07:01:46] Rep: 80 Mol:30 152: [07:01:46] UFFTYPER: Unrecognized charge state for atom: 6 152: [07:01:46] UFFTYPER: Unrecognized charge state for atom: 6 152: [07:01:46] UFFTYPER: Unrecognized charge state for atom: 6 146: [07:01:46] done 146: [07:01:46] ------------------------------------- 146: [07:01:46] Test MMFF multithreading2 148: [07:01:46] done 148: [07:01:46] ------------------------------------- 148: [07:01:46] Test UFF multithreading2 133: [07:01:46] done 133: [07:01:46] ------------------------------------- 133: [07:01:46] Test GitHub Issue 258: Bad pattern fingerprint for query molecule 133: [07:01:46] done 133: [07:01:46] ------------------------------------- 133: [07:01:46] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP. 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] done 133: [07:01:46] ------------------------------------- 133: [07:01:46] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints 133: [07:01:46] done 133: [07:01:46] ------------------------------------- 133: [07:01:46] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] done 133: [07:01:46] ------------------------------------- 133: [07:01:46] Test unfolded version of RDKFP 133: [07:01:46] ------------------------------------- 133: [07:01:46] Test bitinfo of RDKFP 133: 562: [ 2 ], 133: 709: [ 0 1 ], 133: 1118: [ 0 1 2 ], 133: 1183: [ 1 2 ], 133: 1233: [ 0 1 2 ], 133: 1308: [ 0 ], [ 1 ], 133: 1339: [ 2 ], 133: 1728: [ 1 2 ], 133: 1772: [ 0 ], [ 1 ], 133: 1813: [ 0 1 ], 133: ------------ 133: [07:01:46] ------------------------------------- 133: [07:01:46] Single atoms setting radius 1 bits in Morgan fingerprints 133: [07:01:46] done 133: [07:01:46] ------------------------------------- 133: [07:01:46] Github #879: Pattern fingerprint should set bits for single-atom fragments. 133: [07:01:46] done 133: [07:01:46] ------------------------------------- 133: [07:01:46] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms 133: [07:01:46] done 133: [07:01:46] ------------------------------------- 133: [07:01:46] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False 133: [07:01:46] done 133: [07:01:46] ------------------------------------- 133: [07:01:46] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use AtomPairGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] DEPRECATION WARNING: please use TopologicalTorsionGenerator 133: [07:01:46] done 133: [07:01:46] ------------------------------------- 133: [07:01:46] Github #2115: BitInfo not complete for RDKFingerprint 133: [07:01:46] done 133: [07:01:46] ------------------------------------- 133: [07:01:46] Github #3723: Fingerprint crash for mols with Zero order bonds 133: [07:01:46] done 147/256 Test #133: testFingerprints ....................... Passed 3.88 sec test 153 Start 153: pyDistGeomHelpers 153: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py" 153: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap 153: Test timeout computed to be: 7200 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: .[07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: ..[07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: .[07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: ..[07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 152: [07:01:47] UFFTYPER: Unrecognized charge state for atom: 1 153: .[07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 152: [07:01:47] UFFTYPER: Unrecognized charge state for atom: 1 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 152: [07:01:47] UFFTYPER: Unrecognized charge state for atom: 1 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 152: [07:01:47] UFFTYPER: Unrecognized charge state for atom: 5 152: [07:01:47] UFFTYPER: Unrecognized charge state for atom: 5 152: [07:01:47] UFFTYPER: Unrecognized charge state for atom: 5 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 146: [07:01:47] done 146: [07:01:47] ------------------------------------- 146: [07:01:47] Test MMFF multithreading3 152: [07:01:47] UFFTYPER: Unrecognized charge state for atom: 6 152: [07:01:47] UFFTYPER: Unrecognized charge state for atom: 6 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 152: [07:01:47] UFFTYPER: Unrecognized charge state for atom: 6 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:47] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 148: [07:01:48] done 148: [07:01:48] ------------------------------------- 148: [07:01:48] Test UFF multithreading3 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: .[07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 146: [07:01:48] done 146: [07:01:48] ------------------------------------- 146: [07:01:48] Testing github 162: Incorrect SMILES after MMFF parameterization . 146: [07:01:48] done 146: [07:01:48] ------------------------------------- 146: [07:01:48] Testing github 224: crash during MMFF parameterization . 146: [07:01:48] done 146: [07:01:48] ------------------------------------- 146: [07:01:48] Testing github6728: crash due to missing stretch-bend params. 148/256 Test #146: testMMFFForceFieldHelpers .............. Passed 4.50 sec test 154 Start 154: testMolAlign 154: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/testMolAlign 154: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign 154: Test timeout computed to be: 7200 153: [07:01:48] Molecule does not have explicit Hs. Consider calling AddHs() 152: [07:01:48] UFFTYPER: Warning: hybridization set to SP3 for atom 6 154: *********************************************************** 154: Testing MolAlign 154: --------------------------------- 154: test1MolAlign 154: 154: --------------------------------- 154: test1GetBestRMS 154: 154: --------------------------------- 154: test1MolWithQueryAlign 154: 154: --------------------------------- 154: test2AtomMap 154: 154: --------------------------------- 154: test3Weights 154: 154: --------------------------------- 154: testIssue241 154: 154: *********************************************************** 149/256 Test #154: testMolAlign ........................... Passed 0.11 sec test 155 Start 155: testO3AAlign 155: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/testO3AAlign 155: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign 155: Test timeout computed to be: 7200 152: [07:01:49] UFFTYPER: Warning: hybridization set to SP3 for atom 6 153: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 152: [07:01:49] UFFTYPER: Warning: hybridization set to SP3 for atom 6 152: [07:01:49] UFFTYPER: Warning: hybridization set to SP3 for atom 11 152: [07:01:49] UFFTYPER: Warning: hybridization set to SP3 for atom 11 152: [07:01:49] UFFTYPER: Warning: hybridization set to SP3 for atom 11 152: [07:01:49] UFFTYPER: Warning: hybridization set to SP3 for atom 6 152: [07:01:49] UFFTYPER: Warning: hybridization set to SP3 for atom 6 152: [07:01:49] UFFTYPER: Warning: hybridization set to SP3 for atom 6 151: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 151: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 151: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 151: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 151: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 151: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 151: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 151: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 152: [07:01:49] UFFTYPER: Warning: hybridization set to SP3 for atom 11 152: [07:01:49] UFFTYPER: Warning: hybridization set to SP3 for atom 11 152: [07:01:49] UFFTYPER: Warning: hybridization set to SP3 for atom 11 153: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 151: building molecules 153: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 151: generating reference data 148: [07:01:49] done 148: [07:01:49] ------------------------------------- 148: [07:01:49] Testing GitHubIssue62. 148: [07:01:49] beta-lactam 39.6387 148: [07:01:49] cyclopropanone 174.698 148: [07:01:49] aziridine 337.986 148: [07:01:49] aziridinone 115.248 148: [07:01:49] isobutene 2.48217 148: [07:01:49] acetone 1.32145 148: [07:01:49] cyclopentanone 10.1648 148: [07:01:49] cyclopropene 99.4921 148: [07:01:49] cyclobutene 41.0156 148: [07:01:49] cyclopropane 267.236 148: [07:01:49] gamma-lactam 15.7471 148: [07:01:49] trans-2,3-diphenylcyclopropan-1-one 203.398 148: [07:01:49] cis-2,3-diphenylcyclopropan-1-one 206.852 148: [07:01:49] 2,3-diphenylcyclopropa-2-en-1-one 20.0443 148: [07:01:49] cyclopropylidencyclobutane 218.879 148: [07:01:49] diphenylmethylidencyclobutane 79.6139 148: [07:01:49] done 148: [07:01:49] ------------------------------------- 148: [07:01:49] Test Github Issue 613: UFF Atom type not properly assigned to lanthanides. 148: [07:01:49] done 148: [07:01:49] ------------------------------------- 148: [07:01:49] Test square planar complexes 148: [07:01:49] done 148: [07:01:49] ------------------------------------- 148: [07:01:49] Test octahedral complexes 148: [07:01:49] done 150/256 Test #148: testUFFForceFieldHelpers ............... Passed 5.14 sec test 156 Start 156: molAlignCatchTest 156: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/molAlignCatchTest 156: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign 156: Test timeout computed to be: 7200 156: Randomness seeded to: 798092127 156: 47111372 153: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 156: 34166023 153: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:49] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:50] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:50] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:50] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:50] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:50] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:50] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:50] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:01:50] Molecule does not have explicit Hs. Consider calling AddHs() 151: validating reference data 156: 1384854669 153: .[07:01:51] Molecule does not have explicit Hs. Consider calling AddHs() 155: *********************************************************** 155: Testing O3AAlign 155: --------------------------------- 155: testMMFFO3A 155: 155: --------------------------------- 155: testMMFFO3A with pre-computed dmat and MolHistogram 155: 155: --------------------------------- 155: testMMFFO3A with constraints 155: 155: --------------------------------- 155: testMMFFO3A with variable weight constraints followed by local-only optimization 155: 155: --------------------------------- 155: testCrippenO3A 155: 155: --------------------------------- 155: testCrippenO3A with pre-computed dmat and MolHistogram 155: 155: --------------------------------- 155: testCrippenO3A with constraints 155: 155: --------------------------------- 155: testCrippenO3A with variable weight constraints followed by local-only optimization 155: 155: --------------------------------- 155: testMMFFO3A multithreading 155: 155: generating reference data 156: 504740282 156: =============================================================================== 156: All tests passed (91 assertions in 4 test cases) 156: 151/256 Test #156: molAlignCatchTest ...................... Passed 2.06 sec test 157 Start 157: pyMolAlign 157: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolAlign/Wrap/testMolAlign.py" 157: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap 157: Test timeout computed to be: 7200 151: processing 151: launch :0 151: launch :1 151: launch :2 151: launch :3 155: processing 155: launch :0 155: launch :1 155: launch :2 155: launch :3 157: .............[07:02:05] Molecule does not have explicit Hs. Consider calling AddHs() 157: [07:02:05] Molecule does not have explicit Hs. Consider calling AddHs() 157: [07:02:05] Molecule does not have explicit Hs. Consider calling AddHs() 157: [07:02:05] Molecule does not have explicit Hs. Consider calling AddHs() 157: [07:02:05] Molecule does not have explicit Hs. Consider calling AddHs() 157: [07:02:05] Molecule does not have explicit Hs. Consider calling AddHs() 157: [07:02:05] Molecule does not have explicit Hs. Consider calling AddHs() 157: [07:02:05] Molecule does not have explicit Hs. Consider calling AddHs() 157: [07:02:05] Molecule does not have explicit Hs. Consider calling AddHs() 157: [07:02:05] Molecule does not have explicit Hs. Consider calling AddHs() 157: ...[07:02:08] Molecule does not have explicit Hs. Consider calling AddHs() 157: [07:02:08] Molecule does not have explicit Hs. Consider calling AddHs() 157: [07:02:08] Molecule does not have explicit Hs. Consider calling AddHs() 157: ... 157: ---------------------------------------------------------------------- 157: Ran 19 tests in 16.324s 157: 157: OK 157: Testing MolAlign Wrappers 152/256 Test #157: pyMolAlign ............................. Passed 16.71 sec test 158 Start 158: testFeatures 158: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures 158: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures 158: Test timeout computed to be: 7200 158: [07:02:08] ------------------------------------- 158: [07:02:08] AtomType parser testing. 158: [07:02:08] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103] 158: [07:02:08] SMARTS Parse Error: check for mistakes around position 40: 158: [07:02:08] ,O,$([S])_101,$([N,O)_102])_103] 158: [07:02:08] ~~~~~~~~~~~~~~~~~~~~^ 158: [07:02:08] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]' 158: [07:02:08] done 158: [07:02:08] ------------------------------------- 158: [07:02:08] FeatureDefinition parser testing. 158: [07:02:08] done 158: [07:02:08] ------------------------------------- 158: [07:02:08] Test pulling feat defs from a string. 158: [07:02:08] done 158: [07:02:08] ------------------------------------- 158: [07:02:08] FeatureDef functionality testing. 158: [07:02:08] done 158: [07:02:08] ------------------------------------- 158: [07:02:08] FeatureFactory testing. 158: [07:02:08] 1 158: [07:02:08] 2 158: [07:02:08] 3 158: [07:02:08] 4 158: [07:02:08] 5 158: [07:02:08] 6 158: [07:02:08] done 158: [07:02:08] ------------------------------------- 158: [07:02:08] Feature Location testing. 158: [07:02:08] done 158: [07:02:08] ------------------------------------- 158: [07:02:08] Test building a FeatureFactory from a file 158: [07:02:08] done 158: [07:02:08] ------------------------------------- 158: [07:02:08] Testing Issue 224. 158: [07:02:08] done 158: [07:02:08] ------------------------------------- 158: [07:02:08] Testing Issue 225. 158: [07:02:08] done 158: [07:02:08] ------------------------------------- 158: [07:02:08] Test Issue346 158: [07:02:08] done 158: [07:02:08] ------------------------------------- 158: [07:02:08] Test Issue347 158: [07:02:08] done 158: [07:02:08] ------------------------------------- 158: [07:02:08] Testing Issue 348. 158: [07:02:08] SMARTS Parse Error: syntax error while parsing: [C[C] 158: [07:02:08] SMARTS Parse Error: check for mistakes around position 3: 158: [07:02:08] [C[C] 158: [07:02:08] ~~^ 158: [07:02:08] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]' 158: [07:02:08] ------------------------------------- 158: [07:02:08] Testing Nested AtomType definitions. 158: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])] 158: [07:02:08] ------------------------------------- 158: [07:02:08] Testing Github Issue #252: crash when calling getPos() with no conformer. 158: [07:02:08] expect a precondition failure message below 158: [07:02:08] 158: 158: **** 158: Pre-condition Violation 158: molecule has no conformers 158: Violation occurred on line 36 in file ./Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp 158: Failed Expression: dp_mol->getNumConformers() 158: ---------- 158: Stacktrace: 158: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 158: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 158: 2# RDKit::MolChemicalFeature::getPos(int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1 158: 3# RDKit::MolChemicalFeature::getPos() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1 158: 4# 0x0000000000011820 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures 158: 5# 0x000000000000ACF3 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures 158: 6# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 158: 7# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 158: 8# 0x000000000000AE31 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures 158: ---------- 158: **** 158: 158: [07:02:08] Done 158: [07:02:08] ------------------------------------- 158: [07:02:08] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol() 158: [07:02:08] done 153/256 Test #158: testFeatures ........................... Passed 0.03 sec test 159 Start 159: pyChemicalFeatures 159: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py" 159: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap 159: Test timeout computed to be: 7200 159: ......[07:02:08] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ] 159: [07:02:08] SMARTS Parse Error: check for mistakes around position 8: 159: [07:02:08] [N,O;!HQ] 159: [07:02:08] ~~~~~~~^ 159: [07:02:08] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]' 159: ... 159: ---------------------------------------------------------------------- 159: Ran 9 tests in 0.043s 159: 159: OK 154/256 Test #159: pyChemicalFeatures ..................... Passed 0.27 sec test 160 Start 160: testShapeHelpers 160: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/testShapeHelpers 160: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers 160: Test timeout computed to be: 7200 160: Randomness seeded to: 2096252079 160: =============================================================================== 160: All tests passed (16 assertions in 3 test cases) 160: 155/256 Test #160: testShapeHelpers ....................... Passed 0.06 sec test 161 Start 161: pyShapeHelpers 161: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py" 161: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap 161: Test timeout computed to be: 7200 161: . 161: ---------------------------------------------------------------------- 161: Ran 1 test in 0.082s 161: 161: OK 161: Testing Shape Helpers wrapper 156/256 Test #161: pyShapeHelpers ......................... Passed 0.59 sec test 162 Start 162: testMolCatalog 162: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/testMolCatalog 162: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog 162: Test timeout computed to be: 7200 157/256 Test #162: testMolCatalog ......................... Passed 0.02 sec test 163 Start 163: pyMolCatalog 163: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolCatalog/Wrap/rough_test.py" 163: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap 163: Test timeout computed to be: 7200 163: . 163: ---------------------------------------------------------------------- 163: Ran 1 test in 0.009s 163: 163: OK 158/256 Test #163: pyMolCatalog ........................... Passed 0.24 sec test 164 Start 164: testGaussianShape 164: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GaussianShape/testGaussianShape 164: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GaussianShape 164: Test timeout computed to be: 7200 164: Randomness seeded to: 2013122804 164: generating reference data 153: ..........[07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: .[07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: .[07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: .[07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 153: [07:02:10] Molecule does not have explicit Hs. Consider calling AddHs() 155: --------------------------------- 155: test O3A multithreading bug 155: 155: --------------------------------- 155: testCrippenO3A multithreading 155: 155: generating reference data 155: processing 155: launch :0 155: launch :1 155: launch :2 155: launch :3 153: ...... 153: ---------------------------------------------------------------------- 153: Ran 28 tests in 31.172s 153: 153: OK 159/256 Test #153: pyDistGeomHelpers ...................... Passed 31.71 sec test 165 Start 165: pyShapeAlign 165: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/GaussianShape/Wrap/test_rdgaussian_shape.py" 165: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GaussianShape/Wrap 165: Test timeout computed to be: 7200 165: .......... 165: ---------------------------------------------------------------------- 165: Ran 10 tests in 0.598s 165: 165: OK 160/256 Test #165: pyShapeAlign ........................... Passed 0.82 sec test 166 Start 166: moldraw2DTest1 166: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTest1 166: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D 166: Test timeout computed to be: 7200 166: ----------------- Test 1 166: file test1_1.svg gave hash 1778824116U not the expected 1617157703U 166: file test1_2.svg gave hash 4194425583U not the expected 1799670018U 166: file test1_3.svg gave hash 2250867576U not the expected 2382509631U 166: file test1_4.svg gave hash 752076607U not the expected 4252277495U 166: file test1_5.svg gave hash 98043951U not the expected 2811480876U 166: file test1_6.svg gave hash 600058515U not the expected 2635907956U 166: file test1_7.svg gave hash 3912772217U not the expected 3677608850U 166: Done 166: ----------------- Test 2 166: file test2_1.png gave hash 2875097511U not the expected 638584804U 166: file test2_2.png gave hash 3844902464U not the expected 610424244U 166: Done 166: ----------------- Test 4 166: file test4_1.png gave hash 678702572U not the expected 3993974247U 166: file test4_1.svg gave hash 2275116301U not the expected 4157966746U 166: Done 166: ----------------- Test 5 166: file test5_1.png gave hash 2726685703U not the expected 571291290U 166: file test5_1.svg gave hash 1295559538U not the expected 4074479420U 166: file test5_2.png gave hash 3011297239U not the expected 97265124U 166: file test5_3.png gave hash 3364715502U not the expected 606188176U 166: Done 166: ----------------- Test 6 (atom labels) 166: file test6_1.svg gave hash 3280384589U not the expected 3623418420U 166: file test6_2.svg gave hash 501263637U not the expected 3885689795U 166: file test6_3.svg gave hash 2009537997U not the expected 2753286335U 166: Done 166: ----------------- Test 7 (backgrounds) 166: file test7_1.svg gave hash 843981570U not the expected 1967202587U 166: file test7_1.png gave hash 546078341U not the expected 1322246680U 166: file test7_2.svg gave hash 282341648U not the expected 4217504234U 166: file test7_2.png gave hash 3591593369U not the expected 1499012715U 166: Done 166: ----------------- Test8: PrepareMolDrawing 166: Done 166: ----------------- Test multi-threaded drawing 166: reading molecules 166: generating reference drawings 166: processing 166: launch :0 166: launch :1 166: launch :2 166: launch :3 166: Done 166: ----------------- Test Github #781: Rendering single-atom molecules 166: file testGithub781_3.svg gave hash 1424857602U not the expected 1463918610U 166: Done 166: ----------------- Test 3 166: file test3_1.png gave hash 3863778954U not the expected 675908852U 166: file test3_1.svg gave hash 1328776415U not the expected 586189704U 166: file test3_2.png gave hash 2617596783U not the expected 2452584093U 166: file test3_2.svg gave hash 1481229521U not the expected 1700916148U 166: file test3_3.png gave hash 458476362U not the expected 1907006999U 166: file test3_3.svg gave hash 2929562003U not the expected 1375178959U 166: file test3_4.png gave hash 3789144430U not the expected 2305641511U 166: file test3_4.svg gave hash 587248216U not the expected 187720898U 166: file test3_5.png gave hash 1001738653U not the expected 3842605920U 166: file test3_5.svg gave hash 3715989801U not the expected 300865579U 166: file test3_6.png gave hash 3878427948U not the expected 662622011U 166: file test3_6.svg gave hash 1726487728U not the expected 729637096U 166: file test3_7.png gave hash 881581681U not the expected 469729412U 166: file test3_7.svg gave hash 3296007169U not the expected 2700118064U 166: Done 166: ----------------- Test Github774: upside-down drawings 166: file test774_1.png gave hash 1218149718U not the expected 428322245U 166: file test774_1.svg gave hash 2253586694U not the expected 1108618931U 166: file test774_2.png gave hash 3877763111U not the expected 4095288521U 166: file test774_2.svg gave hash 439562358U not the expected 577567569U 166: Done 166: ----------------- Test 9 (molecule legends) 166: file test9_1.svg gave hash 1315528346U not the expected 1484349178U 166: Done 166: ----------------- Test Github852: Lines used to wedge bonds are too thick 166: file test852_1.png gave hash 1318065575U not the expected 271517011U 166: file test852_1.svg gave hash 508042113U not the expected 2306783336U 166: file test852_2.png gave hash 445427859U not the expected 967452082U 166: file test852_2.svg gave hash 3180584172U not the expected 936665195U 166: ---------------- 166: file test852_2a.svg gave hash 610090043U not the expected 3499587182U 166: ---------------- 166: file test852_2b.svg gave hash 612009757U not the expected 2141021605U 166: ---------------- 166: file test852_2c.svg gave hash 1810307389U not the expected 465009830U 166: ---------------- 166: file test852_2d.svg gave hash 2006622378U not the expected 714117851U 166: Done 166: ----------------- Test Github860: Atom symbols in wrong order if bond comes from right 166: file test860_1.png gave hash 1010068492U not the expected 2835587240U 166: file test860_1.svg gave hash 718471937U not the expected 4071399203U 166: file test860_2.png gave hash 756338375U not the expected 1116015475U 166: file test860_2.svg gave hash 4123557700U not the expected 3926063275U 166: file test860_3.png gave hash 21925790U not the expected 1872467868U 166: file test860_3.svg gave hash 1139264144U not the expected 2583192182U 166: Done 166: ----------------- Test Github #910: ugly coordinates generated for peptide chains 166: file test910_1.svg gave hash 285277080U not the expected 2101353772U 166: file test910_2.svg gave hash 2184604098U not the expected 3090433026U 166: Done 166: ----------------- Test Github #932: mistake in SVG for wedged bonds 166: Done 166: ----------------- Test Github #953: default color should not be cyan 166: Done 166: ----------------- Test Github #983: wedged bonds between chiral centers drawn improperly 166: file test983_1.svg gave hash 977581182U not the expected 2373378601U 166: file test983_2.svg gave hash 1176297024U not the expected 2571223561U 166: Done 166: ----------------- Test Deuterium, Tritium 166: Done 166: ----------------- Test crossed bonds 166: file crossed_bonds.svg gave hash 2357548724U not the expected 3239666213U 166: Done 166: ----------------- Testing drawing a second molecule 166: Done 166: ----------------- Testing drawing a grid of molecules 166: file test11_1.svg gave hash 1107507077U not the expected 3509048284U 166: file test11_2.svg gave hash 1460567402U not the expected 2398046517U 166: Done 166: ----------------- Testing drawMolecules 166: file test12_1.svg gave hash 4207025819U not the expected 3779248118U 166: file test12_5.svg gave hash 2946072280U not the expected 822651752U 166: file test12_3.svg gave hash 445413354U not the expected 2546399002U 166: file test12_4.svg gave hash 445413354U not the expected 2546399002U 166: file test12_2.svg gave hash 2824658944U not the expected 3077976371U 166: Done 166: ----------------- Test JSON Configuration 166: file test13_1.svg gave hash 3001826499U not the expected 3606927863U 166: Done 166: ----------------- Testing github 1090: escape html characters in SVG output 166: file testGithub1090_1.svg gave hash 3058378332U not the expected 874921274U 166: Done 166: ----------------- Testing github 1035: overflow bug in SVG color generation 166: Done 166: ----------------- Testing github 1271: MolDraw2D not drawing anything for molecules aligned with the X or Y axes 166: Done 166: ----------------- Testing github 1322: add custom atom labels 166: Done 166: ----------------- Testing use of a black & white palette 166: file test14_1.svg gave hash 2593240709U not the expected 3999745197U 166: file test14_2.svg gave hash 1180313442U not the expected 1367250174U 166: Done 166: ----------------- Testing use of continuous highlighting with drawMolecules 166: file test15_1.svg gave hash 1810898082U not the expected 719545325U 166: file test15_2.svg gave hash 3491830556U not the expected 918926990U 166: Done 166: ----------------- Test 17 - Testing maximum font size 166: file test17_1.svg gave hash 2260184712U not the expected 75329691U 166: file test17_2.svg gave hash 659077001U not the expected 2699803606U 166: file test17_3.svg gave hash 1926066932U not the expected 2996396838U 166: file test17_4.svg gave hash 4133942323U not the expected 2390212603U 166: Done 166: ----------------- Testing github 1829: crash when drawMolecules() is called with an empty list 166: Done 166: ----------------- Testing use of fixed scales for drawing. 166: file test18_1.svg gave hash 3803337242U not the expected 1704156856U 166: file test18_2.svg gave hash 1162085066U not the expected 597526679U 166: file test18_3.svg gave hash 1966017028U not the expected 3425044116U 166: file test18_4.svg gave hash 3233967183U not the expected 1519252882U 166: file test18_5.svg gave hash 766089485U not the expected 486224214U 166: file test18_6.svg gave hash 2159164255U not the expected 3016814772U 166: file test18_7.svg gave hash 2984965086U not the expected 926168958U 166: Done 166: ----------------- Testing rotation of 2D drawing. 166: file test19_1.svg gave hash 407580005U not the expected 4060393720U 166: file test19_2.svg gave hash 2240088107U not the expected 4171949096U 166: Done 166: ----------------- Testing inclusion of molecule metadata 166: file test16_1.svg gave hash 1487161020U not the expected 62134348U 166: Done 166: ----------------- Testing Github2063: Drawing racemic bond stereo as crossed bonds should be the default 166: file testGithub2063_1.svg gave hash 992781977U not the expected 1908318348U 166: file testGithub2063_2.svg gave hash 992781977U not the expected 1908318348U 166: Done 166: ----------------- Testing Github2151: MolDraw2D: line width should be controlled by MolDrawOptions 166: file testGithub2151_1.svg gave hash 774202062U not the expected 4119581143U 166: file testGithub2151_2.svg gave hash 2862596496U not the expected 425960913U 166: Done 166: ----------------- Testing testGithub2762: MolDraw2D: HCl and ethane should be drawn 166: Done 166: ----------------- Testing testGithub2931: multi-coloured molecule highlights. 166: file testGithub2931_1.svg gave hash 1667215643U not the expected 3635831631U 166: file testGithub2931_2.svg gave hash 1220957292U not the expected 2281185190U 166: file testGithub2931_3.svg gave hash 3335033438U not the expected 2885834646U 166: file testGithub2931_4.svg gave hash 3314950045U not the expected 709559976U 166: Done 166: ----------------- Testing annotation of 2D Drawing. 166: file test20_1.png gave hash 1576096751U not the expected 200877868U 166: file test20_1.svg gave hash 2129450275U not the expected 4276517022U 166: file test20_2.png gave hash 4111304673U not the expected 1651164846U 166: file test20_2.svg gave hash 2507367286U not the expected 2037634551U 166: file test20_3.png gave hash 4156428662U not the expected 1463603076U 166: file test20_3.svg gave hash 2727796707U not the expected 2689385188U 166: file test20_4.png gave hash 720771811U not the expected 1714613205U 166: file test20_4.svg gave hash 3418327955U not the expected 4113839132U 166: Done 166: ----------------- Test 21 - different font 166: file test21_1.svg gave hash 125298691U not the expected 390968884U 166: [07:02:30] Font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/No_Such_Font_File.ttf not found. 166: [07:02:30] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 166: file test21_2.svg gave hash 1375465863U not the expected 3050176664U 166: Done 166: ----------------- Test 22 - draw explicit methyls. 166: file test22_1.svg gave hash 3426768357U not the expected 3688394300U 166: file test22_2.svg gave hash 1936546203U not the expected 1963311622U 166: Done 166: ----------------- Testing drawing of legends. 166: Done 166: ----------------- Test Github 3305 - change and scale line widths. 166: file testGithub3305_1.svg gave hash 3426768357U not the expected 3688394300U 166: file testGithub3305_2.svg gave hash 193465986U not the expected 3172298658U 166: file testGithub3305_3.svg gave hash 3399005512U not the expected 30441258U 166: file testGithub3305_1.png gave hash 258840296U not the expected 3303791649U 166: file testGithub3305_2.png gave hash 3322760251U not the expected 4003267433U 166: file testGithub3305_3.png gave hash 1880359457U not the expected 273338209U 166: file testGithub3305_4.png gave hash 1001738653U not the expected 3842605920U 166: file testGithub3305_4.svg gave hash 3715989801U not the expected 300865579U 166: file testGithub3305_5.png gave hash 1072090459U not the expected 151279576U 166: file testGithub3305_5.svg gave hash 546612276U not the expected 1335449325U 166: file testGithub3305_6.png gave hash 3167179060U not the expected 613418460U 166: file testGithub3305_6.svg gave hash 1796737045U not the expected 4242832627U 166: file testGithub3305_7.png gave hash 3278029265U not the expected 2835747678U 166: file testGithub3305_7.svg gave hash 1522625404U not the expected 1080046861U 166: Done 166: ----------------- Test Github 3391 - maxFontSize interacting badly with DrawMolecules. 166: file testGithub3391_2.svg gave hash 1939065219U not the expected 790336526U 166: file testGithub3391_3.svg gave hash 3132108707U not the expected 1779122782U 166: Done 166: ----------------- Test Github 4156 - bad scale for radicals in grid 166: file testGithub4156_1.svg gave hash 1273503396U not the expected 4027310579U 166: file testGithub4156_2.svg gave hash 811786338U not the expected 3915842326U 166: Done 166: ----------------- Test JSON atomColourPalette 166: file test23_1.svg gave hash 724753536U not the expected 244577595U 166: Done 166: ----------------- Test draw aromatic OR queries 166: Done 166: ----------------- Test AND queries 166: Done 161/256 Test #166: moldraw2DTest1 ......................... Passed 10.77 sec test 167 Start 167: moldraw2DTestCatch 167: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 167: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D 167: Test timeout computed to be: 7200 167: Randomness seeded to: 499797212 167: file testAtomTags_1.svg gave hash 3542197767U not the expected 3187798125U 167: file testAtomTags_2.svg gave hash 1648758889U not the expected 822910240U 167: file testAtomTags_3.svg gave hash 138975893U not the expected 2244078420U 167: file contourMol_1.svg gave hash 1749387692U not the expected 3634867913U 167: file contourMol_2.svg gave hash 2065423497U not the expected 1815941817U 167: file contourMol_3.svg gave hash 3458913990U not the expected 2579392727U 167: file contourMol_4.svg gave hash 3208914131U not the expected 2914799663U 167: file contourMol_5.svg gave hash 945117169U not the expected 3792684719U 167: file contourMol_6.svg gave hash 1450249302U not the expected 1743220181U 167: file contourMol_7.svg gave hash 4053301088U not the expected 2221193310U 167: file testDativeBonds_2.svg gave hash 3165184388U not the expected 1091476418U 167: file testDativeBonds_2a.svg gave hash 1709593866U not the expected 2463158006U 167: file testDativeBonds_2b.svg gave hash 3846361527U not the expected 3095643972U 167: file testDativeBonds_2c.svg gave hash 349056704U not the expected 1745138239U 167: file testDativeBonds_2d.svg gave hash 132621188U not the expected 3279423301U 167: file testKekulizationProblems_1.svg gave hash 1317427453U not the expected 3457752008U 167: file testAtomBondIndices_1.svg gave hash 616201599U not the expected 2702803018U 167: file testAtomBondIndices_2.svg gave hash 1572186777U not the expected 1564350363U 167: file testAtomBondIndices_3.svg gave hash 2607897548U not the expected 1346662812U 167: file testAtomBondIndices_4.svg gave hash 1781316380U not the expected 662361891U 167: file testAtomBondIndices_5.svg gave hash 793323137U not the expected 1502163147U 167: file testAtomBondIndices_6.svg gave hash 698046127U not the expected 1659568104U 167: file testGithub3226_1.svg gave hash 22593684U not the expected 831257877U 167: file testGithub3226_1.png gave hash 1357885458U not the expected 3165135374U 167: file testGithub3226_2.svg gave hash 4138091576U not the expected 3517325227U 167: file testGithub3226_2.png gave hash 1792532246U not the expected 643975155U 167: file testGithub3226_3.svg gave hash 3404095735U not the expected 3609721552U 167: file testGithub3226_3.png gave hash 82525144U not the expected 3119571946U 167: file testPNGMetadata_1.png gave hash 450774848U not the expected 997629701U 167: file testPNGMetadata_2.png gave hash 2668414625U not the expected 1797853056U 167: file testGithub3369_1.svg gave hash 3375138088U not the expected 1227653771U 167: file testIncludeRadicals_1a.svg gave hash 1368422441U not the expected 1829641340U 167: file testLegendsAndDrawing-1.svg gave hash 425644958U not the expected 3563802758U 167: file testGithub3577-1.svg gave hash 3105871660U not the expected 763116213U 167: [07:02:30] Font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/ComicNeue-Regular.ttf not found. 167: [07:02:30] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 167: file testHandDrawn-1.svg gave hash 4074969183U not the expected 2253418236U 167: [07:02:30] Font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/ComicNeue-Regular.ttf not found. 167: [07:02:30] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 167: file testHandDrawn-1.png gave hash 1937886375U not the expected 3894611804U 167: [07:02:30] Font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/ComicNeue-Regular.ttf not found. 167: [07:02:30] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 167: file testHandDrawn-2.svg gave hash 82393339U not the expected 794717511U 167: [07:02:30] Font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/ComicNeue-Regular.ttf not found. 167: [07:02:30] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 167: file testHandDrawn-2.png gave hash 2999419462U not the expected 1443443188U 167: [07:02:30] Font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/ComicNeue-Regular.ttf not found. 167: [07:02:30] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 167: file testHandDrawn-3.svg gave hash 3132677810U not the expected 3982694296U 167: [07:02:30] Font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/ComicNeue-Regular.ttf not found. 167: [07:02:30] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 167: file testHandDrawn-3.png gave hash 3246777153U not the expected 865629432U 167: [07:02:30] Font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/ComicNeue-Regular.ttf not found. 167: [07:02:30] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 167: file testHandDrawn-4.svg gave hash 201818655U not the expected 2146113517U 167: [07:02:30] Font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/ComicNeue-Regular.ttf not found. 167: [07:02:30] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 167: file testHandDrawn-4.png gave hash 4143198081U not the expected 3919767093U 167: file testHandDrawn-5a.svg gave hash 250687918U not the expected 1567781555U 167: [07:02:32] Font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/ComicNeue-Regular.ttf not found. 167: [07:02:32] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 167: file testHandDrawn-5b.svg gave hash 440037267U not the expected 66354106U 167: [07:02:32] Font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/ComicNeue-Regular.ttf not found. 167: [07:02:32] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 167: file testHandDrawn-5.png gave hash 907582269U not the expected 828378555U 167: file testBrackets-1a.svg gave hash 64586795U not the expected 4189399574U 167: file testBrackets-1b.svg gave hash 219987106U not the expected 3773894816U 167: file testBrackets-1c.svg gave hash 64586795U not the expected 4189399574U 167: file testBrackets-1d.svg gave hash 219987106U not the expected 3773894816U 167: file testBrackets-1e.svg gave hash 3788532828U not the expected 2492125470U 167: file testBrackets-2a.svg gave hash 574382548U not the expected 1050851904U 167: file testBrackets-2b.svg gave hash 1148554894U not the expected 776446765U 167: file testBrackets-2c.svg gave hash 574382548U not the expected 1050851904U 167: file testBrackets-2d.svg gave hash 1148554894U not the expected 776446765U 167: file testBrackets-3a.svg gave hash 1312826578U not the expected 3096284602U 167: file testBrackets-4a.svg gave hash 4109127586U not the expected 3837821771U 167: file testBrackets-4b.svg gave hash 3897543317U not the expected 1477006167U 167: file testBrackets-5a.svg gave hash 294328997U not the expected 1447240271U 167: file testBrackets-5768.svg gave hash 2223513506U not the expected 2559120196U 167: file testSGroupData-1a.svg gave hash 627746375U not the expected 426096222U 167: file testSGroupData-1b.svg gave hash 2982497807U not the expected 1688385103U 167: file testSGroupData-3a.svg gave hash 713845791U not the expected 62481132U 167: file testSGroupData-2a.svg gave hash 1962776608U not the expected 195363059U 167: file testSGroupData-2b.svg gave hash 1195762135U not the expected 942041938U 167: file testSGroupData-3a.svg gave hash 713845791U not the expected 62481132U 167: file testPositionVariation-1.svg gave hash 3048720516U not the expected 1347003808U 167: file testPositionVariation-1b.svg gave hash 1295098836U not the expected 3269244452U 167: file testPositionVariation-2.svg gave hash 1267344267U not the expected 473948585U 167: file testPositionVariation-3.svg gave hash 762081802U not the expected 4039188982U 167: file testPositionVariation-4.svg gave hash 27316031U not the expected 3407574474U 167: file testNoAtomLabels-1.svg gave hash 574617410U not the expected 4255907058U 167: file testNoAtomLabels-2.svg gave hash 4064826243U not the expected 3643749531U 167: file testQueryBonds-1a.svg gave hash 4014427809U not the expected 1525751327U 167: file testQueryBonds-1b.svg gave hash 2936984779U not the expected 2239724223U 167: file testQueryBonds-1c.svg gave hash 3871378016U not the expected 2434786487U 167: file testQueryBonds-2.svg gave hash 2707675342U not the expected 3399320861U 167: file testLinkNodes-2-0.svg gave hash 4034645063U not the expected 145749789U 167: file testLinkNodes-2-30.svg gave hash 672481277U not the expected 3203923109U 167: file testLinkNodes-2-60.svg gave hash 705226084U not the expected 2004079267U 167: file testLinkNodes-2-90.svg gave hash 3571272174U not the expected 171994932U 167: file testLinkNodes-2-120.svg gave hash 230633195U not the expected 673333745U 167: file testLinkNodes-2-150.svg gave hash 1751250656U not the expected 51965551U 167: file testLinkNodes-2-180.svg gave hash 1099619505U not the expected 433020402U 167: file testMolAnnotations-1.svg gave hash 3934947265U not the expected 1638024035U 167: file testMolAnnotations-2a.svg gave hash 1193917943U not the expected 3029896996U 167: file testMolAnnotations-2b.svg gave hash 2355289578U not the expected 3110016833U 167: file testMolAnnotations-2c.svg gave hash 4122989233U not the expected 611992302U 167: file testMolAnnotations-3a.svg gave hash 1541740048U not the expected 55379064U 167: file testMolAnnotations-3b.svg gave hash 2305193104U not the expected 936144383U 167: file testMolAnnotations-3c.svg gave hash 234130169U not the expected 3983292921U 167: file testMolAnnotations-3d.svg gave hash 981930579U not the expected 748075045U 167: file testMolAnnotations-4a.svg gave hash 981625697U not the expected 3474490519U 167: file testLinkNodes-1-0.svg gave hash 1742740041U not the expected 3845035394U 167: file testLinkNodes-1-30.svg gave hash 290570218U not the expected 3207457801U 167: file testLinkNodes-1-60.svg gave hash 293757258U not the expected 2620138210U 167: file testLinkNodes-1-90.svg gave hash 2184207504U not the expected 1457485851U 167: file testLinkNodes-1-120.svg gave hash 1777381842U not the expected 4267267665U 167: file testLinkNodes-1-150.svg gave hash 3520382532U not the expected 574622776U 167: file testLinkNodes-1-180.svg gave hash 638488040U not the expected 2541146503U 167: file testGithub3744.svg gave hash 1280540500U not the expected 387800653U 167: file testAtomLists-1.svg gave hash 3215681292U not the expected 1887579391U 167: file testAtomLists-2.svg gave hash 539170302U not the expected 555139782U 167: file testIsoDummyIso.svg gave hash 3319443622U not the expected 2405371137U 167: file testNoIsoDummyIso.svg gave hash 1461272805U not the expected 748558214U 167: file testIsoNoDummyIso.svg gave hash 2432588025U not the expected 3054263824U 167: file testNoIsoNoDummyIso.svg gave hash 247862132U not the expected 1185561148U 167: file testHydrogenBonds1.svg gave hash 2225826152U not the expected 2605974904U 167: [07:02:32] unrecognized bond typefile testHydrogenBonds2.svg gave hash 4149192934U not the expected 645414593U 155: --------------------------------- 155: test getO3AForProbeConfs 155: 155: *********************************************************** 167: file testGithub2976.svg gave hash 3591486868U not the expected 4194649417U 167: file testReactionCoords.svg gave hash 3403716630U not the expected 798999015U 167: file testAnnotationColors.svg gave hash 2161803217U not the expected 3297011749U 167: file testGithub4238_1.svg gave hash 969871003U not the expected 1477013392U 162/256 Test #155: testO3AAlign ........................... Passed 43.66 sec test 168 Start 168: moldraw2DRxnTest1 168: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DRxnTest1 168: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D 168: Test timeout computed to be: 7200 167: file testGithub4238_1.png gave hash 3806742348U not the expected 2623427676U 167: file testGithub4323_1.svg gave hash 3737732114U not the expected 2536621192U 167: file testGithub4323_2.svg gave hash 239576008U not the expected 2120846759U 167: file testGithub4323_3.svg gave hash 1806358430U not the expected 4156867630U 167: file testGithub4323_4.svg gave hash 3413065852U not the expected 3824125601U 167: file testGithub4323_1.png gave hash 3832837668U not the expected 3075787867U 168: ----------------- Test 1 168: file rxn_test1_1.png gave hash 293057597U not the expected 801892091U 168: file rxn_test1_1.svg gave hash 2895800765U not the expected 4280849065U 168: file rxn_test1_2.png gave hash 1436736108U not the expected 507435337U 168: file rxn_test1_2.svg gave hash 2007816931U not the expected 2640646320U 168: file rxn_test1_3.png gave hash 231343618U not the expected 1590809137U 168: file rxn_test1_3.svg gave hash 2341270304U not the expected 2781928588U 168: file rxn_test1_4.png gave hash 3947439729U not the expected 1766700542U 168: file rxn_test1_4.svg gave hash 1951052784U not the expected 437863065U 168: file rxn_test1_5.png gave hash 1755335773U not the expected 2552100594U 168: file rxn_test1_5.svg gave hash 2952130468U not the expected 3590497359U 168: file rxn_test1_6.png gave hash 4261390248U not the expected 3791582903U 168: file rxn_test1_6.svg gave hash 1245887687U not the expected 3289415410U 168: file rxn_test1_7.png gave hash 1518477254U not the expected 1461397406U 168: file rxn_test1_7.svg gave hash 3894933808U not the expected 1831465890U 168: Done 168: ----------------- Test 2: some examples that caused problems in testing 168: file rxn_test2_1.png gave hash 2718279868U not the expected 3551633840U 168: file rxn_test2_1.svg gave hash 3949901881U not the expected 3702350010U 168: 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 168: file rxn_test2_2_1.png gave hash 594925116U not the expected 1268122583U 168: file rxn_test2_2_1.svg gave hash 3853350160U not the expected 3044844617U 168: 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 168: file rxn_test2_2_2.png gave hash 2306472234U not the expected 82821108U 168: file rxn_test2_2_2.svg gave hash 2560481391U not the expected 269990608U 168: 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 168: 2 C3)c4cccc(c4Cl)Cl CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl 168: 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 168: file rxn_test2_2_3.png gave hash 2995804440U not the expected 3828365604U 168: file rxn_test2_2_3.svg gave hash 1995182177U not the expected 2459428150U 168: 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 168: file rxn_test2_2_4.png gave hash 906123219U not the expected 1230108677U 168: file rxn_test2_2_4.svg gave hash 573062586U not the expected 2528579930U 168: Done 168: ----------------- Test 3: test reactant highlighting 168: file rxn_test3_1.png gave hash 2075154375U not the expected 4189980366U 168: file rxn_test3_1.svg gave hash 1630872087U not the expected 2912956802U 168: Done 168: ----------------- Test 4: some examples from SMARTS in testing 168: draw! 168: file rxn_test4_1.png gave hash 2707332693U not the expected 2745201873U 168: file rxn_test4_1.svg gave hash 2517063300U not the expected 1758099294U 168: done 168: file rxn_test4_2.png gave hash 3091107293U not the expected 3094925886U 167: file testGithub4323_3.png gave hash 442912159U not the expected 381907253U 167: file testGithub4508_1.svg gave hash 3997425663U not the expected 2047652713U 168: file rxn_test4_2.svg gave hash 477046251U not the expected 3493436271U 168: Done 167: file testGithub4508_1b.svg gave hash 752613481U not the expected 2681019776U 167: file testGithub4508_2.svg gave hash 140987875U not the expected 1382076550U 163/256 Test #168: moldraw2DRxnTest1 ...................... Passed 0.34 sec test 169 Start 169: pyMolDraw2D 169: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py" 169: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap 169: Test timeout computed to be: 7200 167: file testGithub4508_2b.svg gave hash 3248878105U not the expected 4005636724U 167: file testDarkMode.1.svg gave hash 4140885122U not the expected 4157562958U 167: file testMonochrome.1.svg gave hash 1950001511U not the expected 482290994U 167: file testMonochrome.2.svg gave hash 1044275957U not the expected 2128285153U 167: file testAvalon.1.svg gave hash 2114639421U not the expected 477303888U 167: file testCDK.1.svg gave hash 3003822600U not the expected 1764612361U 167: file testBaseFontSize.1a.svg gave hash 3665607409U not the expected 1295117205U 167: file testBaseFontSize.1b.svg gave hash 850728816U not the expected 3595811515U 167: file testBaseFontSize.2a.svg gave hash 1704350166U not the expected 2958687877U 169: ...[07:02:33] Font file /build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolDraw2D/Amadeus.ttf not found. 169: [07:02:33] Falling back to original font file /build/reproducible-path/rdkit-202603.4/Data/Fonts/Telex-Regular.ttf. 167: file testBaseFontSize.2b.svg gave hash 3344593609U not the expected 1786972332U 167: file testFlexiCanvas.1a.svg gave hash 2376791495U not the expected 22565973U 167: file testFlexiCanvas.1b.svg gave hash 2472371250U not the expected 264100941U 167: file testFlexiCanvas.1c.svg gave hash 2797251846U not the expected 3178096832U 167: file testFlexiCanvas.1d.svg gave hash 3190671363U not the expected 3052436416U 167: file testFlexiCanvas.2a.png gave hash 1224244010U not the expected 2609920321U 167: file testFlexiCanvas.2b.png gave hash 4208475262U not the expected 3615599154U 167: file testSemiFlexiCanvas.1a.svg gave hash 2472371250U not the expected 264100941U 167: file testSemiFlexiCanvas.1b.svg gave hash 2474894189U not the expected 2578007908U 167: file testFlexiCanvas.3.svg gave hash 4203108154U not the expected 2825616065U 167: file testFlexiCanvas.5a.svg gave hash 943115690U not the expected 2567646198U 167: file testFlexiCanvas.5b.svg gave hash 625052411U not the expected 204562314U 167: file testFlexiCanvas.5c.svg gave hash 18783706U not the expected 2804911186U 167: file testFlexiCanvas.5d.svg gave hash 4218465262U not the expected 132533933U 167: file testFlexiCanvas.6a.svg gave hash 2663340644U not the expected 4181382725U 169: ............[07:02:33] 169: 169: **** 167: file testFlexiCanvas.6b.svg gave hash 3659610260U not the expected 1664102614U 167: file testFlexiCanvas.6c.svg gave hash 2663340644U not the expected 4181382725U 167: file testFlexiCanvas.6d.svg gave hash 2663340644U not the expected 4181382725U 167: file testFlexiCanvas.7a.svg gave hash 673270469U not the expected 3787644406U 167: file testFlexiCanvas.7b.svg gave hash 1236589810U not the expected 4211184836U 167: file testFlexiCanvas.7c.svg gave hash 673270469U not the expected 3787644406U 167: file testFlexiCanvas.7d.svg gave hash 673270469U not the expected 3787644406U 169: Pre-condition Violation 169: molecule must not be None 169: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp 169: Failed Expression: m 169: ---------- 169: Stacktrace: 169: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 169: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 169: 2# RDKit::prepMolForDrawing(RDKit::ROMol const*, bool, bool, bool, bool, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so 169: 3# boost::python::objects::caller_py_function_impl, boost::mpl::vector7 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so 169: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 169: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 169: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 169: 16# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 169: 17# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 169: 18# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 169: 19# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 169: 20# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 169: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 169: 25# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 169: 26# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 169: 27# _PyObject_MakeTpCall in /usr/bin/python3 169: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 169: 29# 0x0000000000186F24 in /usr/bin/python3 169: 30# 0x00000000001E4E20 in /usr/bin/python3 169: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 169: 32# 0x000000000012F92A in /usr/bin/python3 169: 33# 0x0000000000226ECB in /usr/bin/python3 169: 34# _PyObject_MakeTpCall in /usr/bin/python3 169: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 169: 36# 0x0000000000186F24 in /usr/bin/python3 169: 37# 0x00000000001E4E20 in /usr/bin/python3 169: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 169: 39# 0x000000000012F92A in /usr/bin/python3 169: 40# 0x0000000000226ECB in /usr/bin/python3 169: 41# _PyObject_MakeTpCall in /usr/bin/python3 169: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 169: 43# 0x0000000000186F24 in /usr/bin/python3 169: 44# 0x00000000001E4E20 in /usr/bin/python3 169: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 169: 46# 0x000000000012F92A in /usr/bin/python3 169: 47# 0x0000000000226ECB in /usr/bin/python3 169: 48# _PyObject_MakeTpCall in /usr/bin/python3 169: 49# _PyEval_EvalFrameDefault in /usr/bin/python3 169: 50# 0x000000000012F92A in /usr/bin/python3 169: 51# 0x000000000018FD4C in /usr/bin/python3 169: 52# _PyObject_MakeTpCall in /usr/bin/python3 169: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 169: 54# PyEval_EvalCode in /usr/bin/python3 169: 55# 0x00000000002BCB1F in /usr/bin/python3 169: 56# 0x00000000002B8C80 in /usr/bin/python3 169: 57# 0x00000000002B874E in /usr/bin/python3 169: 58# 0x00000000002B80C2 in /usr/bin/python3 169: 59# Py_RunMain in /usr/bin/python3 169: 60# Py_BytesMain in /usr/bin/python3 169: 61# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 169: 62# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 169: 63# _start in /usr/bin/python3 169: ---------- 169: **** 169: 167: file testGithub4764.sz1.svg gave hash 2980200490U not the expected 3611125861U 167: file testGithub4764.sz2.svg gave hash 2415216865U not the expected 1936114454U 167: file testGithub4764.sz3.svg gave hash 667109144U not the expected 2712214121U 167: file testGithub4764.sz1.png gave hash 3553053197U not the expected 2179222277U 167: file testGithub4764.sz2.png gave hash 1004922445U not the expected 444262090U 167: file testGithub4764.sz3.png gave hash 3886447724U not the expected 3567162200U 167: file testDrawArc1.svg gave hash 2570257638U not the expected 3279637525U 167: file testMetalWedges.svg gave hash 2228631642U not the expected 2896721486U 167: file testGithub_5061.svg gave hash 1693817644U not the expected 2050932431U 167: file testGithub_5269_1.svg gave hash 4121819242U not the expected 4160868253U 167: file testGithub_5269_2.svg gave hash 3106933409U not the expected 488926221U 167: file test_classes_wavy_bonds.svg gave hash 717756861U not the expected 1694809514U 167: file github5383_1.svg gave hash 2065423497U not the expected 1815941817U 167: file github5383_2.svg gave hash 1193694137U not the expected 0U 167: file github5383_1.png gave hash 968182304U not the expected 2893520928U 167: file github5156_1.svg gave hash 369772438U not the expected 2145907703U 167: file github5156_2.svg gave hash 3891486909U not the expected 4184795863U 167: file acs1996_1.svg gave hash 3677925411U not the expected 1111630317U 167: file acs1996_1.png gave hash 1211032781U not the expected 2329725800U 167: file acs1996_2.svg gave hash 505377582U not the expected 908745273U 169: .......................... 169: ---------------------------------------------------------------------- 169: Ran 41 tests in 0.329s 169: 169: OK 169: json lasso 167: file acs1996_2.png gave hash 3494802906U not the expected 2996350718U 167: file acs1996_3.svg gave hash 2845827029U not the expected 879041204U 167: file acs1996_4.svg gave hash 3298235270U not the expected 1550424006U 167: file acs1996_5.svg gave hash 3187680891U not the expected 3624853279U 167: file acs1996_6.svg gave hash 613141399U not the expected 3810124161U 167: file acs1996_7.svg gave hash 3125982476U not the expected 1113821459U 167: file acs1996_8.svg gave hash 3706567198U not the expected 4110469272U 167: file acs1996_9.svg gave hash 1006094864U not the expected 231896677U 167: file acs1996_10.svg gave hash 2806043399U not the expected 2229333301U 167: file acs1996_11.svg gave hash 734985973U not the expected 4107969968U 167: [07:02:33] 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. 167: file acs1996_12.svg gave hash 1753194475U not the expected 2930884583U 167: file test_unspec_stereo.svg gave hash 738766093U not the expected 3923423666U 167: file light_blue_h_no_label_1.svg gave hash 2420400377U not the expected 1615074554U 167: file bond_highlights_1.svg gave hash 493738089U not the expected 3461339568U 167: file bond_highlights_2.svg gave hash 491854299U not the expected 4196744632U 167: file bond_highlights_3.svg gave hash 557817455U not the expected 1492806612U 167: file bond_highlights_4.svg gave hash 557817455U not the expected 1492806612U 167: file bond_highlights_5.svg gave hash 205679224U not the expected 1018090699U 167: file bond_highlights_6.svg gave hash 1325329976U not the expected 2808634572U 167: file bond_highlights_7.svg gave hash 3869015596U not the expected 2160801877U 167: file bond_highlights_8.svg gave hash 119480419U not the expected 3119784980U 167: file bond_highlights_9.svg gave hash 3952673208U not the expected 3999278931U 167: file testGithub5486_1.svg gave hash 1690505493U not the expected 3146085634U 167: file testGithub5511_1.svg gave hash 3890149295U not the expected 3975118836U 167: file testGithub5511_2.svg gave hash 4270414795U not the expected 1730094503U 167: file test_github_5534.svg gave hash 2321188208U not the expected 4139208597U 167: file test_github5704_1.svg gave hash 2750231117U not the expected 1676917819U 167: file test_github5704_2.svg gave hash 2842843814U not the expected 2959183882U 167: file test_github5704_3.svg gave hash 3877554301U not the expected 1303839406U 167: file test_github5704_4.svg gave hash 1994163028U not the expected 578468407U 167: file test_github5767.svg gave hash 3276045309U not the expected 3943519724U 167: file test_github5947.svg gave hash 1693974265U not the expected 3122633523U 167: file test_github5943.svg gave hash 2101435859U not the expected 1113511714U 167: file test_github5949.svg gave hash 3224019254U not the expected 420848566U 164/256 Test #169: pyMolDraw2D ............................ Passed 0.67 sec test 170 Start 170: testFMCS 170: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/testFMCS 170: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS 170: Test timeout computed to be: 7200 167: file test_github5974.svg gave hash 1343954295U not the expected 1522014196U 167: file test_github5963.svg gave hash 1220635850U not the expected 941197725U 167: file test_github6025.svg gave hash 1204533871U not the expected 2316385019U 167: file test_github6027_1.svg gave hash 3135827679U not the expected 1504848694U 167: file test_github6027_2.svg gave hash 3945179782U not the expected 765638922U 167: file test_github6041b.svg gave hash 762663667U not the expected 444537337U 167: file test_complex_query_atoms_1.svg gave hash 1858963124U not the expected 1058348348U 167: file test_complex_query_atoms_2.svg gave hash 1035480271U not the expected 3820627663U 167: file test_complex_query_atoms_3.svg gave hash 1686043631U not the expected 2574610745U 167: file test_complex_query_atoms_4.svg gave hash 1686043631U not the expected 2574610745U 167: file test_complex_query_atoms_5.svg gave hash 2203803203U not the expected 2239402605U 167: file test_complex_query_atoms_6.svg gave hash 3698041037U not the expected 2784917732U 167: file test_complex_query_atoms_7.svg gave hash 1245832599U not the expected 4016570948U 167: file test_complex_query_atoms_8.svg gave hash 1294989648U not the expected 1215989604U 167: file test_complex_query_atoms_9.svg gave hash 1115198970U not the expected 774489308U 167: file test_complex_query_atoms_10.svg gave hash 2517251618U not the expected 1888858967U 167: file test_complex_query_atoms_11.svg gave hash 3242318807U not the expected 2202417832U 167: file test_complex_query_atoms_12.svg gave hash 1172019267U not the expected 4094464645U 167: file test_complex_query_atoms_13.svg gave hash 1243902839U not the expected 2082462146U 167: file test_complex_query_atoms_14.svg gave hash 144421840U not the expected 3306293765U 167: file test_complex_query_atoms_15.svg gave hash 350162044U not the expected 422354297U 167: file test_complex_query_atoms_16.svg gave hash 2056433870U not the expected 1559600050U 167: file test_github6112.svg gave hash 3041963169U not the expected 3278777629U 167: file test_github6160_1.svg gave hash 1940045167U not the expected 1248002094U 167: file test_github6160_2.svg gave hash 1224306678U not the expected 3845316354U 167: file test_github6160_3.svg gave hash 2489702447U not the expected 332436229U 167: file test_getMolSize.svg gave hash 3434258731U not the expected 4196092972U 167: file test_github6200_1.svg gave hash 1445401918U not the expected 1975293465U 167: file test_github6200_2.svg gave hash 1251662961U not the expected 2658818798U 167: file test_queryColour_1.svg gave hash 612698405U not the expected 778322651U 167: file test_queryColour_2.svg gave hash 4016400312U not the expected 45913095U 167: file github6336_1.png gave hash 958785365U not the expected 2958833204U 167: file github6336_1.svg gave hash 1390783959U not the expected 612606818U 167: file github6416.svg gave hash 204958662U not the expected 3814405016U 167: file test_github6400_1.svg gave hash 3669796685U not the expected 2792561051U 167: file github6504_1.svg gave hash 3341951270U not the expected 3649936662U 167: file github6504_2.svg gave hash 4040076192U not the expected 106020287U 167: file github6569_1.svg gave hash 1904338201U not the expected 1698514747U 167: file github6569_2.svg gave hash 3753962909U not the expected 3269796969U 167: file lasso_highlights_1.svg gave hash 1121546855U not the expected 3709434534U 167: file lasso_highlights_2.svg gave hash 1745084972U not the expected 757121560U 167: file lasso_highlights_3.svg gave hash 3885738382U not the expected 556406365U 167: file lasso_highlights_4.svg gave hash 2311902847U not the expected 4148844874U 167: file lasso_highlights_5.svg gave hash 1257474609U not the expected 3920196793U 167: file lasso_highlights_6.svg gave hash 4057458673U not the expected 2113147733U 167: file lasso_highlights_7.svg gave hash 1759335409U not the expected 514868036U 167: file lasso_highlights_8.svg gave hash 2072576322U not the expected 3231367552U 167: file testGithub6685_4.svg gave hash 4058738261U not the expected 3883821521U 167: file bad_lasso_1.svg gave hash 1507966996U not the expected 726527516U 167: file AtropCanon1.svg gave hash 1901351287U not the expected 3762185420U 167: file AtropManyChiralsEnhanced.svg gave hash 3997024882U not the expected 920164649U 167: file testGithub6968.svg gave hash 2416693956U not the expected 577496246U 167: file testGithub7036_2.svg gave hash 2093741698U not the expected 2411796331U 167: file testGithub7036_1.svg gave hash 1700645568U not the expected 303621762U 167: file testWedgeNonSingleBonds-1.svg gave hash 1476167396U not the expected 2116685919U 167: file testWedgeNonSingleBonds-2.svg gave hash 465473374U not the expected 1174395532U 167: file testWedgeNonSingleBonds-3.svg gave hash 352082831U not the expected 2542970771U 167: file testWedgeNonSingleBonds-4.svg gave hash 1744898749U not the expected 700876833U 167: file testWedgeNonSingleBonds-5.svg gave hash 725983439U not the expected 2012191155U 167: file testWedgeNonSingleBonds-6.svg gave hash 478779300U not the expected 2517061935U 167: file testWedgeNonSingleBonds-7.svg gave hash 1857386186U not the expected 157069219U 167: file testWedgeNonSingleBonds-8.svg gave hash 1462975976U not the expected 3431784338U 167: file testWedgingShouldBeOnSingleBond.svg gave hash 518479263U not the expected 1002741488U 167: file testDuplicateEnhancedStereoLabelsAddAnnotationFalse.svg gave hash 596604646U not the expected 2980189527U 167: file testDuplicateEnhancedStereoLabelsAddAnnotationTrue.svg gave hash 596604646U not the expected 1462263453U 167: file testComplexQueryAtomMap.svg gave hash 1780085415U not the expected 722421835U 167: file testHighlightHeteroAtoms_1.svg gave hash 3832901829U not the expected 1769258632U 167: file testHighlightHeteroAtoms_2.svg gave hash 1864599U not the expected 893937335U 167: file testGithub_7739_1.svg gave hash 1208363783U not the expected 2615562225U 167: file testGithub_7739_2.svg gave hash 4174704494U not the expected 2225049332U 167: file testGithub_7739_3.svg gave hash 3435737283U not the expected 1037942338U 167: file testGithub_7739_4.svg gave hash 2004483355U not the expected 3549083171U 167: file testGithub_7739_5.svg gave hash 3748355106U not the expected 1114216032U 167: file testAtomAbbreviationsClash.svg gave hash 222225321U not the expected 1847939197U 167: file testBlackAtomsUnderHighlight.svg gave hash 1437801379U not the expected 3916069581U 167: file testSmallReactionCanvas.svg gave hash 1550481432U not the expected 2238356155U 167: file testReactionProductSmoothCorners.svg gave hash 2404050427U not the expected 882352670U 167: file testOptionalAtomListBrackets_1.svg gave hash 3829750483U not the expected 4239908626U 167: file testOptionalAtomListBrackets_2.svg gave hash 562987240U not the expected 3881772214U 167: file testOptionalAtomListBrackets_3.svg gave hash 3781855073U not the expected 2945415850U 167: file testReactionPanels.svg gave hash 2589126442U not the expected 3554202592U 167: file testComponentPadding_1.svg gave hash 86889591U not the expected 2488754565U 167: file testComponentPadding_2.svg gave hash 3183164058U not the expected 2544322406U 167: file testAtomAndBondLabels_1.svg gave hash 3854792861U not the expected 288825710U 167: file testAtomAndBondLabels_2.svg gave hash 4131152872U not the expected 3501435082U 167: file testAtomAndBondLabels_3.svg gave hash 934726898U not the expected 3056536314U 167: file testAtomAndBondLabels_4.svg gave hash 1457363143U not the expected 229616498U 167: file testStandardColoursHighlightedAtoms_1.svg gave hash 3813740493U not the expected 4265528904U 167: file testStandardColoursHighlightedAtoms_2.svg gave hash 2777470956U not the expected 2285000572U 167: file testArrowheads.svg gave hash 177824424U not the expected 3318006834U 167: file testOffsetHighlightedMols.svg gave hash 3042926286U not the expected 2260045213U 167: file test_Github9280_1.0.svg gave hash 3055331126U not the expected 1658116840U 167: file test_Github9280_2.0.svg gave hash 4291816237U not the expected 1805554327U 167: file test_Github9280_0.3.svg gave hash 748468587U not the expected 893100468U 167: file test_Github9280_0.2.svg gave hash 3869820880U not the expected 770838895U 167: =============================================================================== 167: All tests passed (6958 assertions in 131 test cases) 167: 165/256 Test #167: moldraw2DTestCatch ..................... Passed 4.25 sec test 171 Start 171: testFMCSCatch 171: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/testFMCSCatch 171: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS 171: Test timeout computed to be: 7200 171: Randomness seeded to: 2006883799 171: Query C1CCCC1 5(5) atoms, 5(5) bonds 171: 1 Seeds:6 MCS 4 atoms, 3 bonds for 0.0001 seconds. bond[0]=0 171: 2 Seeds:8 MCS 5 atoms, 4 bonds for 0.0002 seconds. bond[0]=0 171: 3 Seeds:7 MCS 5 atoms, 4 bonds for 0.0002 seconds. bond[0]=0 171: 4 Seeds:6 MCS 5 atoms, 4 bonds for 0.0002 seconds. bond[0]=0 171: 7 Seeds:7 MCS 5 atoms, 4 bonds for 0.0002 seconds. bond[0]=0 171: 8 Seeds:6 MCS 5 atoms, 4 bonds for 0.0002 seconds. bond[0]=0 171: 10 Seeds:6 MCS 5 atoms, 4 bonds for 0.0002 seconds. bond[0]=0 171: 11 Seeds:5 MCS 5 atoms, 4 bonds for 0.0002 seconds. bond[0]=0 171: 14 Seeds:5 MCS 5 atoms, 4 bonds for 0.0002 seconds. bond[0]=1 171: 15 Seeds:4 MCS 5 atoms, 4 bonds for 0.0002 seconds. bond[0]=1 171: Target 1 MISMATCHED C1CCCCC1 171: STATISTICS: 171: Total Growing Steps = 18, MCS found on 15 step, for 0.0002 seconds 171: Initial Seeds = 5, Mismatched 0 171: Inspected Seeds = 22 171: Rejected by BestSize = 3 171: IndividualBondExcluded = 0 171: MatchCheck Seeds = 22 171: MatchCalls = 5 171: MatchFound = 4 171: fastMatchCalls = 4 171: fastMatchFound = 3 171: slowMatchCalls = 2 171: slowMatchFound = 1 171: DupCacheFound = 4 0 matched, 4 mismatched 171: HashCache size = 4 keys 171: HashCache size = 4 entries 171: FindHashInCache = 18 171: HashFoundInCache= 13 171: ExactMatchCalls = 13 171: ExactMatchFound = 13 171: =============================================================================== 171: All tests passed (5 assertions in 1 test case) 171: 166/256 Test #171: testFMCSCatch .......................... Passed 0.03 sec test 172 Start 172: pyFMCS 172: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/FMCS/Wrap/testFMCS.py" 172: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap 172: Test timeout computed to be: 7200 170: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds 170: Time elapsed 0.003 seconds 170: 170: test32() 170: 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 170: Time elapsed 0.060 seconds 170: 170: test190() 170: 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 170: Time elapsed 0.009 seconds 170: 170: test3() 170: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds 170: Time elapsed 0.019 seconds 170: 170: testSimpleFast() 170: 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 170: Time elapsed 0.128 seconds 170: 170: testSimple() 170: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 170: Time elapsed 0.099 seconds 170: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 170: Time elapsed 0.110 seconds 170: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 170: Time elapsed 0.109 seconds 170: 170: testSegFault() 170: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds 170: Time elapsed 0.009 seconds 170: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds 170: Time elapsed 0.015 seconds 170: 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 170: Time elapsed 0.010 seconds 170: 170: testThreshold() 170: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 170: Time elapsed 0.000 seconds 170: 170: testRing1() 170: 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 170: Time elapsed 0.254 seconds 170: 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 170: Time elapsed 0.153 seconds 170: 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 170: Time elapsed 0.170 seconds 170: 170: testAtomCompareIsotopes() 170: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds 170: Time elapsed 0.000 seconds 170: 170: testAtomCompareAnyAtom() 170: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 170: Time elapsed 0.000 seconds 170: 170: testAtomCompareAnyAtom() 170: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 170: Time elapsed 0.000 seconds 170: 170: testAtomCompareAnyAtom() 170: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds 170: Time elapsed 0.000 seconds 170: 170: testAtomCompareAnyAtom() 170: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds 170: Time elapsed 0.000 seconds 170: 170: testJnk1LigandsDistance() 170: 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 170: Time elapsed 0.006 seconds 170: 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 170: Time elapsed 0.001 seconds 170: 170: test18() 170: 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]1 170: 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 170: Time elapsed 0.004 seconds 170: 170: test504() 170: 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]1 170: 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 170: Time elapsed 0.045 seconds 170: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds 170: Time elapsed 0.001 seconds 170: 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 170: Time elapsed 0.011 seconds 170: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds 170: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0006 seconds. bond[0]=6 170: STATISTICS: 170: Total Growing Steps = 1, MCS found on 1 step, for 0.0006 seconds 170: Initial Seeds = 1, Mismatched 0 170: Inspected Seeds = 2 170: Rejected by BestSize = 0 170: IndividualBondExcluded = 0 170: MatchCheck Seeds = 2 170: MatchCalls = 2 170: MatchFound = 1 170: fastMatchCalls = 1 170: fastMatchFound = 0 170: slowMatchCalls = 2 170: slowMatchFound = 1 170: DupCacheFound = 0 0 matched, 0 mismatched 170: HashCache size = 1 keys 170: HashCache size = 1 entries 170: FindHashInCache = 2 170: HashFoundInCache= 0 170: ExactMatchCalls = 0 170: ExactMatchFound = 0 170: Time elapsed 0.001 seconds 170: query=OCCl SubstructMatch(useChirality=false) res =1 size=3 170: query=OCCl SubstructMatch(useChirality=true ) res =1 size=3 170: test target = O[C@H](F)CCl query = C(F)C useChirality = 0 170: res sub = 1 size=3 170: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds 170: test target = O[C@H](F)CCl query = C(F)C useChirality = 1 170: res sub = 1 size=3 170: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds 170: test target = CC[C@H](F)Cl query = CCC useChirality = 0 170: res sub = 1 size=3 170: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 170: test target = CC[C@H](F)Cl query = CCC useChirality = 1 170: res sub = 1 size=3 170: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 170: test target = CCC(F)Cl query = CC useChirality = 0 170: res sub = 1 size=2 170: MCS: [#6]-[#6] 2 atoms, 1 bonds 170: test target = CCC(F)Cl query = CC useChirality = 1 170: res sub = 1 size=2 170: MCS: [#6]-[#6] 2 atoms, 1 bonds 170: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 0 170: res sub = 1 size=4 170: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 1 170: res sub = 1 size=4 170: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 0 170: res sub = 1 size=4 170: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 1 170: res sub = 1 size=4 170: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = O[C@H](F)CCl query = CC(F)C useChirality = 0 170: res sub = 0 size=0 170: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 170: test target = O[C@H](F)CCl query = CC(F)C useChirality = 1 170: res sub = 0 size=0 170: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 170: test target = O[C@H](F)CCl query = OC(F)C useChirality = 0 170: res sub = 1 size=4 170: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = O[C@H](F)CCl query = OC(F)C useChirality = 1 170: res sub = 1 size=4 170: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 0 170: res sub = 1 size=4 170: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 1 170: res sub = 1 size=4 170: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 0 170: res sub = 1 size=4 170: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 1 170: res sub = 0 size=0 170: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 170: test target = OC(F)CCl query = OC(F)C useChirality = 0 170: res sub = 1 size=4 170: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = OC(F)CCl query = OC(F)C useChirality = 1 170: res sub = 1 size=4 170: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0 170: res sub = 1 size=4 170: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = OC(F)CCl query = O[C@H](F)C useChirality = 1 170: res sub = 0 size=0 170: MCS: [#9] 1 atoms, 0 bonds 170: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0 170: res sub = 1 size=4 170: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 170: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1 170: res sub = 0 size=0 170: MCS: [#9] 1 atoms, 0 bonds 170: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 0 170: res sub = 1 size=3 170: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 170: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 1 170: res sub = 1 size=3 170: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 170: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 0 170: res sub = 1 size=3 170: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 170: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 1 170: res sub = 1 size=3 170: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 170: 170: 0. <<<<<<<<< actual MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds >>>>>>> 170: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 0 170: res sub = 1 size=3 170: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 170: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 1 170: res sub = 1 size=3 170: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 170: done 170: [07:02:36] The provided InitialSeed is not an MCS and will be ignored 172: ........................................[07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: [07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: [07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: .[07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: [07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: [07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: .[07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: [07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: [07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: .[07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: [07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: [07:02:38] The provided InitialSeed is not an MCS and will be ignored 172: ................. 172: ---------------------------------------------------------------------- 172: Ran 60 tests in 3.271s 172: 172: OK 167/256 Test #172: pyFMCS ................................. Passed 3.62 sec test 173 Start 173: FMCStest 173: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test/FMCStest 173: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test 173: Test timeout computed to be: 7200 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_15113.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_16613.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_30745.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_30861.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_31495.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_34869.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_36158.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_36559.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_37434.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_39147.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_43754.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_44011.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_44158.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_48076.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_48961.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_49648.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_49703.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_51128.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_51343.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_51842.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_54554.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_100_55749.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_17256.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20244.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20245.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30149.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30499.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_36186.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_39262.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_43966.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_45279.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_48029.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49064.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49801.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_50681.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_54039.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58265.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58358.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58866.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10188_60810.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21358.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21597.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30111.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30349.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31746.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31822.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_35220.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37603.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37964.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_39508.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42164.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42577.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_44072.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_45522.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46700.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46719.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46744.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_48517.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_49087.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_50034.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_51475.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53483.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53506.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_54598.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55614.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55737.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57090.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57705.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57785.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_58463.txt 173: 173: testChEMBfopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: L_Txt() chembl_II_sets/Target_no_10193_58700.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61003.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61349.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10260_38526.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10260_50778.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10260_52179.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10260_54285.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_30224.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_31222.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37349.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37369.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37465.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37541.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_38371.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44314.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44578.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_45765.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_46281.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_47928.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_50624.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51341.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51662.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51767.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53081.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53396.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53407.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_58823.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_59190.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_60672.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10280_61176.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10434_20905.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30074.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30175.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30423.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10434_31555.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10434_34878.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10434_35926.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10434_42168.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_20859.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_30060.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_30061.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_30606.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_30866.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_31249.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_34921.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_35188.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_36636.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_37466.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_39202.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_43952.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_49345.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_49591.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_49854.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_51416.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_53537.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_58879.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_60679.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_107_61269.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_20600.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_20859.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_30060.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_30606.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_30866.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_31558.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_35188.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_37466.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_43875.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_48911.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_49591.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_49854.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: no_108_57887.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_60679.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_108_6857.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_15478.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_20853.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30840.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30862.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30918.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30994.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31014.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31508.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31623.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35003.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35004.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35281.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35957.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36520.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36641.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_38586.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_44431.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_45093.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_51302.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5247.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_52937.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_57198.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5739.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_10980_6535.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20205.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20986.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_30091.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34698.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34705.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37038.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37272.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37447.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38909.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38953.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_39472.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_45825.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_47179.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49028.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49860.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_51984.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53395.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53826.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54121.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54530.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_55738.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_57725.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11140_58590.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11365_20432.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11365_30331.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11365_37956.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11365_48114.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11365_58566.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34731.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34818.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37318.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37339.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37564.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39504.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39561.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46082.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46089.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47349.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47757.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_51593.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_54754.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58262.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58958.txt 173: 173: testChEMBL_Txt(fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: ) chembl_II_sets/Target_no_114_16827.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_20503.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_20724.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_30254.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_30321.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_30572.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_31116.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_31281.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_31443.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_34747.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_34920.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_35040.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_36623.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_37136.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_37208.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_38298.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_38554.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_39088.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_39543.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_44049.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_44562.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_45180.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_45867.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_46087.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_46829.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_47546.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_48395.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_50461.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_50765.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_51669.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_52381.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_57231.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_114_58246.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11534_30999.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31021.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31650.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11534_35011.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11534_37014.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11534_44598.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11534_48446.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50614.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50615.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50618.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11534_51950.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11575_31616.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11575_38381.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11575_45757.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11575_46816.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11575_50701.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11575_54049.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11575_57890.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11575_61045.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11631_30194.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11631_31421.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11631_35538.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11631_55727.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11631_60676.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11631_61130.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_11631_6444.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_15623.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_20096.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_21591.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_30184.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_30380.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_30745.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_30861.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_31619.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_34869.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_35284.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_36158.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_36915.txt 173: 173: testChEMBL_Txfopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: t() chembl_II_sets/Target_no_121_37434.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_37541.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_37677.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_38837.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_39530.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_43793.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_44158.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_44164.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_44579.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_44593.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_44692.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_44914.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_45878.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_48050.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_48706.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_48944.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_48961.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_49880.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_50055.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_50512.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_51064.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_53537.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_55749.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_58879.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_121_6876.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12209_44664.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12209_46451.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12209_50640.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12209_56102.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12209_58015.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59089.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59092.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12209_61340.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12252_31458.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12252_38481.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12252_42104.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49475.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49933.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12252_50558.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_126_37249.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_126_39117.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_126_48227.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_126_48229.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_126_53969.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_126_54262.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_126_55353.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_126_61212.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20250.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20506.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20626.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20689.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_21358.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30158.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30349.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_34843.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_35220.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36318.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36800.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_39349.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45385.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45676.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46700.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46719.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_48517.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_52690.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_53483.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_55435.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_56102.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58015.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58375.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_1295fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: 2_58700.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_13001_16724.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_13001_2710.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_13001_30128.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_13001_31250.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_13001_35519.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_13001_36905.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_13001_46788.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_13001_4737.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_13001_55736.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_13001_57473.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_16146.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_30313.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_30539.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_30653.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_30988.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_31179.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_31339.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_3525.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_36886.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_37020.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_38128.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_43952.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_45210.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_45899.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_47889.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_51800.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_53158.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_5330.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_55648.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_56096.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_57287.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_57399.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_57606.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_58470.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_130_60894.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_15010.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_20304.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_20542.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_20788.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_21358.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_30349.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_31103.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_31764.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_31822.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_35220.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_37964.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_42164.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_44072.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_45522.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_46719.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_46744.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_48416.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_49740.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_50034.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_50640.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_53483.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_53506.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_53814.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_55435.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_56074.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_56107.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_57090.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_57705.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_57785.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_57861.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_58583.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_59089.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_15_59092.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_20600.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_30764.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_34876.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_37427.tfopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: xt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_38266.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_45283.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_46990.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_47123.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_47900.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_48050.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_48062.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_48076.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_50718.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_50972.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_51372.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_51830.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_53049.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_53505.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_54021.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_54565.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_54570.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_57666.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_57890.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_58072.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_58634.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_58643.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_59080.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_59202.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_59346.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_60379.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_60385.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_165_61098.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_17045_31154.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_17045_35648.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_17045_48914.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_17045_51975.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_17045_52435.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_17045_55790.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_17045_58958.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_17045_61146.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20191.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20562.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20606.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20607.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30003.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30402.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30726.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30924.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31457.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31460.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31600.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31620.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31640.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31782.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31797.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31829.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31856.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34690.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34691.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34694.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_35712.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37497.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37539.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48070.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48219.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48824.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48902.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_52867.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_53534.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_54570.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_58727.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60159.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60661.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_30037.txt 173: 173: testChEMBL_Txt() chefopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: mbl_II_sets/Target_no_259_34734.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_35365.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_35787.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_36793.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_37845.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_38328.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_39374.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_43936.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_44059.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_44405.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_44424.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_45166.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_46158.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_46425.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_47187.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_48435.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_48817.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_48849.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_48957.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_48965.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_49519.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_49921.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_50392.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_50972.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_52405.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_52442.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_53169.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_54640.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_57207.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_58537.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_58920.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_259_60358.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_25_16077.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_25_34943.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_25_36391.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_25_36574.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_25_52906.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_25_54642.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_16385.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_20333.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_20774.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_35825.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_37637.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_47741.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_48567.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_48841.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_49589.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_50564.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_51201.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_53150.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_55747.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_43_58276.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_20813.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_2331.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_2391.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_30374.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_30512.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_30796.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_31058.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_31450.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_36609.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_36636.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_38266.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_43800.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_47621.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_49433.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_49550.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_49865.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_51005.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_52373.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_53878.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_54554.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_57508.txtfopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_57618.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_59484.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_51_6563.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_61_16845.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_61_37106.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_61_37272.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_61_47947.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_61_50754.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_61_55800.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_61_57380.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_65_35328.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_65_36137.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_65_38826.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_65_44596.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_65_51275.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_65_55671.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_20155.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_30616.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_30653.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_30988.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_31339.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_31527.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_31631.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_36047.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_36568.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_36636.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_37020.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_38128.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_43952.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_45210.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_47889.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_51064.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_51800.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_5330.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_57508.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_58470.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_72_60894.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_20730.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_20753.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_30097.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_30663.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_35365.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_35375.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_35918.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_36010.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_36780.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_36793.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_37845.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_39110.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_39546.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_43936.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_44405.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_44424.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_44683.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_45166.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_46648.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_46986.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_47070.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_47187.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_48435.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_48817.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_49138.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_49460.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_49519.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_49532.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_49829.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_50608.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_54640.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_87_61082.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_90_15727.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_90_20155.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_90_30407.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_90_3525.txt 173: 173: testChEMBfopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: fopen testChEMBL_Txt(): No such file or directory 173: L_Txt() chembl_II_sets/Target_no_93_12377.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_93_1308.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_93_34759.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_93_35447.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_93_42214.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_93_45877.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_93_47082.txt 173: 173: testChEMBL_Txt() chembl_II_sets/Target_no_93_57082.txt 173: 173: testFileSDF_RandomSet(): benchmark/chembl13-10000-random-pairs.sdf 173: ERROR: RDKit could not load input file 173: 173: testFileSDF_RandomSet(): benchmark/chembl13_pairs.smi 173: ERROR: RDKit could not load input file 173: 173: testFileSDF_RandomSet(): benchmark/chembl13_knearest_2.smi 173: ERROR: RDKit could not load input file 173: 173: testFileSDF_RandomSet(): benchmark/chembl13_knearest_10.smi 173: ERROR: RDKit could not load input file 173: 173: testFileSDF_RandomSet(): benchmark/chembl13_knearest_100.smi 173: ERROR: RDKit could not load input file 173: 173: testFileSDF_RandomSet(): benchmark/chembl13_threshold_80.smi 173: ERROR: RDKit could not load input file 173: 173: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi 173: ERROR: RDKit could not load input file 168/256 Test #173: FMCStest ............................... Passed 0.02 sec test 174 Start 174: molHashCatchTest 174: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/molHashCatchTest 174: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash 174: Test timeout computed to be: 7200 174: Randomness seeded to: 2097354110 174: =============================================================================== 174: All tests passed (451 assertions in 20 test cases) 174: 169/256 Test #174: molHashCatchTest ....................... Passed 0.08 sec test 175 Start 175: pyMolHash 175: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolHash/Wrap/testMolHash.py" 175: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap 175: Test timeout computed to be: 7200 175: .... 175: ---------------------------------------------------------------------- 175: Ran 4 tests in 0.006s 175: 175: OK 170/256 Test #175: pyMolHash .............................. Passed 0.11 sec test 176 Start 176: testMMPA 176: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/testMMPA 176: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA 176: Test timeout computed to be: 7200 176: 176: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1 176: Time elapsed 0.002430 seconds 176: 1: res= NULL,C[*:1].C[C:7](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1 176: 1: NOREF. Reference data NOT LISTED in test case. 176: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:7](C(=O)N[*:2])[NH+]1CCCC1 176: 2: NOREF. Reference data NOT LISTED in test case. 176: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:7]([NH+]1CCCC1)[*:2] 176: 3: NOREF. Reference data NOT LISTED in test case. 176: 4: res= O=C(Nc1ccccc1[*:1])[C:7]([NH+]1CCCC1)[*:2],C[*:1].C[*:2] 176: 4: NOREF. Reference data NOT LISTED in test case. 176: 5: res= O=C(Nc1ccccc1[*:1])[C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2] 176: 5: NOREF. Reference data NOT LISTED in test case. 176: 6: res= C[C:7](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 176: 6: NOREF. Reference data NOT LISTED in test case. 176: 7: res= NULL,C[C:7](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1] 176: 7: NOREF. Reference data NOT LISTED in test case. 176: 8: res= O=C(N[*:2])[*:1],C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:2] 176: 8: NOREF. Reference data NOT LISTED in test case. 176: 9: res= O=C(N[*:2])[C:7]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2] 176: 9: NOREF. Reference data NOT LISTED in test case. 176: 10: res= O=C(N[*:3])[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3] 176: 10: NOREF. Reference data NOT LISTED in test case. 176: 11: res= C[C:7](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2] 176: 11: NOREF. Reference data NOT LISTED in test case. 176: 12: res= NULL,C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1] 176: 12: NOREF. Reference data NOT LISTED in test case. 176: 13: res= C1CC[NH+]([C:7]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2] 176: 13: NOREF. Reference data NOT LISTED in test case. 176: 14: res= [*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2] 176: 14: NOREF. Reference data NOT LISTED in test case. 176: 15: res= C[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1] 176: 15: NOREF. Reference data NOT LISTED in test case. 176: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:7]([NH+]1CCCC1)[*:1] 176: 16: NOREF. Reference data NOT LISTED in test case. 176: 17: res= Cc1ccccc1NC(=O)[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 176: 17: NOREF. Reference data NOT LISTED in test case. 176: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:7](C)[*:1] 176: 18: NOREF. Reference data NOT LISTED in test case. 176: 176: --- UNMATCHED Reference RESULTS: --- 176: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1] 176: ----------------------------------- 176: Time elapsed 0.002084 seconds 176: 176: TEST 1 mol: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717 176: 1: NULL, C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O 176: 1: PASSED. matchedRefRes = 4 176: 2: O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21, C[*:1].O=C(NCCO)[*:2] 176: 2: PASSED. matchedRefRes = 1 176: 3: O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OCC[*:2] 176: 3: PASSED. matchedRefRes = 6 176: 4: O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OC[*:2] 176: 4: PASSED. matchedRefRes = 13 176: 5: O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].O[*:2] 176: 5: PASSED. matchedRefRes = 12 176: 6: NULL, Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1] 176: 6: PASSED. matchedRefRes = 10 176: 7: O=C(N[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 176: 7: NOREF. Reference data NOT LISTED in test case.O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 176: 8: O=C(NC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 176: 8: NOREF. Reference data NOT LISTED in test case.O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 176: 9: O=C(NCC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 176: 9: NOREF. Reference data NOT LISTED in test case.O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 176: 10: NULL, Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 176: 10: PASSED. matchedRefRes = 3 176: 11: C([*:1])[*:2], Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 176: 11: NOREF. Reference data NOT LISTED in test case.C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 176: 12: C(C[*:2])[*:1], Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 176: 12: PASSED. matchedRefRes = 8 176: 13: NULL, Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1] 176: 13: PASSED. matchedRefRes = 9 176: 14: C([*:1])[*:2], Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 176: 14: PASSED. matchedRefRes = 11 176: 15: NULL, Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1] 176: 15: PASSED. matchedRefRes = 2 176: 176: --- UNMATCHED Reference RESULTS: --- 176: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 176: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2] 176: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 176: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 176: ----------------------------------- 176: 176: TEST mol: ZINC21984717 Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717 176: Time elapsed 0.002805 seconds 176: 1: res= NULL,C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O 176: 1: PASSED. matchedRefRes = 4 176: 2: res= O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21,C[*:1].O=C(NCCO)[*:2] 176: 2: PASSED. matchedRefRes = 1 176: 3: res= O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OCC[*:2] 176: 3: PASSED. matchedRefRes = 6 176: 4: res= O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OC[*:2] 176: 4: PASSED. matchedRefRes = 13 176: 5: res= O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].O[*:2] 176: 5: PASSED. matchedRefRes = 12 176: 6: res= NULL,Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1] 176: 6: PASSED. matchedRefRes = 10 176: 7: res= O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 176: 7: NOREF. Reference data NOT LISTED in test case. 176: 8: res= O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 176: 8: NOREF. Reference data NOT LISTED in test case. 176: 9: res= O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 176: 9: NOREF. Reference data NOT LISTED in test case. 176: 10: res= NULL,Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 176: 10: PASSED. matchedRefRes = 3 176: 11: res= C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 176: 11: NOREF. Reference data NOT LISTED in test case. 176: 12: res= C(C[*:2])[*:1],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 176: 12: PASSED. matchedRefRes = 8 176: 13: res= NULL,Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1] 176: 13: PASSED. matchedRefRes = 9 176: 14: res= C([*:1])[*:2],Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 176: 14: PASSED. matchedRefRes = 11 176: 15: res= NULL,Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1] 176: 15: PASSED. matchedRefRes = 2 176: 176: --- UNMATCHED Reference RESULTS: --- 176: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 176: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2] 176: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 176: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 176: ----------------------------------- 176: 176: TEST mol: Case1-SIMPLE CC(N1CC1)C(=O) Case1-SIMPLE 176: Time elapsed 0.000465 seconds 176: 1: res= NULL,C[*:1].O=CC(N1CC1)[*:1] 176: 1: PASSED. matchedRefRes = 2 176: 2: res= O=CC([*:1])[*:2],C1CN1[*:2].C[*:1] 176: 2: PASSED. matchedRefRes = 3 176: 3: res= C([*:1])([*:2])[*:3],C1CN1[*:3].C[*:1].O=C[*:2] 176: 3: NOREF. Reference data NOT LISTED in test case. 176: 4: res= C1CN1C([*:1])[*:2],C[*:1].O=C[*:2] 176: 4: PASSED. matchedRefRes = 4 176: 5: res= NULL,C1CN1[*:1].CC(C=O)[*:1] 176: 5: PASSED. matchedRefRes = 5 176: 6: res= CC([*:1])[*:2],C1CN1[*:2].O=C[*:1] 176: 6: NOREF. Reference data NOT LISTED in test case. 176: 7: res= NULL,CC(N1CC1)[*:1].O=C[*:1] 176: 7: PASSED. matchedRefRes = 7 176: 176: --- UNMATCHED Reference RESULTS: --- 176: 1: CC(N1CC1)C(=O),Case1-SIMPLE,C([*:1])([*:2])[*:3],C1CN1[*:2].C[*:1].O=C[*:3] 176: 6: CC(N1CC1)C(=O),Case1-SIMPLE,CC([*:1])[*:2],C1CN1[*:1].O=C[*:2] 176: ----------------------------------- 176: 176: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1 176: Time elapsed 0.002305 seconds 176: 1: res= NULL,C[*:1].C[C:7](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1 176: 1: NOREF. Reference data NOT LISTED in test case. 176: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:7](C(=O)N[*:2])[NH+]1CCCC1 176: 2: NOREF. Reference data NOT LISTED in test case. 176: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:7]([NH+]1CCCC1)[*:2] 176: 3: NOREF. Reference data NOT LISTED in test case. 176: 4: res= O=C(Nc1ccccc1[*:1])[C:7]([NH+]1CCCC1)[*:2],C[*:1].C[*:2] 176: 4: NOREF. Reference data NOT LISTED in test case. 176: 5: res= O=C(Nc1ccccc1[*:1])[C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2] 176: 5: NOREF. Reference data NOT LISTED in test case. 176: 6: res= C[C:7](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 176: 6: NOREF. Reference data NOT LISTED in test case. 176: 7: res= NULL,C[C:7](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1] 176: 7: NOREF. Reference data NOT LISTED in test case. 176: 8: res= O=C(N[*:2])[*:1],C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:2] 176: 8: NOREF. Reference data NOT LISTED in test case. 176: 9: res= O=C(N[*:2])[C:7]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2] 176: 9: NOREF. Reference data NOT LISTED in test case. 176: 10: res= O=C(N[*:3])[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3] 176: 10: NOREF. Reference data NOT LISTED in test case. 176: 11: res= C[C:7](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2] 176: 11: NOREF. Reference data NOT LISTED in test case. 176: 12: res= NULL,C[C:7]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1] 176: 12: NOREF. Reference data NOT LISTED in test case. 176: 13: res= C1CC[NH+]([C:7]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2] 176: 13: NOREF. Reference data NOT LISTED in test case. 176: 14: res= [*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2] 176: 14: NOREF. Reference data NOT LISTED in test case. 176: 15: res= C[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1] 176: 15: NOREF. Reference data NOT LISTED in test case. 176: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:7]([NH+]1CCCC1)[*:1] 176: 16: NOREF. Reference data NOT LISTED in test case. 176: 17: res= Cc1ccccc1NC(=O)[C:7]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 176: 17: NOREF. Reference data NOT LISTED in test case. 176: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:7](C)[*:1] 176: 18: NOREF. Reference data NOT LISTED in test case. 176: 176: --- UNMATCHED Reference RESULTS: --- 176: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1] 176: ----------------------------------- 176: 176: TEST mol: Case2 O=C(OCc1ccccc1)C(O)c1ccccc1 Case2 176: Time elapsed 0.002514 seconds 176: 1: res= NULL,O=C(O[*:1])C(O)c1ccccc1.c1ccc(C[*:1])cc1 176: 1: NOREF. Reference data NOT LISTED in test case. 176: 2: res= C([*:1])[*:2],O=C(O[*:1])C(O)c1ccccc1.c1ccc([*:2])cc1 176: 2: NOREF. Reference data NOT LISTED in test case. 176: 3: res= O=C(O[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc(C[*:2])cc1 176: 3: NOREF. Reference data NOT LISTED in test case. 176: 4: res= O=C(O[*:1])C(c1ccccc1)[*:2],O[*:2].c1ccc(C[*:1])cc1 176: 4: NOREF. Reference data NOT LISTED in test case. 176: 5: res= O=C(O[*:1])C([*:2])[*:3],O[*:2].c1ccc(C[*:1])cc1.c1ccc([*:3])cc1 176: 5: NOREF. Reference data NOT LISTED in test case. 176: 6: res= O=C(O[*:1])C(O)[*:2],c1ccc(C[*:1])cc1.c1ccc([*:2])cc1 176: 6: NOREF. Reference data NOT LISTED in test case. 176: 7: res= NULL,O=C(OC[*:1])C(O)c1ccccc1.c1ccc([*:1])cc1 176: 7: NOREF. Reference data NOT LISTED in test case. 176: 8: res= O=C(OC[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc([*:2])cc1 176: 8: NOREF. Reference data NOT LISTED in test case. 176: 9: res= O=C(OC[*:2])C(c1ccccc1)[*:1],O[*:1].c1ccc([*:2])cc1 176: 9: NOREF. Reference data NOT LISTED in test case. 176: 10: res= O=C(OC[*:2])C([*:1])[*:3],O[*:1].c1ccc([*:2])cc1.c1ccc([*:3])cc1 176: 10: NOREF. Reference data NOT LISTED in test case. 176: 11: res= O=C(OC[*:1])C(O)[*:2],c1ccc([*:1])cc1.c1ccc([*:2])cc1 176: 11: NOREF. Reference data NOT LISTED in test case. 176: 12: res= NULL,O=C(OCc1ccccc1)[*:1].OC(c1ccccc1)[*:1] 176: 12: NOREF. Reference data NOT LISTED in test case. 176: 13: res= c1ccc(C([*:1])[*:2])cc1,O=C(OCc1ccccc1)[*:1].O[*:2] 176: 13: NOREF. Reference data NOT LISTED in test case. 176: 14: res= C([*:1])([*:2])[*:3],O=C(OCc1ccccc1)[*:1].O[*:2].c1ccc([*:3])cc1 176: 14: PASSED. matchedRefRes = 1 176: 15: res= OC([*:1])[*:2],O=C(OCc1ccccc1)[*:1].c1ccc([*:2])cc1 176: 15: NOREF. Reference data NOT LISTED in test case. 176: 16: res= NULL,O=C(OCc1ccccc1)C(c1ccccc1)[*:1].O[*:1] 176: 16: NOREF. Reference data NOT LISTED in test case. 176: 17: res= O=C(OCc1ccccc1)C([*:1])[*:2],O[*:1].c1ccc([*:2])cc1 176: 17: NOREF. Reference data NOT LISTED in test case. 176: 18: res= NULL,O=C(OCc1ccccc1)C(O)[*:1].c1ccc([*:1])cc1 176: 18: NOREF. Reference data NOT LISTED in test case. 176: 176: --- ALL PASSED --- 176: ----------------------------------- 176: 5 TEST CASES FAILED 171/256 Test #176: testMMPA ............................... Passed 0.08 sec test 177 Start 177: pyMMPA 177: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MMPA/Wrap/testMMPA.py" 177: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap 177: Test timeout computed to be: 7200 177: ......... 177: ---------------------------------------------------------------------- 177: Ran 9 tests in 1.189s 177: 177: OK 172/256 Test #177: pyMMPA ................................. Passed 1.30 sec test 178 Start 178: testRascalMCES 178: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES 178: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES 178: Test timeout computed to be: 7200 164: reference time: 34883ms 164: parallel loop 178: Randomness seeded to: 1221230581 178: =============================================================================== 178: All tests passed (1588 assertions in 35 test cases) 178: 173/256 Test #178: testRascalMCES ......................... Passed 6.24 sec test 179 Start 179: testRascalCluster 179: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster 179: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES 179: Test timeout computed to be: 7200 151: [07:02:46] done 151: building molecules 151: generating reference data 170: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 170: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds 170: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 170: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds 170: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 170: MCS MatchStereo true : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 170: TOTAL Time elapsed 12.41 seconds 174/256 Test #170: testFMCS ............................... Passed 12.45 sec test 180 Start 180: pyRascalMCES 180: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py" 180: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap 180: Test timeout computed to be: 7200 180: ..........[07:02:46] Too many matching bond pairs (1032) so can't continue. 151: validating reference data 180: .... 180: ---------------------------------------------------------------------- 180: Ran 14 tests in 2.935s 180: 180: OK 175/256 Test #180: pyRascalMCES ........................... Passed 3.29 sec test 181 Start 181: testSynthonSpaceSubstructureSearch 181: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 181: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch 181: Test timeout computed to be: 7200 181: Randomness seeded to: 1373946539 181: [07:02:51] Writing the enumerated file may take quite some time and result in a large file. 151: processing 151: launch :0 151: launch :1 151: launch :2 151: launch :3 181: [07:02:54] Building the fingerprints may take some time. 164: parallel time: 12325ms 164: =============================================================================== 164: All tests passed (796 assertions in 19 test cases) 164: 176/256 Test #164: testGaussianShape ...................... Passed 48.18 sec test 182 Start 182: testSynthonSpaceFingerprintSearch 182: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceFingerprintSearch 182: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch 182: Test timeout computed to be: 7200 182: Randomness seeded to: 92944890 182: [07:02:57] Building the fingerprints may take some time. 179: Randomness seeded to: 1391951475 179: /build/reproducible-path/rdkit-202603.4/Code/GraphMol/RascalMCES/data/chembl_1907596.smi 182: [07:02:58] Building the fingerprints may take some time. 182: [07:02:59] Building the fingerprints may take some time. 182: [07:03:03] Building the fingerprints may take some time. 181: [07:03:04] 181: 181: **** 181: Invariant Violation 181: molzip: bond info not properly setup for bgn atom with label:1 181: Violation occurred on line 563 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 181: Failed Expression: bond.a 181: ---------- 181: Stacktrace: 181: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 181: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 181: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 181: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 181: 4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 181: 5# RDKit::SynthonSpaceSearch::SynthonSet::makeSynthonSearchMols() in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSynthonSpaceSearch.so.1 181: 6# RDKit::SynthonSpaceSearch::SynthonSpace::readStream(std::istream&, bool&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSynthonSpaceSearch.so.1 181: 7# RDKit::SynthonSpaceSearch::SynthonSpace::readTextFile(std::__cxx11::basic_string, std::allocator > const&, bool&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSynthonSpaceSearch.so.1 181: 8# 0x000000000003EDA3 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 181: 9# 0x000000000008E98C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 181: 10# 0x000000000008FF82 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 181: 11# 0x00000000000903EA in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 181: 12# 0x0000000000062991 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 181: 13# 0x0000000000062C8C in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 181: 14# 0x000000000003DE1E in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 181: 15# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 181: 16# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 181: 17# 0x000000000003DE61 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch 181: ---------- 181: **** 181: 181: [07:03:04] Error:: in reaction amide-1 :: building molecule from synthons : 1-1 (c1cc[1*]ccc1C(=O)[1*]) and 2-1 ([1*]N1CCCC1) 181: molzip: bond info not properly setup for bgn atom with label:1 181: [07:03:04] Explicit valence for atom # 4 C, 5, is greater than permitted 181: [07:03:04] Error:: in reaction error-1 :: building molecule from synthons : 1-1 (C(=[2*])=CC=[1*]) and 2-1 (ClC([2*])=CN=[1*]) 181: Explicit valence for atom # 4 C, 5, is greater than permitted 181: [07:03:04] Complex queries can be slow. 181: [07:03:04] Complex queries can be slow. 181: [07:03:04] Complex queries can be slow. 181: [07:03:05] Complex queries can be slow. 181: [07:03:05] Complex queries can be slow. 181: [07:03:06] Complex queries can be slow. 181: [07:03:06] Complex queries can be slow. 181: [07:03:06] Complex queries can be slow. 181: [07:03:07] Complex queries can be slow. 181: [07:03:07] Complex queries can be slow. 181: [07:03:07] Complex queries can be slow. 152: [07:03:17] UFFTYPER: Unrecognized atom type: S_6+6 (0) 152: [07:03:17] UFFTYPER: Warning: hybridization set to SP3 for atom 0 152: [07:03:17] UFFTYPER: Unrecognized charge state for atom: 0 152: [07:03:17] UFFTYPER: Unrecognized atom type: S_6+6 (0) 152: [07:03:17] UFFTYPER: Warning: hybridization set to SP3 for atom 0 152: [07:03:17] UFFTYPER: Unrecognized charge state for atom: 0 182: =============================================================================== 182: All tests passed (56 assertions in 4 test cases) 182: 177/256 Test #182: testSynthonSpaceFingerprintSearch ...... Passed 26.63 sec test 183 Start 183: testSynthonSpaceRascalSearch 183: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceRascalSearch 183: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch 183: Test timeout computed to be: 7200 183: Randomness seeded to: 958105319 183: =============================================================================== 183: All tests passed (18 assertions in 1 test case) 183: 178/256 Test #183: testSynthonSpaceRascalSearch ........... Passed 1.78 sec test 184 Start 184: pySynthonSpaceSearch 184: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/SynthonSpaceSearch/Wrap/testSynthonSpaceSearch.py" 184: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap 184: Test timeout computed to be: 7200 181: [07:03:26] Complex queries can be slow. 181: [07:03:26] Complex queries can be slow. 181: [07:03:26] Complex queries can be slow. 184: [07:03:27] Complex queries can be slow. 181: [07:03:27] Complex queries can be slow. 181: [07:03:27] Complex queries can be slow. 181: [07:03:28] Complex queries can be slow. 184: [07:03:28] Complex queries can be slow. 181: [07:03:28] Complex queries can be slow. 184: .[07:03:28] Writing the enumerated file may take quite some time and result in a large file. 184: .[07:03:28] Complex queries can be slow. 181: [07:03:28] Complex queries can be slow. 184: [07:03:29] Complex queries can be slow. 181: [07:03:29] Complex queries can be slow. 181: [07:03:29] Complex queries can be slow. 181: [07:03:30] Complex queries can be slow. 181: [07:03:30] Complex queries can be slow. 181: [07:03:31] Complex queries can be slow. 181: [07:03:31] Complex queries can be slow. 181: [07:03:32] Complex queries can be slow. 181: [07:03:32] Complex queries can be slow. 181: [07:03:32] Complex queries can be slow. 181: [07:03:33] Complex queries can be slow. 181: [07:03:33] Complex queries can be slow. 181: [07:03:34] Complex queries can be slow. 181: [07:03:34] Complex queries can be slow. 181: [07:03:34] Complex queries can be slow. 181: [07:03:34] Complex queries can be slow. 181: [07:03:37] Complex queries can be slow. 181: =============================================================================== 181: All tests passed (168 assertions in 24 test cases) 181: 179/256 Test #181: testSynthonSpaceSubstructureSearch ..... Passed 48.99 sec test 185 Start 185: testEnumerateStereoisomers 185: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers/testEnumerateStereoisomers 185: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers 185: Test timeout computed to be: 7200 151: [07:03:41] done 151: CNC[C@H]1CC[C@H](C[NH3+])CC1 151: CNC[C@H]1CC[C@H](C[NH3+])CC1 151: C1=NC[C@]2(CN3CC[C@@H]2C3)O1 151: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2 151: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 151: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21 184: ......[07:03:56] 184: 184: **** 184: Invariant Violation 184: molzip: bond info not properly setup for bgn atom with label:1 184: Violation occurred on line 563 in file ./Code/GraphMol/ChemTransforms/MolZip.cpp 184: Failed Expression: bond.a 184: ---------- 184: Stacktrace: 184: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 184: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 184: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 184: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 184: 4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1 184: 5# RDKit::SynthonSpaceSearch::SynthonSet::makeSynthonSearchMols() in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSynthonSpaceSearch.so.1 184: 6# RDKit::SynthonSpaceSearch::SynthonSpace::readStream(std::istream&, bool&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSynthonSpaceSearch.so.1 184: 7# RDKit::SynthonSpaceSearch::SynthonSpace::readTextFile(std::__cxx11::basic_string, std::allocator > const&, bool&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSynthonSpaceSearch.so.1 184: 8# RDKit::readTextFile_helper(RDKit::SynthonSpaceSearch::SynthonSpace&, std::__cxx11::basic_string, std::allocator > const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSynthonSpaceSearch.so 184: 9# 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSynthonSpaceSearch.so 184: 10# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 184: 11# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 184: 12# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 184: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 184: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 184: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 184: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 184: 17# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 184: 18# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 184: 19# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 184: 20# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 184: 21# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 184: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 184: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 184: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 184: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 184: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 184: 27# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 184: 28# _PyObject_MakeTpCall in /usr/bin/python3 184: 29# 0x00000000001E4EC9 in /usr/bin/python3 184: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 184: 31# 0x0000000000186F24 in /usr/bin/python3 184: 32# 0x00000000001E4E20 in /usr/bin/python3 184: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 184: 34# 0x000000000012F92A in /usr/bin/python3 184: 35# 0x0000000000226ECB in /usr/bin/python3 184: 36# _PyObject_MakeTpCall in /usr/bin/python3 184: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 184: 38# 0x0000000000186F24 in /usr/bin/python3 184: 39# 0x00000000001E4E20 in /usr/bin/python3 184: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 184: 41# 0x000000000012F92A in /usr/bin/python3 184: 42# 0x0000000000226ECB in /usr/bin/python3 184: 43# _PyObject_MakeTpCall in /usr/bin/python3 184: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 184: 45# 0x0000000000186F24 in /usr/bin/python3 184: 46# 0x00000000001E4E20 in /usr/bin/python3 184: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 184: 48# 0x000000000012F92A in /usr/bin/python3 184: 49# 0x0000000000226ECB in /usr/bin/python3 184: 50# _PyObject_MakeTpCall in /usr/bin/python3 184: 51# _PyEval_EvalFrameDefault in /usr/bin/python3 184: 52# 0x000000000012F92A in /usr/bin/python3 184: 53# 0x000000000018FD4C in /usr/bin/python3 184: 54# _PyObject_MakeTpCall in /usr/bin/python3 184: 55# _PyEval_EvalFrameDefault in /usr/bin/python3 184: 56# PyEval_EvalCode in /usr/bin/python3 184: 57# 0x00000000002BCB1F in /usr/bin/python3 184: 58# 0x00000000002B8C80 in /usr/bin/python3 184: 59# 0x00000000002B874E in /usr/bin/python3 184: 60# 0x00000000002B80C2 in /usr/bin/python3 184: 61# Py_RunMain in /usr/bin/python3 184: 62# Py_BytesMain in /usr/bin/python3 184: 63# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 184: 64# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 184: 65# _start in /usr/bin/python3 184: ---------- 184: **** 184: 184: [07:03:56] Error:: in reaction amide-1 :: building molecule from synthons : 1-1 (c1cc[1*]ccc1C(=O)[1*]) and 2-1 ([1*]N1CCCC1) 184: molzip: bond info not properly setup for bgn atom with label:1 184: [07:03:56] Explicit valence for atom # 4 C, 5, is greater than permitted 184: [07:03:56] Error:: in reaction error-1 :: building molecule from synthons : 1-1 (C(=[2*])=CC=[1*]) and 2-1 (ClC([2*])=CN=[1*]) 184: Explicit valence for atom # 4 C, 5, is greater than permitted 151: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O 151: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 151: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 151: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 151: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 184: .[07:03:57] Timed out. 184: [07:03:57] Timed out. 184: . 184: ---------------------------------------------------------------------- 184: Ran 10 tests in 30.957s 184: 184: OK 180/256 Test #184: pySynthonSpaceSearch ................... Passed 31.36 sec test 186 Start 186: pyNewEnumerateStereoisomers 186: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/EnumerateStereoisomers/Wrap/testEnumerateStereoisomers.py" 186: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/EnumerateStereoisomers/Wrap 186: Test timeout computed to be: 7200 179: =============================================================================== 179: All tests passed (93 assertions in 5 test cases) 179: 181/256 Test #179: testRascalCluster ...................... Passed 71.66 sec test 187 Start 187: testCIPLabeler 187: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler 187: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler 187: Test timeout computed to be: 7200 187: Randomness seeded to: 2280908607 187: [07:03:57] non kekulizable aromatic bond being treated as bond order 1 187: [07:03:57] non kekulizable aromatic bond being treated as bond order 1 187: [07:03:57] non kekulizable aromatic bond being treated as bond order 1 187: [07:03:57] non kekulizable aromatic bond being treated as bond order 1 187: [07:03:57] non kekulizable aromatic bond being treated as bond order 1 187: [07:03:57] non kekulizable aromatic bond being treated as bond order 1 186: ... 186: ---------------------------------------------------------------------- 186: Ran 3 tests in 0.287s 186: 186: OK 182/256 Test #186: pyNewEnumerateStereoisomers ............ Passed 0.40 sec test 188 Start 188: pyCIPLabelsWrapTest 188: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py" 188: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap 188: Test timeout computed to be: 7200 187: [07:03:58] Interrupted, cancelling CIP label calculation 188: .... 188: ---------------------------------------------------------------------- 188: Ran 4 tests in 0.008s 188: 188: OK 187: [07:03:58] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 187: [07:03:58] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 183/256 Test #188: pyCIPLabelsWrapTest .................... Passed 0.12 sec test 189 Start 189: pyCIPLabelsValidation 189: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py" 189: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap 189: Test timeout computed to be: 7200 187: =============================================================================== 187: All tests passed (6623 assertions in 22 test cases) 187: 184/256 Test #187: testCIPLabeler ......................... Passed 0.45 sec test 190 Start 190: deprotectTest 190: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/deprotectTest 190: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect 190: Test timeout computed to be: 7200 190: Randomness seeded to: 2826748273 190: =============================================================================== 190: All tests passed (111 assertions in 3 test cases) 190: 185/256 Test #190: deprotectTest .......................... Passed 0.07 sec test 191 Start 191: pyDeprotect 191: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Deprotect/Wrap/rough_test.py" 191: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap 191: Test timeout computed to be: 7200 191: ..... 191: ---------------------------------------------------------------------- 191: Ran 5 tests in 0.036s 191: 191: OK 191: Testing tert-butyldimethylsilyl 191: Testing methoxytrityl 191: Testing tetrahydropyranyl 191: Testing methoxymethyl_ether 191: Testing beta-Methoxyethoxymethyl_ether 191: Testing benzyl 191: Testing trimethylsilyl 191: Testing benzoyl 191: Testing pivaloyl 191: Testing triisopropylsilyl 191: Testing acetyl 191: Testing para-methoxybenzyl_ether 191: Testing triphenylmethyl 191: Testing phthaloyl 191: Testing trimethylsilylethoxymethyl 191: Testing para-methoxyphenyl 191: Testing tosyl 191: Testing tert-butyloxycarbonyl 191: Testing trifluoroacetyl 191: Testing benzoyl 191: Testing 9-fluorenylmethyloxycarbonyl 191: Testing benzylamine 191: Testing acetamide 191: Testing carbobenzyloxy 191: Testing Acetal/Ketal 191: Testing tert-butyldimethylsilyl 191: Testing methoxytrityl 191: Testing tetrahydropyranyl 191: Testing methoxymethyl_ether 191: Testing beta-Methoxyethoxymethyl_ether 191: Testing benzyl 191: Testing trimethylsilyl 191: Testing benzoyl 191: Testing pivaloyl 191: Testing triisopropylsilyl 191: Testing acetyl 191: Testing para-methoxybenzyl_ether 191: Testing triphenylmethyl 191: Testing phthaloyl 191: Testing trimethylsilylethoxymethyl 191: Testing para-methoxyphenyl 191: Testing tosyl 191: Testing tert-butyloxycarbonyl 191: Testing trifluoroacetyl 191: Testing benzoyl 191: Testing 9-fluorenylmethyloxycarbonyl 191: Testing benzylamine 191: Testing acetamide 191: Testing carbobenzyloxy 191: Testing Acetal/Ketal 186/256 Test #191: pyDeprotect ............................ Passed 0.25 sec test 192 Start 192: testReducedGraphs 192: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/testReducedGraphs 192: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs 192: Test timeout computed to be: 7200 192: 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, 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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, 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, ] 192: 187/256 Test #192: testReducedGraphs ...................... Passed 0.04 sec test 193 Start 193: pyReducedGraphs 193: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py" 193: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap 193: Test timeout computed to be: 7200 151: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O 193: ..... 193: ---------------------------------------------------------------------- 193: Ran 5 tests in 0.011s 193: 193: OK 188/256 Test #193: pyReducedGraphs ........................ Passed 0.35 sec test 194 Start 194: trajectoryTest 194: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory/trajectoryTest 194: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory 194: Test timeout computed to be: 7200 189/256 Test #194: trajectoryTest ......................... Passed 0.33 sec test 195 Start 195: substructLibraryTest 195: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest 195: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary 195: Test timeout computed to be: 7200 151: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21 151: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2 151: CN1CC[C@H]2COc3c(O)cccc3[C@H]21 151: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 151: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1 189: VS001: PASSED 189: VS002: PASSED 189: VS003: PASSED 189: VS004: PASSED 189: VS005: PASSED 189: VS006: PASSED 189: VS007: PASSED 189: VS008: PASSED 189: VS009: PASSED 189: VS010: PASSED 189: VS011: PASSED 189: VS012: PASSED 189: VS013: PASSED 189: VS014: PASSED 189: VS015: PASSED 189: VS016: PASSED 189: VS017: PASSED 189: VS018: PASSED 189: VS019: PASSED 189: VS020: PASSED 189: VS021: PASSED 189: VS022: PASSED 189: VS023: PASSED 189: VS024: PASSED 189: VS025: PASSED 189: VS026: PASSED 189: VS027: PASSED 189: VS028: PASSED 189: VS029: PASSED 189: VS030: PASSED 189: VS031: PASSED 189: VS032: PASSED 189: VS033: PASSED 189: VS034: PASSED 189: VS035: PASSED 189: VS036: PASSED 189: VS037: PASSED 189: VS038: PASSED 189: VS039: PASSED 189: VS040: PASSED 189: VS041: PASSED 189: VS042: PASSED 189: VS043: PASSED 189: VS044: PASSED 189: VS045: PASSED 189: VS046: PASSED 189: VS047: PASSED 189: VS048: PASSED 189: VS049: PASSED 189: VS050: PASSED 189: VS051: PASSED 189: VS052: PASSED 189: VS053: PASSED 189: VS054: PASSED 189: VS055: PASSED 189: VS056: PASSED 189: VS057: PASSED 189: VS058: PASSED 189: VS059: PASSED 189: VS060: PASSED 189: VS061: PASSED 189: VS062: PASSED 189: VS063: PASSED 189: VS064: PASSED 189: VS065: PASSED 189: VS066: PASSED 189: VS067: PASSED 189: VS068: PASSED 189: VS069: PASSED 189: VS070: PASSED 189: VS071: PASSED 189: VS072: PASSED 189: VS073: PASSED 189: VS074: 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VS127: PASSED 189: VS128: PASSED 189: VS129: PASSED 189: VS130: PASSED 189: VS131: PASSED 189: VS132: PASSED 189: VS133: PASSED 189: VS134: PASSED 189: VS135: PASSED 189: VS136: PASSED 189: VS137: PASSED 189: VS138: PASSED 189: VS139: PASSED 189: VS140: PASSED 189: VS141: PASSED 189: VS142: PASSED 189: VS143: PASSED 189: VS144: PASSED 189: VS145: PASSED 189: VS146: PASSED 189: VS147: PASSED 189: VS148: PASSED 189: VS149: PASSED 189: VS150: PASSED 189: VS151: PASSED 189: VS152: PASSED 189: VS153: PASSED 189: VS154: PASSED 189: VS155: PASSED 189: VS156: PASSED 189: VS157: PASSED 189: VS158: PASSED 189: VS159: PASSED 189: VS160: PASSED 189: VS161: PASSED 189: VS162: PASSED 189: VS163: PASSED 189: VS164: PASSED 189: VS165: PASSED 189: VS166: PASSED 189: VS167: PASSED 189: VS168: PASSED 189: VS169: PASSED 189: VS170: PASSED 189: VS171: PASSED 189: VS172: PASSED 189: VS173: PASSED 189: VS174: PASSED 189: VS175: PASSED 189: VS176: PASSED 189: VS177: PASSED 189: VS178: PASSED 189: VS179: PASSED 189: VS180: PASSED 189: VS181: PASSED 189: VS182: PASSED 189: VS183: PASSED 189: VS184: PASSED 189: VS185: PASSED 189: VS186: PASSED 189: VS187: PASSED 189: VS188: PASSED 189: VS189: PASSED 189: VS190: PASSED 189: VS191: PASSED 189: VS192: PASSED 189: VS193: PASSED 189: VS194: PASSED 189: VS195: PASSED 189: VS196: PASSED 189: VS197: PASSED 189: VS198: PASSED 189: VS199: PASSED 189: VS200: PASSED 189: VS201: PASSED 189: VS202: PASSED 189: VS203: PASSED 189: VS204: PASSED 189: VS205: PASSED 189: VS206: PASSED 189: VS207: PASSED 189: VS208: PASSED 189: VS209: PASSED 189: VS210: PASSED 189: VS211: PASSED 189: VS212: PASSED 189: VS213: PASSED 189: VS214: PASSED 189: VS215: PASSED 189: VS216: PASSED 189: VS217: PASSED 189: VS218: PASSED 189: VS219: PASSED 189: VS220: PASSED 189: VS221: PASSED 189: VS222: PASSED 189: VS223: PASSED 189: VS224: PASSED 189: VS225: PASSED 189: VS226: PASSED 189: VS227: PASSED 189: VS228: PASSED 189: VS229: PASSED 189: VS230: PASSED 189: VS231: PASSED 189: VS232: PASSED 189: VS233: PASSED 189: VS234: PASSED 189: VS235: PASSED 189: VS236: PASSED 189: VS237: PASSED 189: VS238: PASSED 189: VS239: PASSED 189: VS240: PASSED 189: VS241: PASSED 189: VS242: PASSED 189: VS243: PASSED 189: VS244: PASSED 189: VS245: PASSED 189: VS246: PASSED 189: VS247: PASSED 189: VS248: PASSED 189: VS249: PASSED 189: VS250: PASSED 189: VS251: PASSED 189: VS252: PASSED 189: VS253: PASSED 189: VS254: PASSED 189: VS255: PASSED 189: VS256: PASSED 189: VS257: PASSED 189: VS258: PASSED 189: VS259: PASSED 189: VS260: PASSED 189: VS261: PASSED 189: VS262: PASSED 189: VS263: PASSED 189: VS264: PASSED 189: VS265: PASSED 189: VS266: PASSED 189: VS267: PASSED 189: VS268: PASSED 189: VS269: PASSED 189: VS270: PASSED 189: VS271: PASSED 189: VS272: PASSED 189: VS273: PASSED 189: VS274: PASSED 189: VS275: PASSED 189: VS276: PASSED 189: VS277: PASSED 189: VS278: PASSED 189: VS279: PASSED 189: VS280: PASSED 189: VS281: PASSED 189: VS282: PASSED 189: VS283: PASSED 189: VS284: PASSED 189: VS285: PASSED 189: VS286: PASSED 189: VS287: PASSED 189: VS288: PASSED 189: VS289: PASSED 189: VS290: PASSED 189: VS291: PASSED 189: VS292: PASSED 189: VS293: PASSED 189: VS294: PASSED 189: VS295: PASSED 189: VS296: PASSED 189: VS297: PASSED 189: VS298: PASSED 189: VS299: PASSED 189: VS300: PASSED 189: Check finished: 0 molecules failed. 189: Failed: 190/256 Test #189: pyCIPLabelsValidation .................. Passed 3.83 sec test 196 Start 196: substructLibraryCatchTest 196: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest 196: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary 196: Test timeout computed to be: 7200 151: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 196: Randomness seeded to: 1369875462 196: =============================================================================== 196: All tests passed (171 assertions in 5 test cases) 196: 191/256 Test #196: substructLibraryCatchTest .............. Passed 0.35 sec test 197 Start 197: pySubstructLibrary 197: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py" 197: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap 197: Test timeout computed to be: 7200 151: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O 195: Randomness seeded to: 2568275882 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^[07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax errorSMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: ' while parsing: dsafsdf 195: dsafsdf' 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf' 195: 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1:[07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^[07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdfdsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES' 195: SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[07:04:02] [07:04:02] ' 195: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[07:04:02] SMILES Parse Error: syntax error while parsing: 195: [07:04:02] SMILES Parse Error: syntax errordsafsdf 195: [07:04:02] SMILES while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES[07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1:[07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: ' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES[07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf[07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf[07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] SMILES Parse Error: syntax error while parsing: dsafsdf 195: [07:04:02] SMILES Parse Error: check for mistakes around position 1: 195: [07:04:02] dsafsdf 195: [07:04:02] ^ 195: [07:04:02] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 195: [07:04:02] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring... 195: =============================================================================== 195: All tests passed (36654 assertions in 15 test cases) 195: 192/256 Test #195: substructLibraryTest ................... Passed 3.62 sec test 198 Start 198: testRGroupDecomp 198: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecomp 198: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition 198: Test timeout computed to be: 7200 151: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O 198: Randomness seeded to: 504261204 198: [07:04:03] Non terminal R group defined. To allow set allowNonTerminalRGroups in RGroupDecompositionParameters 198: [07:04:03] WARNING: not removing hydrogen atom with dummy atom neighbors 151: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 151: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5 151: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2 185: Randomness seeded to: 2594108007 185: =============================================================================== 185: All tests passed (90 assertions in 16 test cases) 185: 193/256 Test #185: testEnumerateStereoisomers ............. Passed 27.41 sec test 199 Start 199: testRGroupDecompInternals 199: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals 199: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition 199: Test timeout computed to be: 7200 199: Randomness seeded to: 1814782366 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: [07:04:05] WARNING: not removing hydrogen atom with dummy atom neighbors 199: =============================================================================== 199: All tests passed (26 assertions in 3 test cases) 199: 194/256 Test #199: testRGroupDecompInternals .............. Passed 0.03 sec test 200 Start 200: rgroupCatchTests 200: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/rgroupCatchTests 200: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition 200: Test timeout computed to be: 7200 197: ......[07:04:05] 197: 197: **** 197: Pre-condition Violation 197: RingInfo not initialized 197: Violation occurred on line 52 in file ./Code/GraphMol/RingInfo.cpp 197: Failed Expression: df_init 197: ---------- 197: Stacktrace: 197: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 197: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 197: 2# RDKit::RingInfo::numAtomRings(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 197: 3# 0x00000000000BFC31 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1 197: 4# RDKit::AtomRingQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1 197: 5# Queries::AndQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 197: 6# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 197: 7# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 197: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 197: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 197: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 197: 11# bool RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 12# bool RDKit::HasSubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 13# 0x0000000000282DB0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 14# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 197: 15# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 197: 16# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 21# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 22# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 23# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 24# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 25# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 197: 30# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 197: 31# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 197: 32# _PyObject_MakeTpCall in /usr/bin/python3 197: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 34# 0x0000000000186F24 in /usr/bin/python3 197: 35# 0x00000000001E4E20 in /usr/bin/python3 197: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 37# 0x000000000012F92A in /usr/bin/python3 197: 38# 0x0000000000226ECB in /usr/bin/python3 197: 39# _PyObject_MakeTpCall in /usr/bin/python3 197: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 41# 0x0000000000186F24 in /usr/bin/python3 197: 42# 0x00000000001E4E20 in /usr/bin/python3 197: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 44# 0x000000000012F92A in /usr/bin/python3 197: 45# 0x0000000000226ECB in /usr/bin/python3 197: 46# _PyObject_MakeTpCall in /usr/bin/python3 197: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 48# 0x0000000000186F24 in /usr/bin/python3 197: 49# 0x00000000001E4E20 in /usr/bin/python3 197: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 51# 0x000000000012F92A in /usr/bin/python3 197: 52# 0x0000000000226ECB in /usr/bin/python3 197: 53# _PyObject_MakeTpCall in /usr/bin/python3 197: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 55# 0x000000000012F92A in /usr/bin/python3 197: 56# 0x000000000018FD4C in /usr/bin/python3 197: 57# _PyObject_MakeTpCall in /usr/bin/python3 197: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 59# PyEval_EvalCode in /usr/bin/python3 197: 60# 0x00000000002BCB1F in /usr/bin/python3 197: 61# 0x00000000002B8C80 in /usr/bin/python3 197: 62# 0x00000000002B874E in /usr/bin/python3 197: 63# 0x00000000002B80C2 in /usr/bin/python3 197: 64# Py_RunMain in /usr/bin/python3 197: 65# Py_BytesMain in /usr/bin/python3 197: 66# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 197: 67# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 197: 68# _start in /usr/bin/python3 197: ---------- 197: **** 197: 197: [07:04:05] 197: 197: **** 197: Pre-condition Violation 197: RingInfo not initialized 197: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp 197: Failed Expression: df_init 197: ---------- 197: Stacktrace: 197: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 197: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 197: 2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 197: 3# 0x00000000000EE980 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 197: 4# Queries::EqualityQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 197: 5# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 197: 6# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 197: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 197: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 197: 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-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 197: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1 197: 11# bool RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 12# bool RDKit::HasSubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 13# 0x0000000000282DB0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 14# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 197: 15# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 197: 16# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 21# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 22# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 23# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 24# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 25# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 197: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 197: 30# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 197: 31# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 197: 32# _PyObject_MakeTpCall in /usr/bin/python3 197: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 34# 0x0000000000186F24 in /usr/bin/python3 197: 35# 0x00000000001E4E20 in /usr/bin/python3 197: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 37# 0x000000000012F92A in /usr/bin/python3 197: 38# 0x0000000000226ECB in /usr/bin/python3 197: 39# _PyObject_MakeTpCall in /usr/bin/python3 197: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 41# 0x0000000000186F24 in /usr/bin/python3 197: 42# 0x00000000001E4E20 in /usr/bin/python3 197: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 44# 0x000000000012F92A in /usr/bin/python3 197: 45# 0x0000000000226ECB in /usr/bin/python3 197: 46# _PyObject_MakeTpCall in /usr/bin/python3 197: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 48# 0x0000000000186F24 in /usr/bin/python3 197: 49# 0x00000000001E4E20 in /usr/bin/python3 197: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 51# 0x000000000012F92A in /usr/bin/python3 197: 52# 0x0000000000226ECB in /usr/bin/python3 197: 53# _PyObject_MakeTpCall in /usr/bin/python3 197: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 55# 0x000000000012F92A in /usr/bin/python3 197: 56# 0x000000000018FD4C in /usr/bin/python3 197: 57# _PyObject_MakeTpCall in /usr/bin/python3 197: 58# _PyEval_EvalFrameDefault in /usr/bin/python3 197: 59# PyEval_EvalCode in /usr/bin/python3 197: 60# 0x00000000002BCB1F in /usr/bin/python3 197: 61# 0x00000000002B8C80 in /usr/bin/python3 197: 62# 0x00000000002B874E in /usr/bin/python3 197: 63# 0x00000000002B80C2 in /usr/bin/python3 197: 64# Py_RunMain in /usr/bin/python3 197: 65# Py_BytesMain in /usr/bin/python3 197: 66# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 197: 67# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 197: 68# _start in /usr/bin/python3 197: ---------- 197: **** 197: 151: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5 200: Randomness seeded to: 3962794929 200: =============================================================================== 200: All tests passed (1504 assertions in 16 test cases) 200: 195/256 Test #200: rgroupCatchTests ....................... Passed 0.26 sec test 201 Start 201: pyRGroupDecomposition 201: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py" 201: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap 201: Test timeout computed to be: 7200 151: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1 151: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1 201: ..................... 201: ---------------------------------------------------------------------- 201: Ran 21 tests in 0.839s 201: 201: OK 196/256 Test #201: pyRGroupDecomposition .................. Passed 0.97 sec test 202 Start 202: determineBondsCatchTest 202: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DetermineBonds/determineBondsCatchTest 202: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DetermineBonds 202: Test timeout computed to be: 7200 198: [07:04:07] Relabelling existing label 202: Randomness seeded to: 3900068329 202: [07:04:07] Interrupted, cancelling determine Bond Orders 202: =============================================================================== 202: All tests passed (5192 assertions in 12 test cases) 202: 197/256 Test #202: determineBondsCatchTest ................ Passed 0.27 sec test 203 Start 203: pyDetermineBonds 203: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/DetermineBonds/Wrap/testDetermineBonds.py" 203: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/DetermineBonds/Wrap 203: Test timeout computed to be: 7200 151: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1 203: .s... 203: ---------------------------------------------------------------------- 203: Ran 5 tests in 0.030s 203: 203: OK (skipped=1) 198/256 Test #203: pyDetermineBonds ....................... Passed 0.15 sec test 204 Start 204: molInterchangeTest1 204: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeTest1 204: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange 204: Test timeout computed to be: 7200 204: [07:04:07] test1: basics 204: [07:04:07] done 204: [07:04:07] test2: basic writing 204: {"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":"2026.03.4"}]}]} 204: {"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":"2026.03.4","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]} 204: {"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":"2026.03.4","aromaticAtoms":[0,1,2,3,4,5],"aromaticBonds":[0,1,2,3,4,5],"atomRings":[[0,5,4,3,2,1]]}]}]} 204: {"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":"2026.03.4","aromaticAtoms":[2,3,5,6,8,9],"aromaticBonds":[2,4,5,7,8,9],"atomRings":[[2,9,8,6,5,3]]}]}]} 204: [07:04:07] done 204: [07:04:07] test3: writing conformers 204: {"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":"2026.03.4","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2026.03.4","values":[-3.52E-1,2.73E-1,-5.5E-2,-1.98E-1,2.15E-1,1.17E-1]}]}]} 204: [07:04:07] done 204: [07:04:07] test4: writing properties 204: {"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":"2026.03.4"}]}]} 204: [07:04:07] done 204: [07:04:07] test5: writing partial charges 204: {"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":"2026.03.4"},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2026.03.4","values":[5E-1,-5E-1]}]}]} 204: [07:04:07] testing parse options 204: [07:04:07] done 204: [07:04:07] testing github #2046: CIPRank values from JSONDataToMols are not unsigned 204: {"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":"2026.03.4","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]} 204: [07:04:07] done 204: [07:04:07] testing 'either' stereochemistry 204: [07:04:07] done 199/256 Test #204: molInterchangeTest1 .................... Passed 0.02 sec test 205 Start 205: molInterchangeCatchTest 205: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeCatchTest 205: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange 205: Test timeout computed to be: 7200 198: =============================================================================== 198: All tests passed (931 assertions in 53 test cases) 198: 205: Randomness seeded to: 3521399836 205: [07:04:07] unrecognized bond type 12 set to zero while writing 205: [07:04:07] unrecognized bond type 0 set to zero while writing 205: [07:04:07] Warning: Could not convert property DATAFIELDS to a recognized type. Skipping it. 205: [07:04:07] Warning: Could not convert property DATAFIELDS to a recognized type. Skipping it. 205: [07:04:07] Warning: Could not convert property DATAFIELDS to a recognized type. Skipping it. 200/256 Test #198: testRGroupDecomp ....................... Passed 4.77 sec test 206 Start 206: pyMolInterchange 206: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py" 206: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap 206: Test timeout computed to be: 7200 151: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 205: =============================================================================== 205: All tests passed (147 assertions in 8 test cases) 205: 201/256 Test #205: molInterchangeCatchTest ................ Passed 0.02 sec test 207 Start 207: testSLNParse 207: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/testSLNParse 207: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse 207: Test timeout computed to be: 7200 207: Atoms: 207: 0 6 C chg: 1 deg: 5 exp: N/A imp: 0 hyb: 207: 1 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 207: 2 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 207: 3 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 207: 4 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 207: 5 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 207: Bonds: 207: 0 0->1 order: 1 207: 1 0->2 order: 1 207: 2 0->3 order: 1 207: 3 0->4 order: 1 207: 4 0->5 order: 1 207: [07:04:07] SLN Parse Error: syntax error while parsing: CH4[I=13] 207: [07:04:07] Failed parsing SLN 'CH4[I=13]' 207: [07:04:07] SLN Parser error: Atom ID 1 appears *after* its ring closure. 207: [07:04:07] SLN Parser error: Ring closure 1 does not have a corresponding opener. 207: [07:04:07] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2) 207: [07:04:07] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)' 207: [07:04:07] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1) 207: [07:04:07] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)' 207: [07:04:07] SLN Parse Error: syntax error while parsing: CH4 fff 207: [07:04:07] Failed parsing SLN 'CH4 fff' 207: [07:04:07] SLN Parse Error: syntax error while parsing: C[charge=+1] foo 207: [07:04:07] Failed parsing SLN 'C[charge=+1] foo' 207: [07:04:07] Query property 'is' ignored on non-query atom 207: [07:04:07] Query property 'is' ignored on non-query atom 202/256 Test #207: testSLNParse ........................... Passed 0.03 sec test 208 Start 208: pySLNParse 208: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/SLNParse/Wrap/testSLN.py" 208: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap 208: Test timeout computed to be: 7200 206: .. 206: ---------------------------------------------------------------------- 206: Ran 2 tests in 0.013s 206: 206: OK 203/256 Test #206: pyMolInterchange ....................... Passed 0.36 sec test 209 Start 209: pyGraphMolWrap 209: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/rough_test.py" 209: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 209: Test timeout computed to be: 7200 208: .. 208: ---------------------------------------------------------------------- 208: Ran 2 tests in 0.013s 208: 208: OK 204/256 Test #208: pySLNParse ............................. Passed 0.40 sec test 210 Start 210: pyTestGetPropDefault 210: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/testGetPropDefault.py" 210: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 210: Test timeout computed to be: 7200 152: [07:04:08] Interrupted, cancelling conformer generation 210: ============================= test session starts ============================== 210: platform linux -- Python 3.14.6, pytest-9.1.1, pluggy-1.6.0 210: rootdir: /build/reproducible-path/rdkit-202603.4 210: collected 42 items 210: 210: ../../../../Code/GraphMol/Wrap/testGetPropDefault.py ................... [ 45%] 210: ....................... [100%] 210: 210: ============================== 42 passed in 0.14s ============================== 209: ..............[07:04:08] SMARTS Parse Error: syntax error while parsing: fiib 209: [07:04:08] SMARTS Parse Error: check for mistakes around position 1: 209: [07:04:08] fiib 209: [07:04:08] ^ 209: [07:04:08] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib' 205/256 Test #210: pyTestGetPropDefault ................... Passed 0.77 sec test 211 Start 211: pyTestConformerWrap 211: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/testConformer.py" 211: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 211: Test timeout computed to be: 7200 209: ....[07:04:08] ERROR: Problems encountered parsing data fields 209: [07:04:08] ERROR: moving to the beginning of the next molecule 209: [07:04:08] ERROR: Problems encountered parsing data fields 209: [07:04:08] ERROR: moving to the beginning of the next molecule 209: [07:04:08] Spurious data before the first property will be ignored 209: [07:04:08] Property will be truncated after the first blank line 209: [07:04:08] Property will be truncated after the first blank line 209: [07:04:08] Property will be truncated after the first blank line 209: [07:04:08] ERROR: Problems encountered parsing data fields 209: [07:04:08] ERROR: moving to the beginning of the next molecule 209: [07:04:08] ERROR: Problems encountered parsing data fields 209: [07:04:08] ERROR: moving to the beginning of the next molecule 209: [07:04:08] Spurious data before the first property will be ignored 209: [07:04:08] Property will be truncated after the first blank line 209: [07:04:08] Property will be truncated after the first blank line 209: [07:04:08] Property will be truncated after the first blank line 209: [07:04:08] ERROR: Problems encountered parsing data fields 209: [07:04:08] ERROR: moving to the beginning of the next molecule 209: [07:04:08] Property will be truncated after the first blank line 209: [07:04:08] ERROR: Problems encountered parsing data fields 209: [07:04:08] ERROR: moving to the beginning of the next molecule 209: [07:04:08] Property will be truncated after the first blank line 209: .[07:04:08] SMILES Parse Error: syntax error while parsing: fail 209: [07:04:08] SMILES Parse Error: check for mistakes around position 1: 209: [07:04:08] fail 209: [07:04:08] ^ 209: [07:04:08] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail' 209: [07:04:08] ERROR: Smiles parse error on line 2 209: [07:04:08] ERROR: Cannot create molecule from : 'fail' 209: >>> This may result in an infinite loop. It should finish almost instantly 209: <<< OK, it finished. 209: ............[07:04:08] Explicit valence for atom # 1 C, 5, is greater than permitted 209: .../usr/lib/python3.14/tempfile.py:484: ResourceWarning: Implicitly cleaning up <_TemporaryFileWrapper file=<_io.BufferedRandom name='/tmp/tmpr3pe1e41.sdf'>> 209: _warnings.warn(self.warn_message, ResourceWarning) 209: ...[07:04:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 209: [07:04:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 209: [07:04:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 209: [07:04:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 209: .........[07:04:08] non-ring atom 0 marked aromatic 209: [07:04:08] non-ring atom 0 marked aromatic 209: [07:04:08] non-ring atom 0 marked aromatic 209: [07:04:08] non-ring atom 0 marked aromatic 209: [07:04:08] 209: 209: **** 209: Range Error 209: idx 209: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 209: Failed Expression: 12 < 6 209: ---------- 209: Stacktrace: 209: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 209: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 209: 4# 0x00000000002A981A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 17# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 18# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 19# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 20# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 21# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 27# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 28# _PyObject_MakeTpCall in /usr/bin/python3 209: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 30# 0x0000000000186F24 in /usr/bin/python3 209: 31# 0x00000000001E4E20 in /usr/bin/python3 209: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 33# 0x000000000012F92A in /usr/bin/python3 209: 34# 0x0000000000226ECB in /usr/bin/python3 209: 35# _PyObject_MakeTpCall in /usr/bin/python3 209: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 37# 0x0000000000186F24 in /usr/bin/python3 209: 38# 0x00000000001E4E20 in /usr/bin/python3 209: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 40# 0x000000000012F92A in /usr/bin/python3 209: 41# 0x0000000000226ECB in /usr/bin/python3 209: 42# _PyObject_MakeTpCall in /usr/bin/python3 209: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 44# 0x0000000000186F24 in /usr/bin/python3 209: 45# 0x00000000001E4E20 in /usr/bin/python3 209: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 47# 0x000000000012F92A in /usr/bin/python3 209: 48# 0x0000000000226ECB in /usr/bin/python3 209: 49# _PyObject_MakeTpCall in /usr/bin/python3 209: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 51# 0x000000000012F92A in /usr/bin/python3 209: 52# 0x000000000018FD4C in /usr/bin/python3 209: 53# _PyObject_MakeTpCall in /usr/bin/python3 209: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 55# PyEval_EvalCode in /usr/bin/python3 209: 56# 0x00000000002BCB1F in /usr/bin/python3 209: 57# 0x00000000002B8C80 in /usr/bin/python3 209: 58# 0x00000000002B874E in /usr/bin/python3 209: 59# 0x00000000002B80C2 in /usr/bin/python3 209: 60# Py_RunMain in /usr/bin/python3 209: 61# Py_BytesMain in /usr/bin/python3 209: 62# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 63# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 64# _start in /usr/bin/python3 209: ---------- 209: **** 209: 209: [07:04:08] non-ring atom 0 marked aromatic 209: [07:04:08] non-ring atom 0 marked aromatic 209: [07:04:08] non-ring atom 0 marked aromatic 209: [07:04:08] non-ring atom 0 marked aromatic 209: [07:04:08] 209: 209: **** 209: Range Error 209: idx 209: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 209: Failed Expression: 12 < 6 209: ---------- 209: Stacktrace: 209: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 209: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 209: 4# 0x00000000002A981A in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 17# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 18# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 19# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 20# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 21# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 27# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 28# _PyObject_MakeTpCall in /usr/bin/python3 209: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 30# 0x0000000000186F24 in /usr/bin/python3 209: 31# 0x00000000001E4E20 in /usr/bin/python3 209: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 33# 0x000000000012F92A in /usr/bin/python3 209: 34# 0x0000000000226ECB in /usr/bin/python3 209: 35# _PyObject_MakeTpCall in /usr/bin/python3 209: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 37# 0x0000000000186F24 in /usr/bin/python3 209: 38# 0x00000000001E4E20 in /usr/bin/python3 209: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 40# 0x000000000012F92A in /usr/bin/python3 209: 41# 0x0000000000226ECB in /usr/bin/python3 209: 42# _PyObject_MakeTpCall in /usr/bin/python3 209: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 44# 0x0000000000186F24 in /usr/bin/python3 209: 45# 0x00000000001E4E20 in /usr/bin/python3 209: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 47# 0x000000000012F92A in /usr/bin/python3 209: 48# 0x0000000000226ECB in /usr/bin/python3 209: 49# _PyObject_MakeTpCall in /usr/bin/python3 209: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 51# 0x000000000012F92A in /usr/bin/python3 209: 52# 0x000000000018FD4C in /usr/bin/python3 209: 53# _PyObject_MakeTpCall in /usr/bin/python3 209: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 55# PyEval_EvalCode in /usr/bin/python3 209: 56# 0x00000000002BCB1F in /usr/bin/python3 209: 57# 0x00000000002B8C80 in /usr/bin/python3 209: 58# 0x00000000002B874E in /usr/bin/python3 209: 59# 0x00000000002B80C2 in /usr/bin/python3 209: 60# Py_RunMain in /usr/bin/python3 209: 61# Py_BytesMain in /usr/bin/python3 209: 62# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 63# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 64# _start in /usr/bin/python3 209: ---------- 209: **** 209: 209: ...............[07:04:08] 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. 209: [07:04:08] 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. 209: ..............[07:04:08] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 209: [07:04:08] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 209: [07:04:08] Explicit valence for atom # 1 C, 5, is greater than permitted 152: [07:04:08] Interrupted, cancelling conformer generation 211: ...... 211: ---------------------------------------------------------------------- 211: Ran 6 tests in 0.059s 211: 211: OK 206/256 Test #211: pyTestConformerWrap .................... Passed 0.23 sec test 212 Start 212: pyTestTrajectory 212: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/testTrajectory.py" 212: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 212: Test timeout computed to be: 7200 212: [07:04:09] 212: 212: **** 212: Pre-condition Violation 212: from must be < size() 212: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: from < static_cast(size()) 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 11# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 21# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# _PyObject_MakeTpCall in /usr/bin/python3 212: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 24# 0x0000000000186F24 in /usr/bin/python3 212: 25# 0x00000000001E4E20 in /usr/bin/python3 212: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 27# 0x000000000012F92A in /usr/bin/python3 212: 28# 0x0000000000226ECB in /usr/bin/python3 212: 29# _PyObject_MakeTpCall in /usr/bin/python3 212: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 31# 0x0000000000186F24 in /usr/bin/python3 212: 32# 0x00000000001E4E20 in /usr/bin/python3 212: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 34# 0x000000000012F92A in /usr/bin/python3 212: 35# 0x0000000000226ECB in /usr/bin/python3 212: 36# _PyObject_MakeTpCall in /usr/bin/python3 212: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 38# 0x0000000000186F24 in /usr/bin/python3 212: 39# 0x00000000001E4E20 in /usr/bin/python3 212: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 41# 0x000000000012F92A in /usr/bin/python3 212: 42# 0x0000000000226ECB in /usr/bin/python3 212: 43# _PyObject_MakeTpCall in /usr/bin/python3 212: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 45# 0x000000000012F92A in /usr/bin/python3 212: 46# 0x000000000018FD4C in /usr/bin/python3 212: 47# _PyObject_MakeTpCall in /usr/bin/python3 212: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 49# PyEval_EvalCode in /usr/bin/python3 212: 50# 0x00000000002BCB1F in /usr/bin/python3 212: 51# 0x00000000002B8C80 in /usr/bin/python3 212: 52# 0x00000000002B874E in /usr/bin/python3 212: 53# 0x00000000002B80C2 in /usr/bin/python3 212: 54# Py_RunMain in /usr/bin/python3 212: 55# Py_BytesMain in /usr/bin/python3 212: 56# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 57# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# _start in /usr/bin/python3 212: ---------- 212: **** 212: 212: .[07:04:09] 212: 212: **** 212: Pre-condition Violation 212: from must be < size() 212: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: from < static_cast(size()) 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 11# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 21# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# _PyObject_MakeTpCall in /usr/bin/python3 212: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 24# 0x0000000000186F24 in /usr/bin/python3 212: 25# 0x00000000001E4E20 in /usr/bin/python3 212: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 27# 0x000000000012F92A in /usr/bin/python3 212: 28# 0x0000000000226ECB in /usr/bin/python3 212: 29# _PyObject_MakeTpCall in /usr/bin/python3 212: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 31# 0x0000000000186F24 in /usr/bin/python3 212: 32# 0x00000000001E4E20 in /usr/bin/python3 212: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 34# 0x000000000012F92A in /usr/bin/python3 212: 35# 0x0000000000226ECB in /usr/bin/python3 212: 36# _PyObject_MakeTpCall in /usr/bin/python3 212: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 38# 0x0000000000186F24 in /usr/bin/python3 212: 39# 0x00000000001E4E20 in /usr/bin/python3 212: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 41# 0x000000000012F92A in /usr/bin/python3 212: 42# 0x0000000000226ECB in /usr/bin/python3 212: 43# _PyObject_MakeTpCall in /usr/bin/python3 212: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 45# 0x000000000012F92A in /usr/bin/python3 212: 46# 0x000000000018FD4C in /usr/bin/python3 212: 47# _PyObject_MakeTpCall in /usr/bin/python3 212: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 49# PyEval_EvalCode in /usr/bin/python3 212: 50# 0x00000000002BCB1F in /usr/bin/python3 212: 51# 0x00000000002B8C80 in /usr/bin/python3 212: 52# 0x00000000002B874E in /usr/bin/python3 212: 53# 0x00000000002B80C2 in /usr/bin/python3 212: 54# Py_RunMain in /usr/bin/python3 212: 55# Py_BytesMain in /usr/bin/python3 212: 56# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 57# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# _start in /usr/bin/python3 212: ---------- 212: **** 212: 209: ............................[07:04:09] unable to set wavy bonds for double bonds: 3 209: ..............[07:04:09] 209: 209: **** 209: Range Error 209: idx 209: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 209: Failed Expression: 6 < 5 209: ---------- 209: Stacktrace: 209: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 209: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 209: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 17# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 18# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 19# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 20# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 21# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 27# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 28# _PyObject_MakeTpCall in /usr/bin/python3 209: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 30# 0x0000000000186F24 in /usr/bin/python3 209: 31# 0x00000000001E4E20 in /usr/bin/python3 209: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 33# 0x000000000012F92A in /usr/bin/python3 209: 34# 0x0000000000226ECB in /usr/bin/python3 209: 35# _PyObject_MakeTpCall in /usr/bin/python3 209: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 37# 0x0000000000186F24 in /usr/bin/python3 209: 38# 0x00000000001E4E20 in /usr/bin/python3 209: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 40# 0x000000000012F92A in /usr/bin/python3 209: 41# 0x0000000000226ECB in /usr/bin/python3 209: 42# _PyObject_MakeTpCall in /usr/bin/python3 209: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 44# 0x0000000000186F24 in /usr/bin/python3 209: 45# 0x00000000001E4E20 in /usr/bin/python3 209: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 47# 0x000000000012F92A in /usr/bin/python3 209: 48# 0x0000000000226ECB in /usr/bin/python3 209: 49# _PyObject_MakeTpCall in /usr/bin/python3 209: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 51# 0x000000000012F92A in /usr/bin/python3 209: 52# 0x000000000018FD4C in /usr/bin/python3 209: 53# _PyObject_MakeTpCall in /usr/bin/python3 209: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 55# PyEval_EvalCode in /usr/bin/python3 209: 56# 0x00000000002BCB1F in /usr/bin/python3 209: 57# 0x00000000002B8C80 in /usr/bin/python3 209: 58# 0x00000000002B874E in /usr/bin/python3 209: 59# 0x00000000002B80C2 in /usr/bin/python3 209: 60# Py_RunMain in /usr/bin/python3 209: 61# Py_BytesMain in /usr/bin/python3 209: 62# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 63# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 64# _start in /usr/bin/python3 209: ---------- 209: **** 209: 212: .[07:04:09] 212: 212: **** 212: Range Error 212: snapshotNum 212: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: 0 < 0 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 16# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 21# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 23# _PyObject_MakeTpCall in /usr/bin/python3 212: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 25# 0x0000000000186F24 in /usr/bin/python3 212: 26# 0x00000000001E4E20 in /usr/bin/python3 212: 27# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 28# 0x000000000012F92A in /usr/bin/python3 212: 29# 0x0000000000226ECB in /usr/bin/python3 212: 30# _PyObject_MakeTpCall in /usr/bin/python3 212: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 32# 0x0000000000186F24 in /usr/bin/python3 212: 33# 0x00000000001E4E20 in /usr/bin/python3 212: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 35# 0x000000000012F92A in /usr/bin/python3 212: 36# 0x0000000000226ECB in /usr/bin/python3 212: 37# _PyObject_MakeTpCall in /usr/bin/python3 212: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 39# 0x0000000000186F24 in /usr/bin/python3 212: 40# 0x00000000001E4E20 in /usr/bin/python3 212: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 42# 0x000000000012F92A in /usr/bin/python3 212: 43# 0x0000000000226ECB in /usr/bin/python3 212: 44# _PyObject_MakeTpCall in /usr/bin/python3 212: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 46# 0x000000000012F92A in /usr/bin/python3 212: 47# 0x000000000018FD4C in /usr/bin/python3 212: 48# _PyObject_MakeTpCall in /usr/bin/python3 212: 49# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 50# PyEval_EvalCode in /usr/bin/python3 212: 51# 0x00000000002BCB1F in /usr/bin/python3 212: 52# 0x00000000002B8C80 in /usr/bin/python3 212: 53# 0x00000000002B874E in /usr/bin/python3 212: 54# 0x00000000002B80C2 in /usr/bin/python3 212: 55# Py_RunMain in /usr/bin/python3 212: 56# Py_BytesMain in /usr/bin/python3 212: 57# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 59# _start in /usr/bin/python3 212: ---------- 212: **** 212: 212: .[07:04:09] 212: 212: **** 212: Pre-condition Violation 212: The trajectory must have dimension == 3 212: Violation occurred on line 113 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: traj.dimension() == 3 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::readAmberTrajectory(std::__cxx11::basic_string, std::allocator > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 11# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 21# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# _PyObject_MakeTpCall in /usr/bin/python3 212: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 24# 0x0000000000186F24 in /usr/bin/python3 212: 25# 0x00000000001E4E20 in /usr/bin/python3 212: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 27# 0x000000000012F92A in /usr/bin/python3 212: 28# 0x0000000000226ECB in /usr/bin/python3 212: 29# _PyObject_MakeTpCall in /usr/bin/python3 212: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 31# 0x0000000000186F24 in /usr/bin/python3 212: 32# 0x00000000001E4E20 in /usr/bin/python3 212: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 34# 0x000000000012F92A in /usr/bin/python3 212: 35# 0x0000000000226ECB in /usr/bin/python3 212: 36# _PyObject_MakeTpCall in /usr/bin/python3 212: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 38# 0x0000000000186F24 in /usr/bin/python3 212: 39# 0x00000000001E4E20 in /usr/bin/python3 212: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 41# 0x000000000012F92A in /usr/bin/python3 212: 42# 0x0000000000226ECB in /usr/bin/python3 212: 43# _PyObject_MakeTpCall in /usr/bin/python3 212: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 45# 0x000000000012F92A in /usr/bin/python3 212: 46# 0x000000000018FD4C in /usr/bin/python3 212: 47# _PyObject_MakeTpCall in /usr/bin/python3 212: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 49# PyEval_EvalCode in /usr/bin/python3 212: 50# 0x00000000002BCB1F in /usr/bin/python3 212: 51# 0x00000000002B8C80 in /usr/bin/python3 212: 52# 0x00000000002B874E in /usr/bin/python3 212: 53# 0x00000000002B80C2 in /usr/bin/python3 212: 54# Py_RunMain in /usr/bin/python3 212: 55# Py_BytesMain in /usr/bin/python3 212: 56# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 57# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# _start in /usr/bin/python3 212: ---------- 212: **** 212: 212: ..[07:04:09] 212: 212: **** 212: Pre-condition Violation 212: The trajectory must have dimension == 3 212: Violation occurred on line 154 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: traj.dimension() == 3 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::readGromosTrajectory(std::__cxx11::basic_string, std::allocator > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 11# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 21# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# _PyObject_MakeTpCall in /usr/bin/python3 212: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 24# 0x0000000000186F24 in /usr/bin/python3 212: 25# 0x00000000001E4E20 in /usr/bin/python3 212: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 27# 0x000000000012F92A in /usr/bin/python3 212: 28# 0x0000000000226ECB in /usr/bin/python3 212: 29# _PyObject_MakeTpCall in /usr/bin/python3 212: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 31# 0x0000000000186F24 in /usr/bin/python3 212: 32# 0x00000000001E4E20 in /usr/bin/python3 212: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 34# 0x000000000012F92A in /usr/bin/python3 212: 35# 0x0000000000226ECB in /usr/bin/python3 212: 36# _PyObject_MakeTpCall in /usr/bin/python3 212: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 38# 0x0000000000186F24 in /usr/bin/python3 212: 39# 0x00000000001E4E20 in /usr/bin/python3 212: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 41# 0x000000000012F92A in /usr/bin/python3 212: 42# 0x0000000000226ECB in /usr/bin/python3 212: 43# _PyObject_MakeTpCall in /usr/bin/python3 212: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 45# 0x000000000012F92A in /usr/bin/python3 212: 46# 0x000000000018FD4C in /usr/bin/python3 212: 47# _PyObject_MakeTpCall in /usr/bin/python3 212: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 49# PyEval_EvalCode in /usr/bin/python3 212: 50# 0x00000000002BCB1F in /usr/bin/python3 212: 51# 0x00000000002B8C80 in /usr/bin/python3 212: 52# 0x00000000002B874E in /usr/bin/python3 212: 53# 0x00000000002B80C2 in /usr/bin/python3 212: 54# Py_RunMain in /usr/bin/python3 212: 55# Py_BytesMain in /usr/bin/python3 212: 56# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 57# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# _start in /usr/bin/python3 212: ---------- 212: **** 212: 212: .[07:04:09] 212: 212: **** 212: Pre-condition Violation 212: d_pos must not be NULL 212: Violation occurred on line 23 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: d_pos 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 11# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 21# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# _PyObject_MakeTpCall in /usr/bin/python3 212: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 24# 0x0000000000186F24 in /usr/bin/python3 212: 25# 0x00000000001E4E20 in /usr/bin/python3 212: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 27# 0x000000000012F92A in /usr/bin/python3 212: 28# 0x0000000000226ECB in /usr/bin/python3 212: 29# _PyObject_MakeTpCall in /usr/bin/python3 212: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 31# 0x0000000000186F24 in /usr/bin/python3 212: 32# 0x00000000001E4E20 in /usr/bin/python3 212: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 34# 0x000000000012F92A in /usr/bin/python3 212: 35# 0x0000000000226ECB in /usr/bin/python3 212: 36# _PyObject_MakeTpCall in /usr/bin/python3 212: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 38# 0x0000000000186F24 in /usr/bin/python3 212: 39# 0x00000000001E4E20 in /usr/bin/python3 212: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 41# 0x000000000012F92A in /usr/bin/python3 212: 42# 0x0000000000226ECB in /usr/bin/python3 212: 43# _PyObject_MakeTpCall in /usr/bin/python3 212: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 45# 0x000000000012F92A in /usr/bin/python3 212: 46# 0x000000000018FD4C in /usr/bin/python3 212: 47# _PyObject_MakeTpCall in /usr/bin/python3 212: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 49# PyEval_EvalCode in /usr/bin/python3 212: 50# 0x00000000002BCB1F in /usr/bin/python3 212: 51# 0x00000000002B8C80 in /usr/bin/python3 212: 52# 0x00000000002B874E in /usr/bin/python3 212: 53# 0x00000000002B80C2 in /usr/bin/python3 212: 54# Py_RunMain in /usr/bin/python3 212: 55# Py_BytesMain in /usr/bin/python3 212: 56# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 57# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# _start in /usr/bin/python3 212: ---------- 212: **** 212: 212: [07:04:09] 212: 212: **** 212: Pre-condition Violation 212: d_trajectory must not be NULL 212: Violation occurred on line 24 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: d_trajectory 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 11# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 21# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# _PyObject_MakeTpCall in /usr/bin/python3 212: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 24# 0x0000000000186F24 in /usr/bin/python3 212: 25# 0x00000000001E4E20 in /usr/bin/python3 212: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 27# 0x000000000012F92A in /usr/bin/python3 212: 28# 0x0000000000226ECB in /usr/bin/python3 212: 29# _PyObject_MakeTpCall in /usr/bin/python3 212: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 31# 0x0000000000186F24 in /usr/bin/python3 212: 32# 0x00000000001E4E20 in /usr/bin/python3 212: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 34# 0x000000000012F92A in /usr/bin/python3 212: 35# 0x0000000000226ECB in /usr/bin/python3 212: 36# _PyObject_MakeTpCall in /usr/bin/python3 212: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 38# 0x0000000000186F24 in /usr/bin/python3 212: 39# 0x00000000001E4E20 in /usr/bin/python3 212: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 41# 0x000000000012F92A in /usr/bin/python3 212: 42# 0x0000000000226ECB in /usr/bin/python3 212: 43# _PyObject_MakeTpCall in /usr/bin/python3 212: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 45# 0x000000000012F92A in /usr/bin/python3 212: 46# 0x000000000018FD4C in /usr/bin/python3 212: 47# _PyObject_MakeTpCall in /usr/bin/python3 212: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 49# PyEval_EvalCode in /usr/bin/python3 212: 50# 0x00000000002BCB1F in /usr/bin/python3 212: 51# 0x00000000002B8C80 in /usr/bin/python3 212: 52# 0x00000000002B874E in /usr/bin/python3 212: 53# 0x00000000002B80C2 in /usr/bin/python3 212: 54# Py_RunMain in /usr/bin/python3 212: 55# Py_BytesMain in /usr/bin/python3 212: 56# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 57# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# _start in /usr/bin/python3 212: ---------- 212: **** 212: 212: .[07:04:09] 212: 212: **** 212: Range Error 212: snapshotNum 212: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: 5 < 5 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 16# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 21# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 23# _PyObject_MakeTpCall in /usr/bin/python3 212: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 25# 0x0000000000186F24 in /usr/bin/python3 212: 26# 0x00000000001E4E20 in /usr/bin/python3 212: 27# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 28# 0x000000000012F92A in /usr/bin/python3 212: 29# 0x0000000000226ECB in /usr/bin/python3 212: 30# _PyObject_MakeTpCall in /usr/bin/python3 212: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 32# 0x0000000000186F24 in /usr/bin/python3 212: 33# 0x00000000001E4E20 in /usr/bin/python3 212: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 35# 0x000000000012F92A in /usr/bin/python3 212: 36# 0x0000000000226ECB in /usr/bin/python3 212: 37# _PyObject_MakeTpCall in /usr/bin/python3 212: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 39# 0x0000000000186F24 in /usr/bin/python3 212: 40# 0x00000000001E4E20 in /usr/bin/python3 212: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 42# 0x000000000012F92A in /usr/bin/python3 212: 43# 0x0000000000226ECB in /usr/bin/python3 212: 44# _PyObject_MakeTpCall in /usr/bin/python3 212: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 46# 0x000000000012F92A in /usr/bin/python3 212: 47# 0x000000000018FD4C in /usr/bin/python3 212: 48# _PyObject_MakeTpCall in /usr/bin/python3 212: 49# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 50# PyEval_EvalCode in /usr/bin/python3 212: 51# 0x00000000002BCB1F in /usr/bin/python3 212: 52# 0x00000000002B8C80 in /usr/bin/python3 212: 53# 0x00000000002B874E in /usr/bin/python3 212: 54# 0x00000000002B80C2 in /usr/bin/python3 212: 55# Py_RunMain in /usr/bin/python3 212: 56# Py_BytesMain in /usr/bin/python3 212: 57# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 59# _start in /usr/bin/python3 212: ---------- 212: **** 212: 212: [07:04:09] 212: 212: **** 197: ............... 197: ---------------------------------------------------------------------- 197: Ran 21 tests in 6.881s 197: 197: OK 197: Testing atom rings 197: testing bond rings 197: searching atom rings 197: searching bond rings 197: done 212: Range Error 212: pointNum 212: Violation occurred on line 27 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: 10 < 10 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 11# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 21# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# _PyObject_MakeTpCall in /usr/bin/python3 212: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 24# 0x0000000000186F24 in /usr/bin/python3 212: 25# 0x00000000001E4E20 in /usr/bin/python3 212: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 27# 0x000000000012F92A in /usr/bin/python3 212: 28# 0x0000000000226ECB in /usr/bin/python3 212: 29# _PyObject_MakeTpCall in /usr/bin/python3 212: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 31# 0x0000000000186F24 in /usr/bin/python3 212: 32# 0x00000000001E4E20 in /usr/bin/python3 212: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 34# 0x000000000012F92A in /usr/bin/python3 212: 35# 0x0000000000226ECB in /usr/bin/python3 212: 36# _PyObject_MakeTpCall in /usr/bin/python3 212: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 38# 0x0000000000186F24 in /usr/bin/python3 212: 39# 0x00000000001E4E20 in /usr/bin/python3 212: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 41# 0x000000000012F92A in /usr/bin/python3 212: 42# 0x0000000000226ECB in /usr/bin/python3 212: 43# _PyObject_MakeTpCall in /usr/bin/python3 212: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 45# 0x000000000012F92A in /usr/bin/python3 212: 46# 0x000000000018FD4C in /usr/bin/python3 212: 47# _PyObject_MakeTpCall in /usr/bin/python3 212: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 49# PyEval_EvalCode in /usr/bin/python3 212: 50# 0x00000000002BCB1F in /usr/bin/python3 212: 51# 0x00000000002B8C80 in /usr/bin/python3 212: 52# 0x00000000002B874E in /usr/bin/python3 212: 53# 0x00000000002B80C2 in /usr/bin/python3 212: 54# Py_RunMain in /usr/bin/python3 212: 55# Py_BytesMain in /usr/bin/python3 212: 56# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 57# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# _start in /usr/bin/python3 212: ---------- 212: **** 212: 212: .[07:04:09] 212: 212: **** 212: Range Error 212: snapshotNum 212: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: 5 < 5 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 16# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 21# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 23# _PyObject_MakeTpCall in /usr/bin/python3 212: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 25# 0x0000000000186F24 in /usr/bin/python3 212: 26# 0x00000000001E4E20 in /usr/bin/python3 212: 27# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 28# 0x000000000012F92A in /usr/bin/python3 212: 29# 0x0000000000226ECB in /usr/bin/python3 212: 30# _PyObject_MakeTpCall in /usr/bin/python3 212: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 32# 0x0000000000186F24 in /usr/bin/python3 212: 33# 0x00000000001E4E20 in /usr/bin/python3 212: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 35# 0x000000000012F92A in /usr/bin/python3 212: 36# 0x0000000000226ECB in /usr/bin/python3 212: 37# _PyObject_MakeTpCall in /usr/bin/python3 212: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 39# 0x0000000000186F24 in /usr/bin/python3 212: 40# 0x00000000001E4E20 in /usr/bin/python3 212: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 42# 0x000000000012F92A in /usr/bin/python3 212: 43# 0x0000000000226ECB in /usr/bin/python3 212: 44# _PyObject_MakeTpCall in /usr/bin/python3 212: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 46# 0x000000000012F92A in /usr/bin/python3 212: 47# 0x000000000018FD4C in /usr/bin/python3 212: 48# _PyObject_MakeTpCall in /usr/bin/python3 212: 49# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 50# PyEval_EvalCode in /usr/bin/python3 212: 51# 0x00000000002BCB1F in /usr/bin/python3 212: 52# 0x00000000002B8C80 in /usr/bin/python3 212: 53# 0x00000000002B874E in /usr/bin/python3 212: 54# 0x00000000002B80C2 in /usr/bin/python3 212: 55# Py_RunMain in /usr/bin/python3 212: 56# Py_BytesMain in /usr/bin/python3 212: 57# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 59# _start in /usr/bin/python3 212: ---------- 212: **** 212: 212: [07:04:09] 212: 212: **** 212: Pre-condition Violation 212: d_dimension must be == 2 212: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: d_trajectory->dimension() == 2 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 11# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 21# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# _PyObject_MakeTpCall in /usr/bin/python3 212: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 24# 0x0000000000186F24 in /usr/bin/python3 212: 25# 0x00000000001E4E20 in /usr/bin/python3 212: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 27# 0x000000000012F92A in /usr/bin/python3 212: 28# 0x0000000000226ECB in /usr/bin/python3 212: 29# _PyObject_MakeTpCall in /usr/bin/python3 212: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 31# 0x0000000000186F24 in /usr/bin/python3 212: 32# 0x00000000001E4E20 in /usr/bin/python3 212: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 34# 0x000000000012F92A in /usr/bin/python3 212: 35# 0x0000000000226ECB in /usr/bin/python3 212: 36# _PyObject_MakeTpCall in /usr/bin/python3 212: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 38# 0x0000000000186F24 in /usr/bin/python3 212: 39# 0x00000000001E4E20 in /usr/bin/python3 212: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 41# 0x000000000012F92A in /usr/bin/python3 212: 42# 0x0000000000226ECB in /usr/bin/python3 212: 43# _PyObject_MakeTpCall in /usr/bin/python3 212: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 45# 0x000000000012F92A in /usr/bin/python3 212: 46# 0x000000000018FD4C in /usr/bin/python3 212: 47# _PyObject_MakeTpCall in /usr/bin/python3 212: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 49# PyEval_EvalCode in /usr/bin/python3 212: 50# 0x00000000002BCB1F in /usr/bin/python3 212: 51# 0x00000000002B8C80 in /usr/bin/python3 212: 52# 0x00000000002B874E in /usr/bin/python3 212: 53# 0x00000000002B80C2 in /usr/bin/python3 212: 54# Py_RunMain in /usr/bin/python3 212: 55# Py_BytesMain in /usr/bin/python3 212: 56# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 57# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# _start in /usr/bin/python3 212: ---------- 212: **** 212: 212: [07:04:09] 212: 212: **** 212: Pre-condition Violation 212: d_dimension must be == 2 212: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 212: Failed Expression: d_trajectory->dimension() == 2 212: ---------- 212: Stacktrace: 212: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 212: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1 212: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so 212: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 11# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 12# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 13# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 14# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 15# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 212: 20# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 21# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 212: 22# _PyObject_MakeTpCall in /usr/bin/python3 212: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 24# 0x0000000000186F24 in /usr/bin/python3 212: 25# 0x00000000001E4E20 in /usr/bin/python3 212: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 27# 0x000000000012F92A in /usr/bin/python3 212: 28# 0x0000000000226ECB in /usr/bin/python3 212: 29# _PyObject_MakeTpCall in /usr/bin/python3 212: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 31# 0x0000000000186F24 in /usr/bin/python3 212: 32# 0x00000000001E4E20 in /usr/bin/python3 212: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 34# 0x000000000012F92A in /usr/bin/python3 212: 35# 0x0000000000226ECB in /usr/bin/python3 212: 36# _PyObject_MakeTpCall in /usr/bin/python3 212: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 38# 0x0000000000186F24 in /usr/bin/python3 212: 39# 0x00000000001E4E20 in /usr/bin/python3 212: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 41# 0x000000000012F92A in /usr/bin/python3 212: 42# 0x0000000000226ECB in /usr/bin/python3 212: 43# _PyObject_MakeTpCall in /usr/bin/python3 212: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 45# 0x000000000012F92A in /usr/bin/python3 212: 46# 0x000000000018FD4C in /usr/bin/python3 212: 47# _PyObject_MakeTpCall in /usr/bin/python3 212: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 212: 49# PyEval_EvalCode in /usr/bin/python3 212: 50# 0x00000000002BCB1F in /usr/bin/python3 212: 51# 0x00000000002B8C80 in /usr/bin/python3 212: 52# 0x00000000002B874E in /usr/bin/python3 212: 53# 0x00000000002B80C2 in /usr/bin/python3 212: 54# Py_RunMain in /usr/bin/python3 212: 55# Py_BytesMain in /usr/bin/python3 212: 56# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 57# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 212: 58# _start in /usr/bin/python3 212: ---------- 212: **** 212: 212: . 212: ---------------------------------------------------------------------- 212: Ran 9 tests in 0.329s 212: 212: OK 212: Testing Trajectory wrapper 207/256 Test #197: pySubstructLibrary ..................... Passed 7.22 sec test 213 Start 213: pyTestSGroups 213: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/testSGroups.py" 213: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 213: Test timeout computed to be: 7200 208/256 Test #212: pyTestTrajectory ....................... Passed 0.46 sec test 214 Start 214: pyTestSCSR 214: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/testSCSR.py" 214: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 214: Test timeout computed to be: 7200 151: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12 213: ............. 213: ---------------------------------------------------------------------- 213: Ran 13 tests in 0.010s 213: 213: OK 213: Testing SubstanceGroups wrapper 209/256 Test #213: pyTestSGroups .......................... Passed 0.19 sec test 215 Start 215: pySubstructureMatch 215: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/testSubstructureMatch.py" 215: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 215: Test timeout computed to be: 7200 214: ... 214: ---------------------------------------------------------------------- 214: Ran 3 tests in 0.024s 214: 214: OK 210/256 Test #214: pyTestSCSR ............................. Passed 0.25 sec test 216 Start 216: pyTestThreads 216: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/testThreads.py" 216: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 216: Test timeout computed to be: 7200 215: ... 215: ---------------------------------------------------------------------- 215: Ran 3 tests in 0.014s 215: 215: OK 211/256 Test #215: pySubstructureMatch .................... Passed 0.14 sec test 217 Start 217: pyTestMultithreadedMolSupplier 217: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py" 217: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 217: Test timeout computed to be: 7200 151: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-] 209: ......................[07:04:09] Explicit valence for atom # 1 F, 2, is greater than permitted 209: [07:04:09] Explicit valence for atom # 6 F, 2, is greater than permitted 209: [07:04:09] Can't kekulize mol. Unkekulized atoms: 3 4 5 209: [07:04:09] Can't kekulize mol. Unkekulized atoms: 3 4 5 209: ..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| 209: CC/C=C/C(/C=C/CC)=C(CC)CO 209: CC/C=C\C(/C=C/CC)=C(CC)CO 209: CC/C=C\C(/C=C/CC)=C(CC)CO 209: CC/C=C\C(/C=C\CC)=C(CC)CO 209: CC/C=C\C(/C=C/CC)=C(CC)CO 209: 2 STEREOZ 209: 5 STEREOE 209: 8 STEREOANY 209: CC/C=C\C(/C=C\CC)=C(CC)CO 209: 2 STEREOZ 209: 5 STEREOZ 209: CC/C=C/C(/C=C/CC)=C(CC)CO 209: 2 STEREOE 209: 5 STEREOE 217: .s... 217: ---------------------------------------------------------------------- 217: Ran 5 tests in 0.059s 217: 217: OK (skipped=1) 212/256 Test #217: pyTestMultithreadedMolSupplier ......... Passed 0.23 sec test 218 Start 218: pyTestPropertyLists 218: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/testPropertyLists.py" 218: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 218: Test timeout computed to be: 7200 218: ..... 218: ---------------------------------------------------------------------- 218: Ran 5 tests in 0.006s 218: 218: OK 213/256 Test #218: pyTestPropertyLists .................... Passed 0.13 sec test 219 Start 219: pyCDXMLTest 219: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/test_cdxml.py" 219: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 219: Test timeout computed to be: 7200 214/256 Test #216: pyTestThreads .......................... Passed 0.51 sec test 220 Start 220: pySubsetTest 220: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/test_subset.py" 220: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 220: Test timeout computed to be: 7200 219: .. 219: ---------------------------------------------------------------------- 219: Ran 2 tests in 0.000s 219: 219: OK 215/256 Test #219: pyCDXMLTest ............................ Passed 0.16 sec test 221 Start 221: pyTestLazyNumpy 221: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Wrap/test_lazy_numpy.py" 221: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Wrap 221: Test timeout computed to be: 7200 151: C1=NC[C@]2(CN3CC[C@@H]2C3)O1 216/256 Test #220: pySubsetTest ........................... Passed 0.23 sec test 222 Start 222: molStandardizeTest 222: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeTest 222: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize 222: Test timeout computed to be: 7200 151: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2 151: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 209: ..................[07:04:11] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 151: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21 217/256 Test #222: molStandardizeTest ..................... Passed 0.80 sec test 223 Start 223: molNormalizeTest 223: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molNormalizeTest 223: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize 223: Test timeout computed to be: 7200 223: [07:04:11] Can't kekulize mol. Unkekulized atoms: 3 7 8 9 223: [07:04:11] Can't kekulize mol. Unkekulized atoms: 3 7 8 9 223: [07:04:11] Initializing Normalizer 223: [07:04:11] Running Normalizer 223: [07:04:11] Rule applied: BrokenazidetoN=N+=N- 223: [07:04:11] Initializing Normalizer 223: [07:04:11] Running Normalizer 223: [07:04:11] Initializing Normalizer 223: [07:04:11] Running Normalizer 218/256 Test #223: molNormalizeTest ....................... Passed 0.08 sec test 224 Start 224: molValidateTest 224: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molValidateTest 224: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize 224: Test timeout computed to be: 7200 224: ERROR: [FeaturesValidation] Query atom 0 is not allowed 224: ERROR: [FeaturesValidation] Dummy atom 0 is not allowed 224: ERROR: [FeaturesValidation] Query bond 0 is not allowed 224: ERROR: [FeaturesValidation] Bond 0 of aromatic type is not allowed 224: ERROR: [FeaturesValidation] Bond 1 of aromatic type is not allowed 224: ERROR: [FeaturesValidation] Bond 2 of aromatic type is not allowed 224: ERROR: [FeaturesValidation] Bond 3 of aromatic type is not allowed 224: ERROR: [FeaturesValidation] Bond 5 of aromatic type is not allowed 224: ERROR: [FeaturesValidation] Bond 6 of aromatic type is not allowed 224: ERROR: [FeaturesValidation] Bond 2 of dative type is not allowed 224: ERROR: [FeaturesValidation] Bond 3 of dative type is not allowed 224: ERROR: [FeaturesValidation] Atom 2 with alias 'CF3' is not allowed 224: ERROR: [FeaturesValidation] Enhanced stereochemistry features are not allowed 224: ERROR: [StereoValidation] Atom 3 has both unknown and wedged/dashed stereo bonds. 224: here 224: ERROR: [StereoValidation] Bond 3 has assigned stereo type, but unexpected bond order. 224: there 224: ERROR: [StereoValidation] Atom 0 has stereo bonds, but less than 3 explicit substituents. 219/256 Test #224: molValidateTest ........................ Passed 0.06 sec test 225 Start 225: molChargeTest 225: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molChargeTest 225: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize 225: Test timeout computed to be: 7200 220/256 Test #225: molChargeTest .......................... Passed 0.10 sec test 226 Start 226: molTautomerTest 226: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molTautomerTest 226: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize 226: Test timeout computed to be: 7200 226: [07:04:11] Tautomer enumeration stopped at 295 tautomers: max transforms reached 151: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O 226: [07:04:12] Tautomer enumeration stopped at 295 tautomers: max transforms reached 226: [07:04:12] Tautomer enumeration stopped at 50 tautomers: max tautomers reached 151: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 151: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 221: ....... 221: ---------------------------------------------------------------------- 221: Ran 7 tests in 1.784s 221: 221: OK 221/256 Test #221: pyTestLazyNumpy ........................ Passed 1.93 sec test 227 Start 227: molStandardizeSmallTest 227: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest 227: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize 227: Test timeout computed to be: 7200 151: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 226: [07:04:12] Tautomer enumeration stopped at 93 tautomers: canceled 226: Enumeration was canceled due to timeout (50 ms) 222/256 Test #227: molStandardizeSmallTest ................ Passed 0.06 sec test 228 Start 228: molFragmentTest 228: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest 228: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize 228: Test timeout computed to be: 7200 151: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 228: [07:04:12] SMARTS Parse Error: syntax error while parsing: [Cl 228: [07:04:12] SMARTS Parse Error: check for mistakes around position 3: 228: [07:04:12] [Cl 228: [07:04:12] ~~^ 228: [07:04:12] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl' 223/256 Test #228: molFragmentTest ........................ Passed 0.07 sec test 229 Start 229: molStandardizeCatchTest 229: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest 229: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize 229: Test timeout computed to be: 7200 226: 375 226: Enumeration has completed 226: [07:04:12] Tautomer enumeration stopped at 143 tautomers: canceled 229: Randomness seeded to: 1824168575 229: * - * - * - * m1 229: * - * - * - * m2 229: * - * - * - * m1 229: * - * - * - * m2 229: [07:04:12] Can't kekulize mol. Unkekulized atoms: 3 7 229: [07:04:12] Can't kekulize mol. Unkekulized atoms: 3 8 229: [07:04:12] Can't kekulize mol. Unkekulized atoms: 2 3 4 226: CN=c1cc[nH]cn1 226: CN=c1ccnc[nH]1 226: CNc1ccncn1 226: res: CNc1ccncn1 226: CN=c1cccc[nH]1 226: CNc1ccccn1 226: res: CNc1ccccn1 224/256 Test #226: molTautomerTest ........................ Passed 1.58 sec test 230 Start 230: molStandardizePipelineTest 230: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizePipelineTest 230: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize 230: Test timeout computed to be: 7200 230: Randomness seeded to: 1876503712 230: 1 Counts line too short: '' on line4 230: 1 Could not instantiate a valid molecule from input 230: 8 Molecule has no atoms 230: [07:04:13] Explicit valence for atom # 1 N, 4, is greater than permitted 230: [07:04:13] Explicit valence for atom # 1 N, 4, is greater than permitted 230: 8 Explicit valence for atom # 1 N, 4, is greater than permitted 230: 128 An error occurred while preparing the molecule for standardization. 230: 8 The molecule contains an unknown isotope: 3C 230: 4 Query atom 0 is not allowed 230: 4 Bond 0 of aromatic type is not allowed 230: 4 Bond 1 of aromatic type is not allowed 230: 4 Bond 2 of aromatic type is not allowed 230: 4 Bond 3 of aromatic type is not allowed 230: 4 Bond 5 of aromatic type is not allowed 230: 4 Bond 6 of aromatic type is not allowed 230: 4 Bond 2 of dative type is not allowed 230: 4 Bond 3 of dative type is not allowed 230: 4 Enhanced stereochemistry features are not allowed 230: 8 The radical at atom 0 is not allowed 230: [07:04:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 230: 16 The molecule includes non-null Z coordinates 230: 32 Atom 0 too close to bond 2 230: 32 The length of bond 3 between atoms 0 and 3 exceeds a configured limit 230: 64 Atom 0 has 3 explicit substituents and multiple stereo bonds 230: 64 Atom 0 has adjacent stereo bonds with like orientation 230: [07:04:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 230: 16 The molecule includes non-null Z coordinates 230: 64 Atom 0 has adjacent stereo bonds with like orientation 230: 32 The length of bond 16 between atoms 16 and 1 exceeds a configured limit 230: 8388608 One or more metal atoms were disconnected. 230: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 230: 67108864 The protonation state was adjusted. 230: 16777216 The representation of some functional groups was adjusted. 230: 67108864 The protonation state was adjusted. 230: 16777216 The representation of some functional groups was adjusted. 230: 67108864 The protonation state was adjusted. 230: 16777216 The representation of some functional groups was adjusted. 230: 16777216 The representation of some functional groups was adjusted. 230: 67108864 The protonation state was adjusted. 230: 16777216 The representation of some functional groups was adjusted. 230: 67108864 The protonation state was adjusted. 230: 16777216 The representation of some functional groups was adjusted. 230: 67108864 The protonation state was adjusted. 230: 16777216 The representation of some functional groups was adjusted. 230: 67108864 The protonation state was adjusted. 230: 8388608 One or more metal atoms were disconnected. 230: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 230: 67108864 The protonation state was adjusted. 230: 8388608 One or more metal atoms were disconnected. 230: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 230: 67108864 The protonation state was adjusted. 230: 8388608 One or more metal atoms were disconnected. 230: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 230: 67108864 The protonation state was adjusted. 230: 8388608 One or more metal atoms were disconnected. 230: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 230: 67108864 The protonation state was adjusted. 230: 8388608 One or more metal atoms were disconnected. 230: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 230: 67108864 The protonation state was adjusted. 230: 16777216 The "wavy" style of bond 4 was removed 230: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration 230: 16777216 The "wavy" style of bond 2 was removed 230: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 230: 16777216 The "wavy" style of bond 1 was removed 230: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 230: 16777216 The "wavy" style of bond 1 was removed 230: 16777216 The "wavy" style of bond 4 was removed 230: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 230: 16777216 The "wavy" style of bond 3 was removed 230: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration 230: 16777216 The "wavy" style of bond 2 was removed 230: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 230: 16777216 The "wavy" style of bond 1 was removed 230: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 230: 16777216 The "wavy" style of bond 1 was removed 230: 16777216 The "wavy" style of bond 4 was removed 230: 16777216 The "wavy" style of bond 3 was removed 230: 16777216 The representation of some functional groups was adjusted. 230: [07:04:13] Can't kekulize mol. Unkekulized atoms: 2 3 5 230: [07:04:13] Can't kekulize mol. Unkekulized atoms: 2 3 5 230: =============================================================================== 230: All tests passed (318 assertions in 5 test cases) 230: 225/256 Test #230: molStandardizePipelineTest ............. Passed 0.12 sec test 231 Start 231: pyMolStandardize 231: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py" 231: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap 231: Test timeout computed to be: 7200 151: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O 231: ......[07:04:14] Tautomer enumeration stopped at 295 tautomers: max transforms reached 231: [07:04:14] Tautomer enumeration stopped at 50 tautomers: max tautomers reached 231: .[07:04:14] Tautomer enumeration stopped at 79 tautomers: canceled 231: Enumeration was canceled due to timeout (50 ms) 151: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21 151: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2 231: Enumeration has completed 151: CN1CC[C@H]2COc3c(O)cccc3[C@H]21 231: [07:04:15] Tautomer enumeration stopped at 83 tautomers: canceled 151: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 231: ..........[07:04:15] Explicit valence for atom # 1 N, 4, is greater than permitted 231: [07:04:15] Explicit valence for atom # 1 N, 4, is greater than permitted 231: [07:04:15] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 231: [07:04:15] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 209: ..[07:04:15] 209: 209: **** 209: Pre-condition Violation 209: no owner 209: Violation occurred on line 157 in file ./Code/GraphMol/Atom.h 209: Failed Expression: dp_mol 209: ---------- 209: Stacktrace: 209: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 3# boost::python::objects::caller_py_function_impl, boost::mpl::vector2 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 16# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 17# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 18# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 19# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 20# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 25# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 26# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 27# _PyObject_MakeTpCall in /usr/bin/python3 209: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 29# 0x0000000000186F24 in /usr/bin/python3 209: 30# 0x00000000001E4E20 in /usr/bin/python3 209: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 32# 0x000000000012F92A in /usr/bin/python3 209: 33# 0x0000000000226ECB in /usr/bin/python3 209: 34# _PyObject_MakeTpCall in /usr/bin/python3 209: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 36# 0x0000000000186F24 in /usr/bin/python3 209: 37# 0x00000000001E4E20 in /usr/bin/python3 209: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 39# 0x000000000012F92A in /usr/bin/python3 209: 40# 0x0000000000226ECB in /usr/bin/python3 209: 41# _PyObject_MakeTpCall in /usr/bin/python3 209: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 43# 0x0000000000186F24 in /usr/bin/python3 209: 44# 0x00000000001E4E20 in /usr/bin/python3 209: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 46# 0x000000000012F92A in /usr/bin/python3 209: 47# 0x0000000000226ECB in /usr/bin/python3 209: 48# _PyObject_MakeTpCall in /usr/bin/python3 209: 49# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 50# 0x000000000012F92A in /usr/bin/python3 209: 51# 0x000000000018FD4C in /usr/bin/python3 209: 52# _PyObject_MakeTpCall in /usr/bin/python3 209: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 54# PyEval_EvalCode in /usr/bin/python3 209: 55# 0x00000000002BCB1F in /usr/bin/python3 209: 56# 0x00000000002B8C80 in /usr/bin/python3 209: 57# 0x00000000002B874E in /usr/bin/python3 209: 58# 0x00000000002B80C2 in /usr/bin/python3 209: 59# Py_RunMain in /usr/bin/python3 209: 60# Py_BytesMain in /usr/bin/python3 209: 61# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 62# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 63# _start in /usr/bin/python3 209: ---------- 209: **** 209: 209: [07:04:15] 209: 209: **** 209: Pre-condition Violation 209: no owner 209: Violation occurred on line 157 in file ./Code/GraphMol/Atom.h 209: Failed Expression: dp_mol 209: ---------- 209: Stacktrace: 209: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 3# RDKit::AtomGetNeighbors(RDKit::Atom*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 17# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 18# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 19# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 20# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 21# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 27# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 28# _PyObject_MakeTpCall in /usr/bin/python3 209: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 30# 0x0000000000186F24 in /usr/bin/python3 209: 31# 0x00000000001E4E20 in /usr/bin/python3 209: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 33# 0x000000000012F92A in /usr/bin/python3 209: 34# 0x0000000000226ECB in /usr/bin/python3 209: 35# _PyObject_MakeTpCall in /usr/bin/python3 209: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 37# 0x0000000000186F24 in /usr/bin/python3 209: 38# 0x00000000001E4E20 in /usr/bin/python3 209: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 40# 0x000000000012F92A in /usr/bin/python3 209: 41# 0x0000000000226ECB in /usr/bin/python3 209: 42# _PyObject_MakeTpCall in /usr/bin/python3 209: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 44# 0x0000000000186F24 in /usr/bin/python3 209: 45# 0x00000000001E4E20 in /usr/bin/python3 209: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 47# 0x000000000012F92A in /usr/bin/python3 209: 48# 0x0000000000226ECB in /usr/bin/python3 209: 49# _PyObject_MakeTpCall in /usr/bin/python3 209: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 51# 0x000000000012F92A in /usr/bin/python3 209: 52# 0x000000000018FD4C in /usr/bin/python3 209: 53# _PyObject_MakeTpCall in /usr/bin/python3 209: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 55# PyEval_EvalCode in /usr/bin/python3 209: 56# 0x00000000002BCB1F in /usr/bin/python3 209: 57# 0x00000000002B8C80 in /usr/bin/python3 209: 58# 0x00000000002B874E in /usr/bin/python3 209: 59# 0x00000000002B80C2 in /usr/bin/python3 209: 60# Py_RunMain in /usr/bin/python3 209: 61# Py_BytesMain in /usr/bin/python3 209: 62# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 63# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 64# _start in /usr/bin/python3 209: ---------- 209: **** 209: 209: [07:04:15] 209: 209: **** 209: Pre-condition Violation 209: no owner 209: Violation occurred on line 157 in file ./Code/GraphMol/Atom.h 209: Failed Expression: dp_mol 209: ---------- 209: Stacktrace: 209: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 3# RDKit::AtomGetBonds(RDKit::Atom*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 17# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 18# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 19# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 20# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 21# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 27# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 28# _PyObject_MakeTpCall in /usr/bin/python3 209: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 30# 0x0000000000186F24 in /usr/bin/python3 209: 31# 0x00000000001E4E20 in /usr/bin/python3 209: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 33# 0x000000000012F92A in /usr/bin/python3 209: 34# 0x0000000000226ECB in /usr/bin/python3 209: 35# _PyObject_MakeTpCall in /usr/bin/python3 209: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 37# 0x0000000000186F24 in /usr/bin/python3 209: 38# 0x00000000001E4E20 in /usr/bin/python3 209: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 40# 0x000000000012F92A in /usr/bin/python3 209: 41# 0x0000000000226ECB in /usr/bin/python3 209: 42# _PyObject_MakeTpCall in /usr/bin/python3 209: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 44# 0x0000000000186F24 in /usr/bin/python3 209: 45# 0x00000000001E4E20 in /usr/bin/python3 209: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 47# 0x000000000012F92A in /usr/bin/python3 209: 48# 0x0000000000226ECB in /usr/bin/python3 209: 49# _PyObject_MakeTpCall in /usr/bin/python3 209: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 51# 0x000000000012F92A in /usr/bin/python3 209: 52# 0x000000000018FD4C in /usr/bin/python3 209: 53# _PyObject_MakeTpCall in /usr/bin/python3 209: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 55# PyEval_EvalCode in /usr/bin/python3 209: 56# 0x00000000002BCB1F in /usr/bin/python3 209: 57# 0x00000000002B8C80 in /usr/bin/python3 209: 58# 0x00000000002B874E in /usr/bin/python3 209: 59# 0x00000000002B80C2 in /usr/bin/python3 209: 60# Py_RunMain in /usr/bin/python3 209: 61# Py_BytesMain in /usr/bin/python3 209: 62# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 63# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 64# _start in /usr/bin/python3 209: ---------- 209: **** 209: 209: [07:04:15] 209: 209: **** 209: Pre-condition Violation 209: no owner 209: Violation occurred on line 157 in file ./Code/GraphMol/Atom.h 209: Failed Expression: dp_mol 209: ---------- 209: Stacktrace: 209: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 3# RDKit::AtomIsInRing(RDKit::Atom const*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 17# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 18# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 19# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 20# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 21# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 27# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 28# _PyObject_MakeTpCall in /usr/bin/python3 209: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 30# 0x0000000000186F24 in /usr/bin/python3 209: 31# 0x00000000001E4E20 in /usr/bin/python3 209: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 33# 0x000000000012F92A in /usr/bin/python3 209: 34# 0x0000000000226ECB in /usr/bin/python3 209: 35# _PyObject_MakeTpCall in /usr/bin/python3 209: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 37# 0x0000000000186F24 in /usr/bin/python3 209: 38# 0x00000000001E4E20 in /usr/bin/python3 209: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 40# 0x000000000012F92A in /usr/bin/python3 209: 41# 0x0000000000226ECB in /usr/bin/python3 209: 42# _PyObject_MakeTpCall in /usr/bin/python3 209: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 44# 0x0000000000186F24 in /usr/bin/python3 209: 45# 0x00000000001E4E20 in /usr/bin/python3 209: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 47# 0x000000000012F92A in /usr/bin/python3 209: 48# 0x0000000000226ECB in /usr/bin/python3 209: 49# _PyObject_MakeTpCall in /usr/bin/python3 209: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 51# 0x000000000012F92A in /usr/bin/python3 209: 52# 0x000000000018FD4C in /usr/bin/python3 209: 53# _PyObject_MakeTpCall in /usr/bin/python3 209: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 55# PyEval_EvalCode in /usr/bin/python3 209: 56# 0x00000000002BCB1F in /usr/bin/python3 209: 57# 0x00000000002B8C80 in /usr/bin/python3 209: 58# 0x00000000002B874E in /usr/bin/python3 209: 59# 0x00000000002B80C2 in /usr/bin/python3 209: 60# Py_RunMain in /usr/bin/python3 209: 61# Py_BytesMain in /usr/bin/python3 209: 62# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 63# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 64# _start in /usr/bin/python3 209: ---------- 209: **** 209: 209: [07:04:15] 209: 209: **** 209: Pre-condition Violation 209: no owner 209: Violation occurred on line 157 in file ./Code/GraphMol/Atom.h 209: Failed Expression: dp_mol 209: ---------- 209: Stacktrace: 209: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 3# RDKit::AtomIsInRingSize(RDKit::Atom const*, int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 17# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 18# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 19# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 20# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 21# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 27# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 28# _PyObject_MakeTpCall in /usr/bin/python3 209: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 30# 0x0000000000186F24 in /usr/bin/python3 209: 31# 0x00000000001E4E20 in /usr/bin/python3 209: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 33# 0x000000000012F92A in /usr/bin/python3 209: 34# 0x0000000000226ECB in /usr/bin/python3 209: 35# _PyObject_MakeTpCall in /usr/bin/python3 209: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 37# 0x0000000000186F24 in /usr/bin/python3 209: 38# 0x00000000001E4E20 in /usr/bin/python3 209: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 40# 0x000000000012F92A in /usr/bin/python3 209: 41# 0x0000000000226ECB in /usr/bin/python3 209: 42# _PyObject_MakeTpCall in /usr/bin/python3 209: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 44# 0x0000000000186F24 in /usr/bin/python3 209: 45# 0x00000000001E4E20 in /usr/bin/python3 209: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 47# 0x000000000012F92A in /usr/bin/python3 209: 48# 0x0000000000226ECB in /usr/bin/python3 209: 49# _PyObject_MakeTpCall in /usr/bin/python3 209: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 51# 0x000000000012F92A in /usr/bin/python3 209: 52# 0x000000000018FD4C in /usr/bin/python3 209: 53# _PyObject_MakeTpCall in /usr/bin/python3 209: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 55# PyEval_EvalCode in /usr/bin/python3 209: 56# 0x00000000002BCB1F in /usr/bin/python3 209: 57# 0x00000000002B8C80 in /usr/bin/python3 209: 58# 0x00000000002B874E in /usr/bin/python3 209: 59# 0x00000000002B80C2 in /usr/bin/python3 209: 60# Py_RunMain in /usr/bin/python3 209: 61# Py_BytesMain in /usr/bin/python3 209: 62# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 63# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 64# _start in /usr/bin/python3 209: ---------- 209: **** 209: 209: .....[07:04:15] 209: 209: **** 209: Range Error 209: idx 209: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 209: Failed Expression: 0 < 0 209: ---------- 209: Stacktrace: 209: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 209: 3# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 209: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 17# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 18# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 19# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 20# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 21# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 26# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 27# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 28# _PyObject_MakeTpCall in /usr/bin/python3 209: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 30# 0x0000000000186F24 in /usr/bin/python3 209: 31# 0x00000000001E4E20 in /usr/bin/python3 209: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 33# 0x000000000012F92A in /usr/bin/python3 209: 34# 0x0000000000226ECB in /usr/bin/python3 209: 35# _PyObject_MakeTpCall in /usr/bin/python3 209: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 37# 0x0000000000186F24 in /usr/bin/python3 209: 38# 0x00000000001E4E20 in /usr/bin/python3 209: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 40# 0x000000000012F92A in /usr/bin/python3 209: 41# 0x0000000000226ECB in /usr/bin/python3 209: 42# _PyObject_MakeTpCall in /usr/bin/python3 209: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 44# 0x0000000000186F24 in /usr/bin/python3 209: 45# 0x00000000001E4E20 in /usr/bin/python3 209: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 47# 0x000000000012F92A in /usr/bin/python3 209: 48# 0x0000000000226ECB in /usr/bin/python3 209: 49# _PyObject_MakeTpCall in /usr/bin/python3 209: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 51# 0x000000000012F92A in /usr/bin/python3 209: 52# 0x000000000018FD4C in /usr/bin/python3 209: 53# _PyObject_MakeTpCall in /usr/bin/python3 209: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 55# PyEval_EvalCode in /usr/bin/python3 209: 56# 0x00000000002BCB1F in /usr/bin/python3 209: 57# 0x00000000002B8C80 in /usr/bin/python3 209: 58# 0x00000000002B874E in /usr/bin/python3 209: 59# 0x00000000002B80C2 in /usr/bin/python3 209: 60# Py_RunMain in /usr/bin/python3 209: 61# Py_BytesMain in /usr/bin/python3 209: 62# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 63# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 64# _start in /usr/bin/python3 209: ---------- 209: **** 209: 209: ......[07:04:15] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 209: [07:04:15] ERROR: Smiles parse error on line 0 209: [07:04:15] ERROR: Cannot create molecule from : 'c1ccccc' 209: [07:04:15] SMILES Parse Error: extra open parentheses while parsing: C(C 209: [07:04:15] SMILES Parse Error: check for mistakes around position 2: 209: [07:04:15] C(C 209: [07:04:15] ~^ 209: [07:04:15] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C' 209: [07:04:15] ERROR: Smiles parse error on line 3 209: [07:04:15] ERROR: Cannot create molecule from : 'C(C' 209: [07:04:15] Explicit valence for atom # 1 C, 5, is greater than permitted 209: [07:04:15] ERROR: Could not sanitize molecule on line 6 209: [07:04:15] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted 209: [07:04:15] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 209: [07:04:15] ERROR: Smiles parse error on line 0 209: [07:04:15] ERROR: Cannot create molecule from : 'c1ccccc' 209: [07:04:15] SMILES Parse Error: extra open parentheses while parsing: C(C 209: [07:04:15] SMILES Parse Error: check for mistakes around position 2: 209: [07:04:15] C(C 209: [07:04:15] ~^ 209: [07:04:15] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C' 209: [07:04:15] ERROR: Smiles parse error on line 3 209: [07:04:15] ERROR: Cannot create molecule from : 'C(C' 209: [07:04:15] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC' 209: [07:04:15] ERROR: Smiles parse error on line 6 209: [07:04:15] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC' 209: [07:04:15] Explicit valence for atom # 1 F, 2, is greater than permitted 209: [07:04:15] ERROR: Could not sanitize molecule ending on line 21 209: [07:04:15] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 209: [07:04:15] ERROR: EOF hit while reading atoms 209: [07:04:15] ERROR: moving to the beginning of the next molecule 209: [07:04:15] Explicit valence for atom # 1 F, 2, is greater than permitted 209: [07:04:15] ERROR: Could not sanitize molecule ending on line 21 209: [07:04:15] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 209: [07:04:15] ERROR: EOF hit while reading atoms 209: [07:04:15] ERROR: moving to the beginning of the next molecule 209: ....[07:04:15] 209: 209: **** 209: Pre-condition Violation 209: RingInfo not initialized 209: Violation occurred on line 170 in file ./Code/GraphMol/RingInfo.cpp 209: Failed Expression: df_init 209: ---------- 209: Stacktrace: 209: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 2# RDKit::RingInfo::numRings() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 209: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 16# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 17# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 18# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 19# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 20# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 25# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 26# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 27# _PyObject_MakeTpCall in /usr/bin/python3 209: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 29# 0x0000000000186F24 in /usr/bin/python3 209: 30# 0x00000000001E4E20 in /usr/bin/python3 209: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 32# 0x000000000012F92A in /usr/bin/python3 209: 33# 0x0000000000226ECB in /usr/bin/python3 209: 34# _PyObject_MakeTpCall in /usr/bin/python3 209: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 36# 0x0000000000186F24 in /usr/bin/python3 209: 37# 0x00000000001E4E20 in /usr/bin/python3 209: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 39# 0x000000000012F92A in /usr/bin/python3 209: 40# 0x0000000000226ECB in /usr/bin/python3 209: 41# _PyObject_MakeTpCall in /usr/bin/python3 209: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 43# 0x0000000000186F24 in /usr/bin/python3 209: 44# 0x00000000001E4E20 in /usr/bin/python3 209: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 46# 0x000000000012F92A in /usr/bin/python3 209: 47# 0x0000000000226ECB in /usr/bin/python3 209: 48# _PyObject_MakeTpCall in /usr/bin/python3 209: 49# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 50# 0x000000000012F92A in /usr/bin/python3 209: 51# 0x000000000018FD4C in /usr/bin/python3 209: 52# _PyObject_MakeTpCall in /usr/bin/python3 209: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 54# PyEval_EvalCode in /usr/bin/python3 209: 55# 0x00000000002BCB1F in /usr/bin/python3 209: 56# 0x00000000002B8C80 in /usr/bin/python3 209: 57# 0x00000000002B874E in /usr/bin/python3 209: 58# 0x00000000002B80C2 in /usr/bin/python3 209: 59# Py_RunMain in /usr/bin/python3 209: 60# Py_BytesMain in /usr/bin/python3 209: 61# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 62# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 63# _start in /usr/bin/python3 209: ---------- 209: **** 209: 209: .................[07:04:15] 209: 209: **** 209: Range Error 209: idx 209: Violation occurred on line 202 in file ./Code/GraphMol/ROMol.cpp 209: Failed Expression: 3 < 1 209: ---------- 209: Stacktrace: 209: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 209: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1 209: 3# boost::python::objects::caller_py_function_impl >, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 4# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 5# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 6# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 16# 0x00000000001D4660 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 17# 0x00000000001D4640 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 18# 0x00000000001D4620 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 19# 0x00000000001D4600 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 20# 0x00000000001D45E0 in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 209: 25# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 26# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 209: 27# _PyObject_MakeTpCall in /usr/bin/python3 209: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 29# 0x0000000000186F24 in /usr/bin/python3 209: 30# 0x00000000001E4E20 in /usr/bin/python3 209: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 32# 0x000000000012F92A in /usr/bin/python3 209: 33# 0x0000000000226ECB in /usr/bin/python3 209: 34# _PyObject_MakeTpCall in /usr/bin/python3 209: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 36# 0x0000000000186F24 in /usr/bin/python3 209: 37# 0x00000000001E4E20 in /usr/bin/python3 209: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 39# 0x000000000012F92A in /usr/bin/python3 209: 40# 0x0000000000226ECB in /usr/bin/python3 209: 41# _PyObject_MakeTpCall in /usr/bin/python3 209: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 43# 0x0000000000186F24 in /usr/bin/python3 209: 44# 0x00000000001E4E20 in /usr/bin/python3 209: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 46# 0x000000000012F92A in /usr/bin/python3 209: 47# 0x0000000000226ECB in /usr/bin/python3 209: 48# _PyObject_MakeTpCall in /usr/bin/python3 209: 49# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 50# 0x000000000012F92A in /usr/bin/python3 209: 51# 0x000000000018FD4C in /usr/bin/python3 209: 52# _PyObject_MakeTpCall in /usr/bin/python3 209: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 209: 54# PyEval_EvalCode in /usr/bin/python3 209: 55# 0x00000000002BCB1F in /usr/bin/python3 209: 56# 0x00000000002B8C80 in /usr/bin/python3 209: 57# 0x00000000002B874E in /usr/bin/python3 209: 58# 0x00000000002B80C2 in /usr/bin/python3 209: 59# Py_RunMain in /usr/bin/python3 209: 60# Py_BytesMain in /usr/bin/python3 209: 61# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 62# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 209: 63# _start in /usr/bin/python3 209: ---------- 209: **** 209: 209: ...[07:04:15] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 209: ........................./usr/lib/python3.14/tempfile.py:484: ResourceWarning: Implicitly cleaning up <_TemporaryFileWrapper file=<_io.BufferedRandom name='/tmp/tmp7woo85ku.mrv'>> 209: _warnings.warn(self.warn_message, ResourceWarning) 209: ...[07:04:15] SMILES Parse Error: unclosed ring for input: 'C1CC' 209: .......779 209: ..[07:04:15] WARNING: not removing hydrogen atom without neighbors 209: [07:04:15] WARNING: not removing hydrogen atom with dummy atom neighbors 209: [07:04:15] WARNING: not removing hydrogen atom with wedged bond 209: [07:04:15] WARNING: not removing hydrogen atom without neighbors 209: [07:04:15] WARNING: not removing hydrogen atom with dummy atom neighbors 209: ......[07:04:16] Explicit valence for atom # 1 F, 2, is greater than permitted 209: [07:04:16] Can't kekulize mol. Unkekulized atoms: 0 1 2 209: [07:04:16] Can't kekulize mol. Unkekulized atoms: 0 1 2 209: .[07:04:16] Explicit valence for atom # 1 F, 2, is greater than permitted 209: [07:04:16] Explicit valence for atom # 1 F, 2, is greater than permitted 209: [07:04:16] Explicit valence for atom # 1 F, 2, is greater than permitted 209: [07:04:16] Explicit valence for atom # 1 F, 2, is greater than permitted 209: [07:04:16] Can't kekulize mol. Unkekulized atoms: 0 1 2 209: [07:04:16] Can't kekulize mol. Unkekulized atoms: 0 1 2 209: [07:04:16] Can't kekulize mol. Unkekulized atoms: 0 1 2 209: [07:04:16] Can't kekulize mol. Unkekulized atoms: 0 1 2 209: [07:04:16] Can't kekulize mol. Unkekulized atoms: 0 1 2 209: [07:04:16] Can't kekulize mol. Unkekulized atoms: 0 1 2 209: ..........[07:04:16] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname 209: [07:04:16] SMARTS Parse Error: check for mistakes around position 4: 209: [07:04:16] CCC |$foo;;bar$| ourname 209: [07:04:16] ~~~^ 209: [07:04:16] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname' 209: .[07:04:16] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname 209: [07:04:16] SMILES Parse Error: check for mistakes around position 4: 209: [07:04:16] CCC |$foo;;bar$| ourname 209: [07:04:16] ~~~^ 209: [07:04:16] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname' 209: ..[07:04:16] SMILES Parse Error: syntax error while parsing: error 209: [07:04:16] SMILES Parse Error: check for mistakes around position 1: 209: [07:04:16] error 209: [07:04:16] ^ 209: [07:04:16] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error' 209: [07:04:16] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd' 209: [07:04:16] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error' 209: [07:04:16] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd' 209: ..........................[07:04:16] SMILES Parse Error: syntax error while parsing: garbage_0 209: [07:04:16] SMILES Parse Error: check for mistakes around position 1: 209: [07:04:16] garbage_0 209: [07:04:16] ^ 209: [07:04:16] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0' 209: [07:04:16] SMILES Parse Error: syntax error while parsing: garbage_2 209: [07:04:16] SMILES Parse Error: check for mistakes around position 1: 209: [07:04:16] garbage_2 209: [07:04:16] ^ 209: [07:04:16] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2' 209: [07:04:16] SMILES Parse Error: syntax error while parsing: garbage_4 209: [07:04:16] SMILES Parse Error: check for mistakes around position 1: 209: [07:04:16] garbage_4 209: [07:04:16] ^ 209: [07:04:16] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4' 209: ............ 209: ---------------------------------------------------------------------- 209: Ran 291 tests in 7.409s 209: 209: OK 209: supplier: 209: supplier: 209: supplier: 226/256 Test #209: pyGraphMolWrap ......................... Passed 8.25 sec test 232 Start 232: testScaffoldNetwork 232: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork 232: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork 232: Test timeout computed to be: 7200 231: ............[07:04:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 231: [07:04:16] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored. 231: [07:04:16] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored. 231: ........[07:04:16] Explicit valence for atom # 1 O, 3, is greater than permitted 231: ...[07:04:16] WARNING: Omitted undefined stereo 231: 231: [07:04:16] WARNING: Omitted undefined stereo 231: 231: . 231: ---------------------------------------------------------------------- 231: Ran 41 tests in 3.397s 231: 231: OK 231: done 227/256 Test #231: pyMolStandardize ....................... Passed 3.54 sec test 233 Start 233: pyScaffoldNetwork 233: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py" 233: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap 233: Test timeout computed to be: 7200 232: Randomness seeded to: 432810375 232: =============================================================================== 232: All tests passed (273 assertions in 19 test cases) 232: 228/256 Test #232: testScaffoldNetwork .................... Passed 0.63 sec test 234 Start 234: pyScaffoldNetworkPickling 234: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py" 234: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap 234: Test timeout computed to be: 7200 233: ....... 233: ---------------------------------------------------------------------- 233: Ran 7 tests in 0.021s 233: 233: OK 229/256 Test #233: pyScaffoldNetwork ...................... Passed 0.15 sec test 235 Start 235: testMolEnumerator 235: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator 235: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator 235: Test timeout computed to be: 7200 234: . 234: ---------------------------------------------------------------------- 234: Ran 1 test in 0.006s 234: 234: OK 235: Randomness seeded to: 3322626436 235: [07:04:16] can only enumerate SRUs with CONNECT=HT or CONNECT=HH 230/256 Test #234: pyScaffoldNetworkPickling .............. Passed 0.12 sec test 236 Start 236: pyMolEnumerator 236: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolEnumerator/Wrap/rough_test.py" 236: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap 236: Test timeout computed to be: 7200 235: =============================================================================== 235: All tests passed (321 assertions in 16 test cases) 235: 231/256 Test #235: testMolEnumerator ...................... Passed 0.05 sec test 237 Start 237: testAbbreviations 237: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations 237: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations 237: Test timeout computed to be: 7200 237: Randomness seeded to: 519075323 237: [07:04:16] SMARTS Parse Error: syntax error while parsing: *fail 237: [07:04:16] SMARTS Parse Error: check for mistakes around position 2: 237: [07:04:16] *fail 237: [07:04:16] ~^ 237: [07:04:16] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail' 237: [07:04:16] no suitable SubstanceGroups found 237: [07:04:16] SUP group without any bonds 237: [07:04:16] SUP group without any bonds 237: =============================================================================== 237: All tests passed (203 assertions in 13 test cases) 237: 232/256 Test #237: testAbbreviations ...................... Passed 0.02 sec test 238 Start 238: pyAbbreviations 238: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py" 238: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap 238: Test timeout computed to be: 7200 236: ... 236: ---------------------------------------------------------------------- 236: Ran 3 tests in 0.006s 236: 236: OK 233/256 Test #236: pyMolEnumerator ........................ Passed 0.12 sec test 239 Start 239: generalizedSubstructCatch 239: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch 239: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct 239: Test timeout computed to be: 7200 238: ....... 238: ---------------------------------------------------------------------- 238: Ran 7 tests in 0.010s 238: 238: OK 234/256 Test #238: pyAbbreviations ........................ Passed 0.13 sec test 240 Start 240: pyGeneralizedSubstruct 240: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py" 240: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap 240: Test timeout computed to be: 7200 239: Randomness seeded to: 2173842861 239: =============================================================================== 239: All tests passed (486 assertions in 10 test cases) 239: 235/256 Test #239: generalizedSubstructCatch .............. Passed 0.12 sec test 241 Start 241: testMolProcessing 241: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/testMolProcessing 241: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing 241: Test timeout computed to be: 7200 240: ....... 240: ---------------------------------------------------------------------- 240: Ran 7 tests in 0.093s 240: 240: OK 236/256 Test #240: pyGeneralizedSubstruct ................. Passed 0.23 sec 151: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1 test 242 Start 242: pyMolProcessing 242: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolProcessing/Wrap/testMolProcessing.py" 242: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap 242: Test timeout computed to be: 7200 242: .. 242: ---------------------------------------------------------------------- 242: Ran 2 tests in 0.247s 242: 242: OK 237/256 Test #242: pyMolProcessing ........................ Passed 0.51 sec test 243 Start 243: testMIF 243: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/testMIF 243: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields 243: Test timeout computed to be: 7200 151: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 243: Randomness seeded to: 151912952 243: =============================================================================== 243: All tests passed (27926 assertions in 8 test cases) 243: 238/256 Test #243: testMIF ................................ Passed 0.04 sec test 244 Start 244: pyMIF 244: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/GraphMol/MolInteractionFields/Wrap/testMIF.py" 244: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap 244: Test timeout computed to be: 7200 244: ....... 244: ---------------------------------------------------------------------- 244: Ran 7 tests in 0.086s 244: 244: OK 244: Testing MIF wrapper 239/256 Test #244: pyMIF .................................. Passed 0.40 sec test 245 Start 245: testQuery 245: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Query/testQuery 245: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Query 245: Test timeout computed to be: 7200 245: Randomness seeded to: 1644685207 245: =============================================================================== 245: All tests passed (111 assertions in 16 test cases) 245: 240/256 Test #245: testQuery .............................. Passed 0.01 sec test 246 Start 246: testBaseFeatures 246: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Features/testBaseFeatures 246: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Features 246: Test timeout computed to be: 7200 246: Randomness seeded to: 4273990768 246: =============================================================================== 246: All tests passed (61 assertions in 3 test cases) 246: 241/256 Test #246: testBaseFeatures ....................... Passed 0.02 sec test 247 Start 247: testMatCalc 247: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/testMatCalc 247: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc 247: Test timeout computed to be: 7200 247: 1.68022e+08 247: 1.73149e+08 247: 1.05549e+08 247: 7.20603e+07 247: 1.41535e+08 247: 1.08592e+08 247: 1.11334e+08 247: 2.05553e+08 247: 1.54962e+08 247: 8.08231e+07 247: 5.61421e+07 247: 1.28874e+08 247: 1.59011e+08 247: 8.69902e+07 247: 1.31367e+08 247: 2.27389e+08 247: 1.60289e+08 247: 7.79813e+07 247: 1.61001e+08 247: 2.07599e+08 247: 2.24432e+08 247: 1.39725e+08 247: 2.42614e+08 247: 1.77578e+08 247: 1.05908e+08 247: 9.06742e+07 247: 1.8087e+08 247: 1.98182e+08 247: 2.03052e+08 247: 1.7673e+08 247: 9.32798e+07 247: 1.37969e+08 247: 1.83778e+08 247: 2.1228e+08 247: 5.06157e+07 247: 1.566e+08 247: 2.37142e+08 247: 1.49345e+08 247: 7.05819e+07 247: 1.71633e+08 247: 1.96817e+08 247: 2.18246e+08 247: 9.49496e+07 247: 2.25618e+08 247: 1.30219e+08 242/256 Test #247: testMatCalc ............................ Passed 0.01 sec test 248 Start 248: pyMatCalc 248: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py" 248: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap 248: Test timeout computed to be: 7200 151: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O 248: ..... 248: ---------------------------------------------------------------------- 248: Ran 5 tests in 0.326s 248: 248: OK 243/256 Test #248: pyMatCalc .............................. Passed 0.66 sec test 249 Start 249: testSimDivPickers 249: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/SimDivPickers/testSimDivPickers 249: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/SimDivPickers 249: Test timeout computed to be: 7200 249: Randomness seeded to: 428161939 249: =============================================================================== 249: All tests passed (13 assertions in 2 test cases) 249: 244/256 Test #249: testSimDivPickers ...................... Passed 0.01 sec test 250 Start 250: pickersTestsCatch 250: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/SimDivPickers/pickersTestsCatch 250: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/SimDivPickers 250: Test timeout computed to be: 7200 241: Randomness seeded to: 3625768262 241: =============================================================================== 241: All tests passed (203 assertions in 1 test case) 241: 245/256 Test #241: testMolProcessing ...................... Passed 1.82 sec test 251 Start 251: pySimDivPickers 251: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/SimDivPickers/Wrap/testPickers.py" 251: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap 251: Test timeout computed to be: 7200 250: Randomness seeded to: 3970785261 250: =============================================================================== 250: All tests passed (21267 assertions in 1 test case) 250: 246/256 Test #250: pickersTestsCatch ...................... Passed 0.10 sec test 252 Start 252: pyRanker 252: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/ML/InfoTheory/Wrap/testRanker.py" 252: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap 252: Test timeout computed to be: 7200 251: [07:04:19] the useCache argument is deprecated and ignored 151: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O 251: ...[07:04:19] the useCache argument is deprecated and ignored 251: [07:04:19] the useCache argument is deprecated and ignored 252: ..[07:04:19] 252: 252: **** 252: Invariant Violation 252: Can't rank more bits than the ensemble size 252: Violation occurred on line 154 in file ./Code/ML/InfoTheory/InfoBitRanker.cpp 252: Failed Expression: num <= dp_maskBits->getNumOnBits() 252: ---------- 252: Stacktrace: 252: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 252: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1 252: 2# RDInfoTheory::InfoBitRanker::getTopN(unsigned int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu//lib/libRDKitInfoTheory.so.1 252: 3# RDInfoTheory::getTopNbits(RDInfoTheory::InfoBitRanker*, int) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so 252: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so 252: 5# boost::python::objects::function::call(_object*, _object*) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 252: 6# 0x000000000002485C in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 252: 7# boost::python::detail::exception_handler::operator()(boost::function_n const&) const in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 252: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 252: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 252: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 252: 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-202603.4/obj-x86_64-linux-gnu/rdkit/rdBase.so 252: 12# boost::python::handle_exception_impl(boost::function_n) in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 252: 13# 0x0000000000021B26 in /usr/lib/x86_64-linux-gnu/libboost_python314.so.1.90.0 252: 14# _PyObject_MakeTpCall in /usr/bin/python3 252: 15# _PyEval_EvalFrameDefault in /usr/bin/python3 252: 16# 0x0000000000186F24 in /usr/bin/python3 252: 17# 0x00000000001E4E20 in /usr/bin/python3 252: 18# _PyEval_EvalFrameDefault in /usr/bin/python3 252: 19# 0x000000000012F92A in /usr/bin/python3 252: 20# 0x0000000000226ECB in /usr/bin/python3 252: 21# _PyObject_MakeTpCall in /usr/bin/python3 252: 22# _PyEval_EvalFrameDefault in /usr/bin/python3 252: 23# 0x0000000000186F24 in /usr/bin/python3 252: 24# 0x00000000001E4E20 in /usr/bin/python3 252: 25# _PyEval_EvalFrameDefault in /usr/bin/python3 252: 26# 0x000000000012F92A in /usr/bin/python3 252: 27# 0x0000000000226ECB in /usr/bin/python3 252: 28# _PyObject_MakeTpCall in /usr/bin/python3 252: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 252: 30# 0x0000000000186F24 in /usr/bin/python3 252: 31# 0x00000000001E4E20 in /usr/bin/python3 252: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 252: 33# 0x000000000012F92A in /usr/bin/python3 252: 34# 0x0000000000226ECB in /usr/bin/python3 252: 35# _PyObject_MakeTpCall in /usr/bin/python3 252: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 252: 37# 0x000000000012F92A in /usr/bin/python3 252: 38# 0x000000000018FD4C in /usr/bin/python3 252: 39# _PyObject_MakeTpCall in /usr/bin/python3 252: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 252: 41# PyEval_EvalCode in /usr/bin/python3 252: 42# 0x00000000002BCB1F in /usr/bin/python3 252: 43# 0x00000000002B8C80 in /usr/bin/python3 252: 44# 0x00000000002B874E in /usr/bin/python3 252: 45# 0x00000000002B80C2 in /usr/bin/python3 252: 46# Py_RunMain in /usr/bin/python3 252: 47# Py_BytesMain in /usr/bin/python3 252: 48# 0x0000000000029F77 in /usr/lib/x86_64-linux-gnu/libc.so.6 252: 49# __libc_start_main in /usr/lib/x86_64-linux-gnu/libc.so.6 252: 50# _start in /usr/bin/python3 252: ---------- 252: **** 252: 252: ... 252: ---------------------------------------------------------------------- 252: Ran 5 tests in 0.021s 252: 252: OK 251: .[07:04:19] the useCache argument is deprecated and ignored 247/256 Test #252: pyRanker ............................... Passed 0.36 sec test 253 Start 253: testChemicalFeatures 253: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures/testChemicalFeatures 253: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures 253: Test timeout computed to be: 7200 253: Randomness seeded to: 1573640989 253: =============================================================================== 253: All tests passed (24 assertions in 1 test case) 253: 248/256 Test #253: testChemicalFeatures ................... Passed 0.01 sec test 254 Start 254: pyFeatures 254: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202603.4/Code/ChemicalFeatures/Wrap/testFeatures.py" 254: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap 254: Test timeout computed to be: 7200 254: .. 254: ---------------------------------------------------------------------- 254: Ran 2 tests in 0.001s 254: 254: OK 254: Testing ChemicalFeatures Wrapper code: 249/256 Test #254: pyFeatures ............................. Passed 0.24 sec test 255 Start 255: quickbench 255: Test command: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench/bench "--benchmark-samples" "1" "--benchmark-warmup-time" "0" 255: Working Directory: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/Code/Bench 255: Test timeout computed to be: 7200 251: ....... 251: ---------------------------------------------------------------------- 251: Ran 11 tests in 0.870s 251: 251: OK 250/256 Test #251: pySimDivPickers ........................ Passed 1.12 sec test 256 Start 256: pythonProjectTests 256: Test command: /usr/bin/python3 "-m" "pytest" 256: Working Directory: /build/reproducible-path/rdkit-202603.4/Projects 256: Test timeout computed to be: 7200 151: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 151: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5 256: ============================= test session starts ============================== 256: platform linux -- Python 3.14.6, pytest-9.1.1, pluggy-1.6.0 256: rootdir: /build/reproducible-path/rdkit-202603.4/Projects 256: configfile: pytest.ini 256: collected 12 items 256: 151: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 8 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 29 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 49 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 70 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 89 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 111 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 132 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 153 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 175 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 195 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 215 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 236 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 256 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 278 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 297 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 319 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 339 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 360 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 380 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 402 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 422 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 443 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 464 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 484 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 505 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 525 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 547 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 566 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 586 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 605 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 624 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 645 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 666 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 686 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 707 152: [07:04:22] UFFTYPER: Warning: hybridization set to SP3 for atom 729 255: Randomness seeded to: 1138955029 255: 255: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 255: bench is a Catch2 v3.7.1 host application. 255: Run with -? for options 255: 255: ------------------------------------------------------------------------------- 255: Descriptors::calcNumSpiroAtoms 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/descriptors.cpp:11 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: Descriptors::calcNumSpiroAtoms 1 9 29.979 us 255: 3.36378 us 3.36378 us 3.36378 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: Descriptors::calcNumBridgeheadAtoms 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/descriptors.cpp:22 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: Descriptors::calcNumBridgeheadAtoms 1 10 30.38 us 255: 3.3213 us 3.3213 us 3.3213 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: MorganFingerprints::getFingerprint 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/fingerprint.cpp:11 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: MorganFingerprints::getFingerprint 1 1 558.68 us 255: 528.78 us 528.78 us 528.78 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: bench_common::nth_random 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/meta.cpp:8 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: bench_common::nth_random 1 18406 18.406 us 255: 1.82381 ns 1.82381 ns 1.82381 ns 255: 0 ns 0 ns 0 ns 255: 255: 229: [07:04:22] Explicit valence for atom # 0 Br, 1, is greater than permitted 255: ------------------------------------------------------------------------------- 255: ROMol copy constructor 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/mol.cpp:11 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: ROMol copy constructor 1 1 138.332 us 255: 122.472 us 122.472 us 122.472 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: ROMol destructor 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/mol.cpp:25 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 229: =============================================================================== 229: All tests passed (38383 assertions in 52 test cases) 229: 255: ROMol destructor 1 1 47.325 us 255: 45.514 us 45.514 us 45.514 us 255: 0 ns 0 ns 0 ns 255: 255: 251/256 Test #229: molStandardizeCatchTest ................ Passed 10.02 sec 255: ------------------------------------------------------------------------------- 255: memory pressure test 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/mol.cpp:41 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: memory pressure test 1 1 30.601 us 255: 18.443 us 18.443 us 18.443 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: ROMol::getNumHeavyAtoms 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/mol.cpp:63 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: ROMol::getNumHeavyAtoms 1 106 28.196 us 255: 270.491 ns 270.491 ns 270.491 ns 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: MolOps::addHs 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/molops.cpp:11 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: MolOps::addHs 1 1 593.447 us 255: 391.383 us 391.383 us 391.383 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: MolOps::FindSSR 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/molops.cpp:24 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: MolOps::FindSSR 1 1 252.044 us 255: 246.303 us 246.303 us 246.303 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: MolOps::getMolFrags 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/molops.cpp:35 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: MolOps::getMolFrags 1 1 1.44736 ms 255: 1.31782 ms 1.31782 ms 1.31782 ms 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: MolPickler::pickleMol 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/pickle.cpp:12 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: MolPickler::pickleMol 1 1 230.177 us 255: 197.137 us 197.137 us 197.137 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: MolPickler::molFromPickle 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/pickle.cpp:23 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: MolPickler::molFromPickle 1 1 364.819 us 255: 211.264 us 211.264 us 211.264 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: SmilesToMol 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/smiles.cpp:12 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: SmilesToMol 1 1 2.34537 ms 255: 1.95441 ms 1.95441 ms 1.95441 ms 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: MolToSmiles 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/smiles.cpp:24 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: MolToSmiles 1 1 1.16035 ms 255: 1.52951 ms 1.52951 ms 1.52951 ms 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: MolToCXSmiles 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/smiles.cpp:36 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: MolToCXSmiles 1 1 1.6518 ms 255: 1.43573 ms 1.43573 ms 1.43573 ms 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: Chirality::findPotentialStereo 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/stereo.cpp:15 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: Chirality::findPotentialStereo 1 1 1.0915 ms 255: 1.13605 ms 1.13605 ms 1.13605 ms 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: CIPLabeler::assignCIPLabels 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/stereo.cpp:36 255: ............................................................................... 255: 152: =============================================================================== 152: All tests passed (25517 assertions in 29 test cases) 152: 252/256 Test #152: distGeomHelpersCatch ................... Passed 157.45 sec 151: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: CIPLabeler::assignCIPLabels 1 1 298.512 ms 255: 296.395 ms 296.395 ms 296.395 ms 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: MolOps::assignStereochemistry 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/stereo.cpp:45 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: MolOps::assignStereochemistry 255: legacy=true 1 1 354.578 us 255: 679.319 us 679.319 us 679.319 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: MolOps::assignStereochemistry 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/stereo.cpp:45 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: MolOps::assignStereochemistry 255: legacy=false 1 1 1.18098 ms 255: 1.39221 ms 1.39221 ms 1.39221 ms 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: ROMol::GetSubstructMatch 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/substruct_match.cpp:62 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: ROMol::GetSubstructMatch 1 1 138.44 us 255: 109.758 us 109.758 us 109.758 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: ROMol::GetSubstructMatch RLewis 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/substruct_match.cpp:77 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: ROMol::GetSubstructMatch RLewis 1 1 18.5997 ms 255: 18.0476 ms 18.0476 ms 18.0476 ms 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: ROMol::GetSubstructMatch patty 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/substruct_match.cpp:94 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: ROMol::GetSubstructMatch patty 1 1 3.0839 ms 255: 2.98515 ms 2.98515 ms 2.98515 ms 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: MolToInchi 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/inchi.cpp:12 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: MolToInchi 1 1 4.0682 ms 255: 3.90933 ms 3.90933 ms 3.90933 ms 255: 0 ns 0 ns 0 ns 255: 255: 151: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1 255: ------------------------------------------------------------------------------- 255: InchiToInchiKey 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/inchi.cpp:24 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: InchiToInchiKey 1 1 99.95 us 255: 38.655 us 38.655 us 38.655 us 255: 0 ns 0 ns 0 ns 255: 255: 255: ------------------------------------------------------------------------------- 255: InchiToMol 255: ------------------------------------------------------------------------------- 255: ./Code/Bench/inchi.cpp:40 255: ............................................................................... 255: 255: benchmark name samples iterations est run time 255: mean low mean high mean 255: std dev low std dev high std dev 255: ------------------------------------------------------------------------------- 255: InchiToMol 1 1 6.65773 ms 255: 6.81023 ms 6.81023 ms 6.81023 ms 255: 0 ns 0 ns 0 ns 255: 255: 255: =============================================================================== 255: All tests passed (859 assertions in 25 test cases) 255: 253/256 Test #255: quickbench ............................. Passed 3.93 sec 151: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1 151: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1 151: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 5: Randomness seeded to: 1417444622 5: =============================================================================== 5: All tests passed (120009 assertions in 2 test cases) 5: 254/256 Test #5: testConcurrentQueue .................... Passed 195.18 sec 151: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12 151: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-] 151: [07:04:33] Molecule does not have explicit Hs. Consider calling AddHs() 256: DbCLI/UnitTestDbCLI.py ............ [100%] 256: 256: =============================== warnings summary =============================== 256: ../obj-x86_64-linux-gnu/rdkit/Chem/MolDb/Loader_sa.py:18 256: /build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu/rdkit/Chem/MolDb/Loader_sa.py:18: 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) 256: decBase = declarative_base() 256: 256: -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html 256: ======================== 12 passed, 1 warning in 13.89s ======================== 255/256 Test #256: pythonProjectTests ..................... Passed 14.56 sec 151: [07:06:06] Molecule does not have explicit Hs. Consider calling AddHs() 151: [07:07:25] Molecule does not have explicit Hs. Consider calling AddHs() 151: [07:07:25] Molecule does not have explicit Hs. Consider calling AddHs() 151: =============================================================================== 151: All tests passed (136048 assertions in 46 test cases) 151: 256/256 Test #151: testDistGeomHelpers .................... Passed 340.51 sec 100% tests passed, 0 tests failed out of 256 Total Test time (real) = 375.79 sec make[2]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[1]: Leaving directory '/build/reproducible-path/rdkit-202603.4' 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-202603.4' dh_auto_install cd obj-x86_64-linux-gnu && make -j6 install DESTDIR=/build/reproducible-path/rdkit-202603.4/debian/tmp AM_UPDATE_INFO_DIR=no INSTALL="install --strip-program=true" make[2]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/rdkit-202603.4 -B/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 preinstall make[3]: Entering directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'preinstall'. make[3]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "None" -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfgen.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfutils.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfgeom.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pidPDF.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfdoc.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PDF/pdfmetrics.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples/formatted-strings.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/pid.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/ReportLab -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/ReportLab/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/ReportLab/pidReportLab.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pidPIL.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-8.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-10.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/removemedium.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-14.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/metrics.dat -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pbm -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pil -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/stringformat.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/tests -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/tests/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/tests/pstests.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/tests/pidtest.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/tests/testallps.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/latin1MetricsCache.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/psmetrics.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/pidPS.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/PS/fontinfo.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/TK -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/TK/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/TK/pidTK.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart/Fontmapping.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart/pidPyart.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Pyart/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/README -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/patches -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/__init__.py -- Installing: 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt/pidQt.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/Qt/pidQt4.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/SVG -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/SVG/pidSVG.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/SVG/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/pagesizes.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/sping/utils.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Geometry -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Geometry/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/StorageUtils.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbModule.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbResultSet.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbInfo.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbConnection.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Dbase/DbUtils.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fragments.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/AllChem.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/fmcs -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/fmcs/fmcs -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/fmcs/fmcs.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/fmcs/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Pharm2D -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Pharm2D/LazyGenerator.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Pharm2D/SigFactory.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Pharm2D/Generate.py -- Installing: 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/nbtests -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/nbtests/rdkit-structure-renderer.ipynb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/nbtests/github4823.ipynb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/nbtests/ChEMBL_quinolones.tsv -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps/FeatMaps.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps/FeatMapUtils.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps/FeatMapPoint.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FeatMaps/FeatMapParser.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/BRICS.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Descriptors3D.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolStandardize -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolStandardize/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/PandasPatcher.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FragmentCatalog.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Pharm3D -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Pharm3D/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Pharm3D/EmbedLib.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Pharm3D/ExcludedVolume.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Features -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Features/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Features/ShowFeats.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Features/FeatDirUtilsRD.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/GraphDescriptors.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/DSViewer.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ChemicalForceFields.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Recap.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fraggle -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fraggle/FraggleSim.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fraggle/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FunctionalGroups.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/SimpleEnum -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/SimpleEnum/Enumerator.py -- Installing: 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Randomize.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/AtomPairs -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/AtomPairs/Torsions.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/AtomPairs/Sheridan.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/AtomPairs/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/AtomPairs/Utils.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/AtomPairs/Pairs.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ChemUtils -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ChemUtils/DescriptorUtilities.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ChemUtils/TemplateExpand.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ChemUtils/SDFToCSV.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ChemUtils/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ChemUtils/BulkTester.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ChemUtils/AlignDepict.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/PandasTools.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fingerprints -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fingerprints/FingerprintMols.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fingerprints/SimilarityScreener.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fingerprints/MolSimilarity.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fingerprints/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fingerprints/ClusterMols.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Fingerprints/DbFpSupplier.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/EnumerateStereoisomers.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Subshape -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Subshape/SubshapeBuilder.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Subshape/BuilderUtils.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Subshape/demoCombined.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Subshape/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Subshape/SubshapeObjects.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Subshape/SubshapeAligner.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/SATIS.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ReducedGraphs.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Lipinski.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/EnumerateHeterocycles.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MACCSkeys.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolDb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolDb/Loader_sa.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolDb/Loader_orig.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolDb/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolDb/FingerprintUtils.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolDb/Loader.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Graphs.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/PyMol.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/BuildFragmentCatalog.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/QED.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ShowMols.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/EState -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/EState/EState_VSA.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/EState/EState.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/EState/Fingerprinter.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/EState/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/EState/AtomTypes.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolCatalog.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FragmentMatcher.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MCS.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/TemplateAlign.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/RegistrationHash.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolKey -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolKey/InchiInfo.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolKey/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolKey/MolKey.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/TorsionFingerprints.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/SpacialScore.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/ChemicalFeatures.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FilterCatalog.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Descriptors.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Draw -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Draw/FreeSans.ttf -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Draw/InteractiveRenderer.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Draw/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Draw/MolDrawing.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Draw/IPythonConsole.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Draw/SimilarityMaps.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/PropertyMol.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/FastSDMolSupplier.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolSurf.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Crippen.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/SaltRemover.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ForceField -- 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/demo.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/SmartsRemover.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/SmilesDupeFilter.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/SmilesOutput.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/SmartsMolFilter.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/SmilesSupply.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/NodeLib/DbPickleSupplier.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Output.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Transform.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Filter.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Supply.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/VLib/Node.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/__init__.py -- Installing: 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/BitRank.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/entropy.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/BitClusterer.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/DataUtils.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/FindQuantBounds.py -- Installing: 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/ForceFieldTerms.new.odt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/UFF Parameters.ods -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_Correlation.csv -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_Correlation.csv -- Installing: 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Notebooks/compounds.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Notebooks/FingerprintGenerators.ipynb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-example-lactam.ipynb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GenericCores.ipynb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Notebooks/MolStandardize.ipynb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-MutipleCores.ipynb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-RingSubstitution.ipynb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-DummyCores.ipynb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-Tests.ipynb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-StereoChemTest.ipynb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/Makefile -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_12.png -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png -- Installing: 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Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_13.png -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_22.png -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png -- Installing: 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_Book_jp.rst -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/Backwards_incompatible_changes_jp.rst -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/Getting_Started_with_RDKit_in_Python_jp.rst -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/RDKit_cookbook_jp.rst -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/Installation_jp.rst -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/Supplementary_Text_jp.rst -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/conf.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_database_cartridge_jp.rst -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/terminology_jp.rst -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/An_overview_of_the_RDKit_jp.rst -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Book_jp/introduction_jp.rst -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/gsocGeneralFileReader.md -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/Chem -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.ai -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/Chem/FragmentCatalogs.html -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.ai -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.jpg -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.jpg -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/CIPLabeling.md -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/images -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_cis_base.png -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_expand.png -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_or_base.png -- Installing: 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/cansmirk.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/create_mmp_db.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/rfrag.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/data -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_output.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_output.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym_maxheavy.csv -- Installing: 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans_smarts.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks_mol_trans.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_smarts_output.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mol_trans_output.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/search_mmp_db.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/indexing.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/test_rfrag.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/README.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/mmpa/mol_transform.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle/data -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/final_fraggle_results.csv -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query_fragmentation.csv -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/fragmentation_tversky_out -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/ChEMBL_11265_actives.smi -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query.smi -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle/cxn_tversky.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle/fraggle.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle/atomcontrib.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/fraggle/readme.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/NP_Score -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/NP_Score/npscorer.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/NP_Score/publicnp.model.gz -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/NP_Score/README -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/ChiralDescriptors.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/README.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity/AtomAtomPathSimilarity.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ConformerParser -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/test.cpp -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/CMakeLists.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/CMakeLists.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/testConformerParser.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/IFG -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/IFG/ifg.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/IFG/README -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/CMakeLists.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/efgs -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/efgs/try_efgs.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/efgs/ch33query.sql -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/efgs/efgs.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/efgs/README.md -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/M_Kossner -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/Frames.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/README -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/BaseFeatures_DIP2_NoMicrospecies.fdef -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/identifyReactants.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/__init__.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/README.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/utils.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/Glare -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/Glare/glare.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/Glare/README.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/PBF -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/PBF/Makefile -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/PBF/pbf.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/PBF/demo.cpp -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/PBF/testData -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.sdf -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.out -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.cpp -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/PBF/README -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/requirements.txt -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/pytest.ini -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810.smi -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/cmet_ligands.sdf -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_scaffold.mol -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_act.csv -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/setup.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test/test_freewilson.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/freewilson.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/README.md -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1d4i_BEG.pdb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_N15_pH74_netcharge1.pdb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_1.pdb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_3w2p_1C9_pH74_netcharge1.pdb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/aurka_protein_2c6e.pdb -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/lig_crystal_aligned.pdb -- 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/LEF/CreateFps.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePlot.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/Fastcluster -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/cdk2.smi -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/cdk2.sdf -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/sdf2smi.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/converted.smi -- Installing: 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/moe_like.dsc -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/UnitTestDbCLI.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.smi -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.sdf -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr_q1.mol -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.2.smi -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf -- 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__ -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/CreateDb.cpython-314.pyc -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/UnitTestDbCLI.cpython-314-pytest-9.1.1.pyc -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/SearchDb.cpython-314.pyc -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/CreateDb.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/pytest.ini -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/.pytest_cache -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v -- Installing: 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/ForceField/MMFF/PositionConstraint.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/ForceField/MMFF/Params.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ForceField/rdForceField.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDistGeometry.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDistGeometry.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDistGeometry.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/DistGeom/BoundsMatrix.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/DistGeom/ChiralSet.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/DistGeom/ChiralViolationContribs.h -- 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/build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Catalogs/Catalog.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Catalogs/CatalogParams.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGraphMol.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGraphMol.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGraphMol.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Atom.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/atomic_data.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/AtomIterators.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Atropisomers.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Bond.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/BondIterators.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Canon.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Chirality.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Conformer.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/details.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/GraphMol.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolOps.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolPickler.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/PeriodicTable.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/QueryAtom.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/QueryBond.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/QueryOps.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/RDKitBase.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/RDKitQueries.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Resonance.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/RingInfo.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Rings.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ROMol.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/RWMol.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SanitException.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SubstanceGroup.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/StereoGroup.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MonomerInfo.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/new_canon.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolBundle.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Subset.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSmilesParse.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSmilesParse.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSmilesParse.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmartsWrite.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParse.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesWrite.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/CanonicalizeStereoGroups.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesJSONParsers.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDepictor.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDepictor.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDepictor.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Depictor/DepictUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Depictor/EmbeddedFrag.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Depictor/RDDepictor.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDepictor.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMarvinParser.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMarvinParser.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMarvinParser.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MarvinParse/MarvinParser.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFileParsers.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFileParsers.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFileParsers.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/CDXMLParser.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParsers.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParserUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolFileStereochem.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileWriters.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolSupplier.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolSupplier.v1API.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolWriters.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/SequenceParsers.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/SequenceWriters.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/GeneralFileReader.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedMolSupplier.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedSDMolSupplier.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/PNGParser.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSubstructMatch.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSubstructMatch.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSubstructMatch.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Substruct/SubstructMatch.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Substruct/SubstructUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGenericGroups.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGenericGroups.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGenericGroups.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/GenericGroups/GenericGroups.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitChemReactions.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitChemReactions.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitChemReactions.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Reaction.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionParser.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionPickler.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionFingerprints.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionRunner.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/PreprocessRxn.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/SanitizeRxn.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/Enumerate.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateBase.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/CartesianProduct.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSample.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdChemReactions.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitChemTransforms.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitChemTransforms.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitChemTransforms.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/ChemTransforms.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenter.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenterJSONParser.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitTautomerQuery.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitTautomerQuery.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitTautomerQuery.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/TautomerQuery/TautomerQuery.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdTautomerQuery.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSubgraphs.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSubgraphs.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSubgraphs.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Subgraphs/Subgraphs.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Subgraphs/SubgraphUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFilterCatalog.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFilterCatalog.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFilterCatalog.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalog.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterMatcherBase.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterMatchers.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdfiltercatalog.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFragCatalog.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFragCatalog.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFragCatalog.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatGenerator.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatParams.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdfragcatalog.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDescriptors.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDescriptors.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDescriptors.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Crippen.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/BCUT.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Lipinski.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolDescriptors.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolSurf.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/ConnectivityDescriptors.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MQN.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/RegisterDescriptor.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Property.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AUTOCORR2D.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Data3Ddescriptors.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolData3Ddescriptors.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/USRDescriptor.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AtomFeat.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/OxidationNumbers.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/DCLV.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolDescriptors3D.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/EEM.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/PBF.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/PMI.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AUTOCORR3D.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/RDF.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MORSE.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/GETAWAY.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/WHIM.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/CoulombMat.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolDescriptors.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFingerprints.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFingerprints.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFingerprints.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/AtomPairs.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/Fingerprints.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MorganFingerprints.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MACCS.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MHFP.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/FingerprintGenerator.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/AtomPairGenerator.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MorganGenerator.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/RDKitFPGenerator.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/TopologicalTorsionGenerator.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/FingerprintUtil.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdFingerprintGenerator.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMHFPFingerprint.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitPartialCharges.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitPartialCharges.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitPartialCharges.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/PartialCharges/GasteigerCharges.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/PartialCharges/GasteigerParams.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdPartialCharges.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolTransforms.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolTransforms.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolTransforms.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolTransforms/MolTransforms.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolTransforms.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/FFConvenience.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/Builder.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/UFF.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/Builder.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/MMFF.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/PlanarityContribs.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdForceFieldHelpers.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/Embedder.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDistGeom.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolAlign.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolAlign.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolAlign.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitO3AAlign.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitO3AAlign.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitO3AAlign.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/AlignMolecules.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolAlign.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolChemicalFeatures.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitShapeHelpers.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitShapeHelpers.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitShapeHelpers.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ShapeHelpers/ShapeEncoder.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ShapeHelpers/ShapeUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdShapeHelpers.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolCatalog.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolCatalog.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolCatalog.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalog.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolCatalog.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGaussianShape.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGaussianShape.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGaussianShape.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GaussianShape.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/ShapeInput.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/ShapeOverlayOptions.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdGaussianShape.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2Dwx.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DHelpers.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolDraw2D.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolDraw2D.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolDraw2D.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DCairo.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Draw/rdMolDraw2D.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFMCS.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFMCS.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitFMCS.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FMCS/FMCS.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/FMCS/Graph.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdFMCS.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolHash.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolHash.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolHash.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolHash/MolHash.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolHash/nmmolhash.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolHash.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMMPA.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMMPA.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMMPA.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MMPA/MMPA.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMMPA.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitRascalMCES.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitRascalMCES.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitRascalMCES.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalMCES.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalOptions.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalClusterOptions.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalResult.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdRascalMCES.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpace.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSet.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/Synthon.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SearchResults.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdSynthonSpaceSearch.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitEnumerateStereoisomers.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitEnumerateStereoisomers.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitEnumerateStereoisomers.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/EnumerateStereoisomers/EnumerateStereoisomers.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/EnumerateStereoisomers/Flippers.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdEnumerateStereoisomers.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitCIPLabeler.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitCIPLabeler.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitCIPLabeler.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/CIPLabeler/CIPLabeler.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/CIPLabeler/TooManyNodesException.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdCIPLabeler.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDeprotect.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDeprotect.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDeprotect.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Deprotect/Deprotect.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDeprotect.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitReducedGraphs.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitReducedGraphs.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitReducedGraphs.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ReducedGraphs/ReducedGraphs.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdReducedGraphs.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitTrajectory.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitTrajectory.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitTrajectory.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Trajectory/Snapshot.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Trajectory/Trajectory.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSubstructLibrary.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/PatternFactory.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdSubstructLibrary.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecomp.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompParams.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdRGroupDecomposition.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDetermineBonds.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDetermineBonds.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitDetermineBonds.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/DetermineBonds/DetermineBonds.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdDetermineBonds.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolInterchange.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolInterchange.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolInterchange.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolInterchange/MolInterchange.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolInterchange/details.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolInterchange.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSLNParse.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSLNParse.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSLNParse.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNAttribs.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNParse.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNParseOps.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdSLNParse.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdchem.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdmolops.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdqueries.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdmolfiles.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdtrajectory.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolStandardize.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolStandardize.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolStandardize.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Pipeline.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/MolStandardize.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Metal.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Normalize.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Validate.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Charge.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Tautomer.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Fragment.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/MolStandardize/rdMolStandardize.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/Scaffolds/rdScaffoldNetwork.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolEnumerator.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/MolEnumerator.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/LinkNode.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolEnumerator.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitAbbreviations.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitAbbreviations.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitAbbreviations.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/Abbreviations/Abbreviations.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdAbbreviations.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/GeneralizedSubstruct/XQMol.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdGeneralizedSubstruct.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolProcessing.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolProcessing.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolProcessing.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolProcessing/MolProcessing.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMolProcessing.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolInteractionFields.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolInteractionFields.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitMolInteractionFields.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/GraphMol/MolInteractionFields/MIFDescriptors.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdMIF.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/AndQuery.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/EqualityQuery.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/GreaterEqualQuery.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/GreaterQuery.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/LessEqualQuery.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/LessQuery.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/NullQueryAlgebra.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/OrQuery.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/Query.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/QueryObjects.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/RangeQuery.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/SetQuery.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Query/XOrQuery.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/Features/Feature.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricMatrixCalc.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitSimDivPickers.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/SimDivPickers/DistPicker.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/SimDivPickers/LeaderPicker.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/SimDivPickers/HierarchicalClusterPicker.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/SimDivPickers/MaxMinPicker.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/SimDivFilters/rdSimDivPickers.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKithc.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKithc.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKithc.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Cluster/Clustering.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitInfoTheory.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitInfoTheory.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitInfoTheory.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/InfoTheory/rdInfoTheory.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/ML/Data/cQuantize.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1.2026.03.4 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1 -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/libRDKitChemicalFeatures.so -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/ChemicalFeatures/ChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/include/rdkit/ChemicalFeatures/FreeChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/Chem/rdChemicalFeatures.so ===================================================================== PostgreSQL cartridge installation succeeded. ===================================================================== Restart the PostgreSQL service before using the PostgreSQL RDKit cartridge. ===================================================================== -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages/rdkit/RDPaths.py -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets.cmake -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets-none.cmake -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/cmake/rdkit/rdkit-config.cmake -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/cmake/rdkit/rdkit-config-version.cmake -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-targets.cmake -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-targets-none.cmake -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-config.cmake -- Installing: /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-config-version.cmake make[2]: Leaving directory '/build/reproducible-path/rdkit-202603.4/obj-x86_64-linux-gnu' make[1]: Leaving directory '/build/reproducible-path/rdkit-202603.4' debian/rules override_dh_install make[1]: Entering directory '/build/reproducible-path/rdkit-202603.4' mkdir -p /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3 mv /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14/site-packages /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3/dist-packages rm -f -rf /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/lib/python3.14 ln -sf /usr/share/fonts/truetype/freefont/FreeSans.ttf /build/reproducible-path/rdkit-202603.4/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-202603.4/debian/tmp/usr/lib/python3/dist-packages/rdkit/docs/ rm -f -rf /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/__pycache__ rm -f -rf /build/reproducible-path/rdkit-202603.4/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__ dh_numpy3 Possible precedence problem between ! and pattern match (m//) at /usr/bin/dh_numpy3 line 68. Can't stat debian/librdkit1t64: No such file or directory at /usr/bin/dh_numpy3 line 86. Can't stat debian/librdkit-dev: No such file or directory at /usr/bin/dh_numpy3 line 86. Can't stat debian/postgresql-18-rdkit: No such file or directory at /usr/bin/dh_numpy3 line 86. dh_numpy3: skipping binary package librdkit1t64 which does not depend on the NumPy C ABI dh_numpy3: skipping binary package librdkit-dev which does not depend on the NumPy C ABI dh_numpy3: skipping binary package postgresql-18-rdkit which does not depend on the NumPy C ABI 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-202603.4/debian/rdkit-doc/usr/share/doc/rdkit/ # cp /build/reproducible-path/rdkit-202603.4/Docs/Book/_build/latex/RDKit.pdf /build/reproducible-path/rdkit-202603.4/debian/rdkit-doc/usr/share/doc/rdkit/ cp -a /build/reproducible-path/rdkit-202603.4/Docs/Book/_build/html /build/reproducible-path/rdkit-202603.4/debian/rdkit-doc/usr/share/doc/rdkit/ ln -sf /usr/share/javascript/jquery/jquery.js /build/reproducible-path/rdkit-202603.4/debian/rdkit-doc/usr/share/doc/rdkit//html/cppapi/jquery.js ln -sf /usr/share/javascript/jquery/jquery.js /build/reproducible-path/rdkit-202603.4/debian/rdkit-doc/usr/share/doc/rdkit//html/_static/jquery.js ln -sf /usr/share/javascript/underscore/underscore.js /build/reproducible-path/rdkit-202603.4/debian/rdkit-doc/usr/share/doc/rdkit//html/_static/underscore.js make[1]: Leaving directory '/build/reproducible-path/rdkit-202603.4' dh_installdocs -a -O--buildsystem=cmake debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/reproducible-path/rdkit-202603.4' dh_installchangelogs ReleaseNotes.md make[1]: Leaving directory '/build/reproducible-path/rdkit-202603.4' debian/rules override_dh_python3 make[1]: Entering directory '/build/reproducible-path/rdkit-202603.4' dh_python3 -ppython3-rdkit I: dh_python3 fs:507: renaming rdBase.so to rdBase.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdGeometry.so to rdGeometry.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdAbbreviations.so to rdAbbreviations.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdCIPLabeler.so to rdCIPLabeler.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdChemReactions.so to rdChemReactions.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdChemicalFeatures.so to rdChemicalFeatures.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdCoordGen.so to rdCoordGen.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdDepictor.so to rdDepictor.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdDeprotect.so to rdDeprotect.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdDetermineBonds.so to rdDetermineBonds.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdDistGeom.so to rdDistGeom.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdEnumerateStereoisomers.so to rdEnumerateStereoisomers.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdFMCS.so to rdFMCS.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdFingerprintGenerator.so to rdFingerprintGenerator.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdForceFieldHelpers.so to rdForceFieldHelpers.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdGaussianShape.so to rdGaussianShape.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdGeneralizedSubstruct.so to rdGeneralizedSubstruct.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMHFPFingerprint.so to rdMHFPFingerprint.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMIF.so to rdMIF.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMMPA.so to rdMMPA.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMolAlign.so to rdMolAlign.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMolCatalog.so to rdMolCatalog.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMolChemicalFeatures.so to rdMolChemicalFeatures.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMolDescriptors.so to rdMolDescriptors.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMolEnumerator.so to rdMolEnumerator.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMolHash.so to rdMolHash.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMolInterchange.so to rdMolInterchange.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMolProcessing.so to rdMolProcessing.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMolTransforms.so to rdMolTransforms.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdPartialCharges.so to rdPartialCharges.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdRGroupDecomposition.so to rdRGroupDecomposition.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdRascalMCES.so to rdRascalMCES.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdReducedGraphs.so to rdReducedGraphs.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdSLNParse.so to rdSLNParse.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdShapeHelpers.so to rdShapeHelpers.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdSubstructLibrary.so to rdSubstructLibrary.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdSynthonSpaceSearch.so to rdSynthonSpaceSearch.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdTautomerQuery.so to rdTautomerQuery.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdchem.so to rdchem.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdfiltercatalog.so to rdfiltercatalog.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdfragcatalog.so to rdfragcatalog.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdinchi.so to rdinchi.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdmolfiles.so to rdmolfiles.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdmolops.so to rdmolops.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdqueries.so to rdqueries.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdtrajectory.so to rdtrajectory.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMolStandardize.so to rdMolStandardize.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdScaffoldNetwork.so to rdScaffoldNetwork.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMolDraw2D.so to rdMolDraw2D.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdForceField.so to rdForceField.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming DistGeom.so to DistGeom.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdAlignment.so to rdAlignment.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdSimDivPickers.so to rdSimDivPickers.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming Clustering.so to Clustering.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdInfoTheory.so to rdInfoTheory.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming cQuantize.so to cQuantize.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming cDataStructs.so to cDataStructs.cpython-314-x86_64-linux-gnu.so I: dh_python3 fs:507: renaming rdMetricMatrixCalc.so to rdMetricMatrixCalc.cpython-314-x86_64-linux-gnu.so 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-202603.4' 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-202603.4' 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 debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example4.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example5.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example6.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example7.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example8.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example9.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/Cartridge.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/Cookbook.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/GettingStartedInC++.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/GettingStartedInPython.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/GettingStartedWithContributing.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/Install.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/Makefile exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/Overview.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/RDKit_Book.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/api-docs.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/conf.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/5ht3ligs.sdf exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/AmideBond.rxn exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/CrossLink.mol exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/DnaTest3.mol exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/MinimalFeatures.fdef exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/README.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf.gz exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/bzr.sdf exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/bzr.smi exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/cdk2.sdf exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/chiral.mol exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/input.mol exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/invalid.mol exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/s1p_chembldoc89753.txt exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/solubility.test.sdf 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: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molC.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molD.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molE.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molF.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molG.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/PeptideConversion.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_0_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_0_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_0_im2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_13_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_13_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_15_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_15_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_20_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_20_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im3.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im5.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_22_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png exists in debian/tmp but is not 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anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/source/rdkit.utils.fileutils.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/source/rdkit.utils.listutils.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/source/rdkit.utils.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/source/rdkit.utils.spiral.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/An_overview_of_the_RDKit_jp.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/Backwards_incompatible_changes_jp.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/Getting_Started_with_RDKit_in_Python_jp.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/Installation_jp.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/Makefile exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/RDKit_cookbook_jp.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/Supplementary_Text_jp.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/The_RDKit_Book_jp.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/The_RDKit_database_cartridge_jp.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/conf.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/index.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/introduction_jp.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_10.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_11.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_12.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_13.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_14.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_15.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_16.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_17.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_19.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_20.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_21.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_22.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_23.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_24.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_25.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_27.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_28.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_29.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_3.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_30.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_32.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_33.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_35.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_36.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_38.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_39.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_45.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_46.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_52.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_6.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_62.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: 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-202603.4' 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-x86-64.so.2 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib64/ld-linux-x86-64.so.2.usr-is-merged dpkg-shlibdeps: warning: debian/postgresql-18-rdkit/usr/lib/postgresql/18/lib/rdkit.so contains an unresolvable reference to symbol DefineCustomIntVariable: it is probably a plugin dpkg-shlibdeps: warning: 24 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: symbol PyErr_SetString used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2026.03.4 found in none of the libraries dpkg-shlibdeps: warning: symbol PyObject_CallFunction used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2026.03.4 found in none of the libraries dpkg-shlibdeps: warning: symbol PyErr_Occurred used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2026.03.4 found in none of the libraries dpkg-shlibdeps: warning: symbol PyErr_SetObject used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2026.03.4 found in none of the libraries dpkg-shlibdeps: warning: symbol _Py_Dealloc used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2026.03.4 found in none of the libraries dpkg-shlibdeps: warning: symbol PyUnicode_FromStringAndSize used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2026.03.4 found in none of the libraries dpkg-shlibdeps: warning: symbol PyExc_ValueError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2026.03.4 found in none of the libraries dpkg-shlibdeps: warning: symbol PyExc_KeyError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2026.03.4 found in none of the libraries dpkg-shlibdeps: warning: symbol PyExc_RuntimeError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2026.03.4 found in none of the libraries dpkg-shlibdeps: warning: symbol PyObject_IsTrue used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2026.03.4 found in none of the libraries dpkg-shlibdeps: warning: 8 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib64/ld-linux-x86-64.so.2 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib64/ld-linux-x86-64.so.2.usr-is-merged 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: 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 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 dh_md5sums -a -O--buildsystem=cmake dh_builddeb -a -O--buildsystem=cmake dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202603.4-1_amd64.deb'. dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202603.4-1_amd64.deb'. dpkg-deb: building package 'librdkit-dev' in '../librdkit-dev_202603.4-1_amd64.deb'. dpkg-deb: building package 'postgresql-18-rdkit-dbgsym' in '../postgresql-18-rdkit-dbgsym_202603.4-1_amd64.deb'. dpkg-deb: building package 'postgresql-18-rdkit' in '../postgresql-18-rdkit_202603.4-1_amd64.deb'. dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202603.4-1_amd64.deb'. dpkg-deb: building package 'librdkit1t64-dbgsym' in '../librdkit1t64-dbgsym_202603.4-1_amd64.deb'. dpkg-genbuildinfo --build=any -O../rdkit_202603.4-1_amd64.buildinfo dpkg-genchanges --build=any -O../rdkit_202603.4-1_amd64.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 2026-08-03T07:09:30Z Finished -------- I: Built successfully +------------------------------------------------------------------------------+ | Changes Mon, 03 Aug 2026 07:09:31 +0000 | +------------------------------------------------------------------------------+ rdkit_202603.4-1_amd64.changes: ------------------------------- Format: 1.8 Date: Wed, 29 Jul 2026 00:09:39 +0200 Source: rdkit Binary: librdkit-dev librdkit1t64 librdkit1t64-dbgsym postgresql-18-rdkit postgresql-18-rdkit-dbgsym python3-rdkit python3-rdkit-dbgsym Architecture: amd64 Version: 202603.4-1 Distribution: unstable Urgency: medium Maintainer: Debichem Team Changed-By: Michael Banck 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 (202603.4-1) unstable; urgency=medium . * New upstream version 202603.4. * debian/patches/NoDownloads.patch: Refreshed. * debian/patches/sphinx_compile_fixes.patch: Likewise. * debian/patches/disable_pgsql_test.patch: Likewise. * debian/patches/fix_inchi_linking.patch: Likewise. * debian/patches/better_enums.patch: Likewise. Checksums-Sha1: 9f26fe15c26587fabf7934cc76f604e837be396f 518420 librdkit-dev_202603.4-1_amd64.deb 91d86b6d40d1bb5a4d8c3af5c6bc74aba7fc587d 137261120 librdkit1t64-dbgsym_202603.4-1_amd64.deb 9f44a3cdefc607ef89ec024d4ce4aa9e4c8f719c 6559376 librdkit1t64_202603.4-1_amd64.deb 19ed6922cd02b27c2a257656e6d2ba91379ad308 1259108 postgresql-18-rdkit-dbgsym_202603.4-1_amd64.deb 368fdd0dc31916e5342d15cb80ab9d546559efef 269088 postgresql-18-rdkit_202603.4-1_amd64.deb 5dae1cc26c5e141e32a2d24afdc5da3c0fb8da77 68391824 python3-rdkit-dbgsym_202603.4-1_amd64.deb 2c734d0d29405fc43684bea6fa072194eb75e92f 5037112 python3-rdkit_202603.4-1_amd64.deb 3ef0745831fc7a33006a464b876801f7ce93919d 18109 rdkit_202603.4-1_amd64.buildinfo Checksums-Sha256: e37db37f2dd834c00cb05adf0f3c64a4e765c759fd5ec456f4f558abf967ef39 518420 librdkit-dev_202603.4-1_amd64.deb 70ffb651e09bac6b75604f8a2137635be4f3f95300b3561a3f3bdb4b6e17899e 137261120 librdkit1t64-dbgsym_202603.4-1_amd64.deb 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debug optional postgresql-18-rdkit-dbgsym_202603.4-1_amd64.deb a1f28c524a94a0f8ceb1eeb3395662aa 269088 database optional postgresql-18-rdkit_202603.4-1_amd64.deb a4c6aa2460deae104844dd192d6cb8f8 68391824 debug optional python3-rdkit-dbgsym_202603.4-1_amd64.deb ca2deb8eedb633ff182187a73a41ef37 5037112 python optional python3-rdkit_202603.4-1_amd64.deb 7c895f228a9818ef60e2261b0f879e4b 18109 science optional rdkit_202603.4-1_amd64.buildinfo +------------------------------------------------------------------------------+ | Buildinfo Mon, 03 Aug 2026 07:09:32 +0000 | +------------------------------------------------------------------------------+ Format: 1.0 Source: rdkit Binary: librdkit-dev librdkit1t64 librdkit1t64-dbgsym postgresql-18-rdkit postgresql-18-rdkit-dbgsym python3-rdkit python3-rdkit-dbgsym Architecture: amd64 Version: 202603.4-1 Checksums-Md5: 3a56230749f806da0078fdb082f14762 518420 librdkit-dev_202603.4-1_amd64.deb c9e0ec65cefa18726d68eeb393b818fb 137261120 librdkit1t64-dbgsym_202603.4-1_amd64.deb 1f5ab842e40d22481ddb61e780ba5552 6559376 librdkit1t64_202603.4-1_amd64.deb e66402dd118c6b8a1beb7973c9d57253 1259108 postgresql-18-rdkit-dbgsym_202603.4-1_amd64.deb a1f28c524a94a0f8ceb1eeb3395662aa 269088 postgresql-18-rdkit_202603.4-1_amd64.deb a4c6aa2460deae104844dd192d6cb8f8 68391824 python3-rdkit-dbgsym_202603.4-1_amd64.deb ca2deb8eedb633ff182187a73a41ef37 5037112 python3-rdkit_202603.4-1_amd64.deb Checksums-Sha1: 9f26fe15c26587fabf7934cc76f604e837be396f 518420 librdkit-dev_202603.4-1_amd64.deb 91d86b6d40d1bb5a4d8c3af5c6bc74aba7fc587d 137261120 librdkit1t64-dbgsym_202603.4-1_amd64.deb 9f44a3cdefc607ef89ec024d4ce4aa9e4c8f719c 6559376 librdkit1t64_202603.4-1_amd64.deb 19ed6922cd02b27c2a257656e6d2ba91379ad308 1259108 postgresql-18-rdkit-dbgsym_202603.4-1_amd64.deb 368fdd0dc31916e5342d15cb80ab9d546559efef 269088 postgresql-18-rdkit_202603.4-1_amd64.deb 5dae1cc26c5e141e32a2d24afdc5da3c0fb8da77 68391824 python3-rdkit-dbgsym_202603.4-1_amd64.deb 2c734d0d29405fc43684bea6fa072194eb75e92f 5037112 python3-rdkit_202603.4-1_amd64.deb Checksums-Sha256: e37db37f2dd834c00cb05adf0f3c64a4e765c759fd5ec456f4f558abf967ef39 518420 librdkit-dev_202603.4-1_amd64.deb 70ffb651e09bac6b75604f8a2137635be4f3f95300b3561a3f3bdb4b6e17899e 137261120 librdkit1t64-dbgsym_202603.4-1_amd64.deb e11631b3777e4f82e12b8dbbcaa3c7b15bbe451249dbab37207166a2a62ed1f7 6559376 librdkit1t64_202603.4-1_amd64.deb d656d8cb236460509d1f9475c6c962b62f49b7de8e56fe356408dae97d8d208f 1259108 postgresql-18-rdkit-dbgsym_202603.4-1_amd64.deb 6499163a5a5e4caf1da02736af0bea44855242dacdc2aa63d9a354bd6a9dd773 269088 postgresql-18-rdkit_202603.4-1_amd64.deb 3b80a8d502529ae243b979cfa491a7c815966b1db06c33e848e23f9d12c10364 68391824 python3-rdkit-dbgsym_202603.4-1_amd64.deb b07da8717b08dc50e0d931d38d3ea14ecfe21b931de00dbe3ba36a8e9d4cc362 5037112 python3-rdkit_202603.4-1_amd64.deb Build-Origin: Debian Build-Architecture: amd64 Build-Date: Mon, 03 Aug 2026 07:09:27 +0000 Build-Path: /build/reproducible-path/rdkit-202603.4 Installed-Build-Depends: adduser (= 3.158), architecture-properties (= 0.2.6+b2), autoconf (= 2.73-2), automake (= 1:1.18.1-4), autopoint (= 1.0-3), autotools-dev (= 20240727.1+nmu1), base-files (= 14.2), base-passwd (= 3.6.8), bash (= 5.3-3), binutils (= 2.46.90.20260712-1), binutils-common (= 2.46.90.20260712-1), binutils-x86-64-linux-gnu (= 2.46.90.20260712-1), bison (= 2:3.8.2+dfsg-1+b3), bsdextrautils (= 2.42.2-2), bubblewrap (= 0.11.2-2), build-essential (= 12.12), bzip2 (= 1.0.8-6+b2), ca-certificates (= 20260601), catch2 (= 3.7.1-0.6), clang-21 (= 1:21.1.8-10), cmake (= 4.3.4-1), coreutils (= 9.10-1), cpp (= 4:15.2.0-5+b1), cpp-15 (= 15.3.0-2), cpp-15-x86-64-linux-gnu (= 15.3.0-2), cpp-x86-64-linux-gnu (= 4:15.2.0-5+b1), dash (= 0.5.12-12), debconf (= 1.5.92), debhelper (= 14.3), debianutils (= 5.23.2), dh-autoreconf (= 22), dh-python (= 7.20260623), dh-strip-nondeterminism (= 1.15.1-1), diffutils (= 1:3.12-1), docutils-common (= 0.22.4+dfsg-1), doxygen (= 1.15.0+ds1-1.1), dpkg (= 1.23.7), dpkg-dev (= 1.23.7), dwz (= 0.17-1), file (= 1:5.47-4), findutils (= 4.10.0-4), 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++ (= 4:15.2.0-5+b1), g++-15 (= 15.3.0-2), g++-15-x86-64-linux-gnu (= 15.3.0-2), g++-x86-64-linux-gnu (= 4:15.2.0-5+b1), gcc (= 4:15.2.0-5+b1), gcc-15 (= 15.3.0-2), gcc-15-base (= 15.3.0-2), gcc-15-x86-64-linux-gnu (= 15.3.0-2), gcc-16-base (= 16.1.0-3), gcc-x86-64-linux-gnu (= 4:15.2.0-5+b1), gettext (= 1.0-3), gettext-base (= 1.0-3), girepository-tools (= 2.88.2-1), glycin-loaders (= 2.1.5+ds-2), glycin-thumbnailers (= 2.1.5+ds-2), grep (= 3.12-1), groff-base (= 1.24.1-1), gzip (= 1.13-1), hicolor-icon-theme (= 0.18-2), hostname (= 3.25), imagemagick (= 8:7.1.2.27+dfsg1-1+b1), imagemagick-7-common (= 8:7.1.2.27+dfsg1-1), imagemagick-7.q16 (= 8:7.1.2.27+dfsg1-1+b1), init-system-helpers (= 1.69), intltool-debian (= 0.35.0+20060710.6), latexmk (= 1:4.88~ds-1), libabsl20260526 (= 20260526.0-2), libacl1 (= 2.4.0-1), libaom3 (= 3.13.1-2+b1), libapache-pom-java (= 33-2), libarchive-zip-perl (= 1.68-1), libarchive13t64 (= 3.8.8-2), libasan8 (= 16.1.0-3), libatomic1 (= 16.1.0-3), libattr1 (= 1:2.6.0-1), libaudit-common (= 1:4.1.2-1), libaudit1 (= 1:4.1.2-1+b1), libavif16 (= 1.4.2-1), libbinutils (= 2.46.90.20260712-1), libblas3 (= 3.12.1-8), libblkid-dev (= 2.42.2-2), libblkid1 (= 2.42.2-2), libboost-atomic1.90-dev (= 1.90.0-6), libboost-atomic1.90.0 (= 1.90.0-6), libboost-chrono1.90-dev (= 1.90.0-6), libboost-chrono1.90.0 (= 1.90.0-6), libboost-container1.90-dev (= 1.90.0-6), libboost-container1.90.0 (= 1.90.0-6), libboost-date-time1.90-dev (= 1.90.0-6), libboost-date-time1.90.0 (= 1.90.0-6), libboost-dev (= 1.90.0.2), libboost-exception1.90-dev (= 1.90.0-6), libboost-graph1.90-dev (= 1.90.0-6), libboost-graph1.90.0 (= 1.90.0-6), libboost-iostreams-dev (= 1.90.0.2), libboost-iostreams1.90-dev (= 1.90.0-6), libboost-iostreams1.90.0 (= 1.90.0-6), libboost-numpy-dev (= 1.90.0.2), libboost-numpy1.90-dev (= 1.90.0-6), libboost-numpy1.90.0 (= 1.90.0-6), libboost-program-options-dev (= 1.90.0.2), libboost-program-options1.90-dev (= 1.90.0-6), libboost-program-options1.90.0 (= 1.90.0-6), libboost-python-dev (= 1.90.0.2), libboost-python1.90-dev (= 1.90.0-6), libboost-python1.90.0 (= 1.90.0-6), libboost-random1.90-dev (= 1.90.0-6), libboost-random1.90.0 (= 1.90.0-6), libboost-regex-dev (= 1.90.0.2), libboost-regex1.90-dev (= 1.90.0-6), libboost-regex1.90.0 (= 1.90.0-6), libboost-serialization1.90-dev (= 1.90.0-6), libboost-serialization1.90.0 (= 1.90.0-6), libboost-test1.90-dev (= 1.90.0-6), libboost-test1.90.0 (= 1.90.0-6), libboost-thread-dev (= 1.90.0.2), libboost-thread1.90-dev (= 1.90.0-6), libboost-thread1.90.0 (= 1.90.0-6), libboost1.90-dev (= 1.90.0-6), libbrotli-dev (= 1.2.0-3), libbrotli1 (= 1.2.0-3), libbsd0 (= 0.12.2-3), libbz2-1.0 (= 1.0.8-6+b2), libbz2-dev (= 1.0.8-6+b2), libc-bin (= 2.42-17), libc-dev-bin (= 2.42-17), libc-gconv-modules-extra (= 2.42-17), libc6 (= 2.42-17), libc6-dev (= 2.42-17), 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 (= 0.9.3-1+b1), libcap2 (= 1:2.78-1), libcatch2-dev (= 3.7.1-0.6+b1), libcc1-0 (= 16.1.0-3), libclang-common-21-dev (= 1:21.1.8-10), libclang-cpp21 (= 1:21.1.8-10), libclang1-21 (= 1:21.1.8-10), libcom-err2 (= 1.47.4-1), libcommons-logging-java (= 1.3.0-2), libcommons-parent-java (= 56-1), libcoordgen-dev (= 3.0.2-4), libcoordgen3 (= 3.0.2-4), libcrypt1 (= 1:4.5.1-1+b1), libctf-nobfd0 (= 2.46.90.20260712-1), libctf0 (= 2.46.90.20260712-1), libcurl4t64 (= 8.21.0-2), libdatrie1 (= 0.2.14-2), libdav1d7 (= 1.5.4-1), libdb5.3t64 (= 5.3.28+dfsg2-11+b1), libde265-0 (= 1.1.1-1), libdebconfclient0 (= 0.283), libdebhelper-perl (= 14.3), libdeflate0 (= 1.25-1), libdpkg-perl (= 1.23.7), libedit2 (= 3.1-20260512-1), libeigen3-dev (= 3.4.0-5), libelf1t64 (= 0.195-1), libexpat1 (= 2.8.2-1), libexpat1-dev (= 2.8.2-1), libffi-dev (= 3.7.1-2), libffi8 (= 3.7.1-2), libfftw3-double3 (= 3.3.11-1), libfile-stripnondeterminism-perl (= 1.15.1-1), libfmt10 (= 10.1.1+ds1-4+b2), libfontbox-java (= 1:1.8.16-5), libfontconfig-dev (= 2.17.1-5), libfontconfig1 (= 2.17.1-5), libfontenc1 (= 1:1.1.8-1+b3), libfreetype-dev (= 2.14.3+dfsg-2), libfreetype6 (= 2.14.3+dfsg-2), libfribidi0 (= 1.0.16-5+b1), libgav1-2 (= 0.20.0-2+b2), libgc1 (= 1:8.2.12-1), libgcc-15-dev (= 15.3.0-2), libgcc-s1 (= 16.1.0-3), libgdbm-compat4t64 (= 1.26-1+b2), libgdbm6t64 (= 1.26-1+b2), libgdk-pixbuf-2.0-0 (= 2.44.7+dfsg-1), libgdk-pixbuf2.0-common (= 2.44.7+dfsg-1), libgfortran5 (= 16.1.0-3), libgio-2.0-dev (= 2.88.2-1), libgio-2.0-dev-bin (= 2.88.2-1), libgirepository-2.0-0 (= 2.88.2-1), libglib2.0-0t64 (= 2.88.2-1), libglib2.0-bin (= 2.88.2-1), libglib2.0-data (= 2.88.2-1), libglib2.0-dev (= 2.88.2-1), libglib2.0-dev-bin (= 2.88.2-1), libglycin-2-0 (= 2.1.5+ds-2), libgmp10 (= 2:6.3.0+dfsg-5+b2), libgomp1 (= 16.1.0-3), libgprofng0 (= 2.46.90.20260712-1), 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 (= 1.23.1-1), libheif-plugin-libde265 (= 1.23.1-1), libheif1 (= 1.23.1-1), libhwasan0 (= 16.1.0-3), libhwy1t64 (= 1.3.0-2+b1), 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), libinchi1.07 (= 1.07.3+dfsg-2), libio-pty-perl (= 1:1.31-1+b1), libipc-run-perl (= 20260402.0-1), libisl23 (= 0.28-1), libitm1 (= 16.1.0-3), libjansson4 (= 2.15.1-1), libjbig0 (= 2.1-6.1+b3), libjpeg62-turbo (= 1:3.1.3-4), libjs-sphinxdoc (= 9.1.0-6), libjson-perl (= 4.10000-1), libjsoncpp26 (= 1.9.8-2), libjxl0.11 (= 0.11.2-5), libk5crypto3 (= 1.22.1-3), libkeyutils1 (= 1.6.3-6+b2), libkpathsea6 (= 2026.20260303.78225+ds-4), libkrb5-3 (= 1.22.1-3), libkrb5support0 (= 1.22.1-3), liblapack3 (= 3.12.1-8), liblcms2-2 (= 2.19.1-1), libldap2 (= 2.6.13+dfsg-1+b1), liblerc4 (= 4.1.1+ds-2), libllvm21 (= 1:21.1.8-10), liblqr-1-0 (= 0.4.2-2.2+b1), liblsan0 (= 16.1.0-3), libltdl7 (= 2.5.4-11), liblua5.4-0 (= 5.4.8-2), liblz4-1 (= 1.10.0-10), liblzma-dev (= 5.8.3-1), liblzma5 (= 5.8.3-1), liblzo2-2 (= 2.10-3+b2), libmaeparser-dev (= 1.3.3-4+b1), libmaeparser1 (= 1.3.3-4+b1), libmagic-mgc (= 1:5.47-4), libmagic1t64 (= 1:5.47-4), libmagickcore-7.q16-10 (= 8:7.1.2.27+dfsg1-1+b1), libmagickwand-7.q16-10 (= 8:7.1.2.27+dfsg1-1+b1), libmd0 (= 1.2.0-2), libmount-dev (= 2.42.2-2), libmount1 (= 2.42.2-2), libmpc3 (= 1.3.1-3), libmpfi0 (= 1.5.4+ds-5), libmpfr6 (= 4.2.2-3), libncurses-dev (= 6.6+20260608-2), libncurses6 (= 6.6+20260608-2), libncursesw6 (= 6.6+20260608-2), libnettle8t64 (= 3.10.2-1+b1), libnghttp2-14 (= 1.69.0-1), 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), libobjc-15-dev (= 15.3.0-2), libobjc4 (= 16.1.0-3), 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 (= 1.58.0-1), libpangocairo-1.0-0 (= 1.58.0-1), libpangoft2-1.0-0 (= 1.58.0-1), libpaper-utils (= 2.2.5-0.4), libpaper2 (= 2.2.5-0.4), libpcre2-16-0 (= 10.46-1+b2), libpcre2-32-0 (= 10.46-1+b2), libpcre2-8-0 (= 10.46-1+b2), libpcre2-dev (= 10.46-1+b2), libpcre2-posix3 (= 10.46-1+b2), libpdfbox-java (= 1:1.8.16-5), libperl5.42 (= 5.42.2-3), libpfm4 (= 4.13.0+git106-g3e4031b-1+b2), 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 (= 1.6.58-1), libpng16-16t64 (= 1.6.58-1), libpotrace0 (= 1.16-2+b3), libpq-dev (= 18.4-1+b2), libpq5 (= 18.4-1+b2), libproc2-1 (= 2:4.0.6-3), libpsl5t64 (= 0.23.0-1), libptexenc1 (= 2026.20260303.78225+ds-4), libpython3-dev (= 3.14.6-1), libpython3-stdlib (= 3.14.6-1), libpython3.14 (= 3.14.6-1), libpython3.14-dev (= 3.14.6-1), libpython3.14-minimal (= 3.14.6-1), libpython3.14-stdlib (= 3.14.6-1), libquadmath0 (= 16.1.0-3), libraqm0 (= 0.10.5-1), librav1e0.8 (= 0.8.1-11), libraw25 (= 0.22.1-1), libreadline8t64 (= 8.3-4), librhash1 (= 1.4.6-1.1+b1), librsvg2-2 (= 2.62.1+dfsg-1), librsvg2-bin (= 2.62.1+dfsg-1), libsasl2-2 (= 2.1.28+dfsg1-11), libsasl2-modules-db (= 2.1.28+dfsg1-11), libseccomp2 (= 2.6.1-1), libselinux-dev (= 3.11-2), libselinux1 (= 3.11-2), libsemanage-common (= 3.11-1), libsemanage2 (= 3.11-1), libsepol-dev (= 3.11-1), libsepol2 (= 3.11-1), libsframe3 (= 2.46.90.20260712-1), libsharpyuv0 (= 1.5.0-0.1+b2), libsm-dev (= 2:1.2.6-1+b2), libsm6 (= 2:1.2.6-1+b2), libsmartcols1 (= 2.42.2-2), libspdlog1.15 (= 1:1.15.3+ds-1+b2), libsqlite3-0 (= 3.53.4-1), libsqlite3-dev (= 3.53.4-1), libssh2-1t64 (= 1.11.1-5), libssl-dev (= 3.6.3-1), libssl3t64 (= 3.6.3-1), libstdc++-15-dev (= 15.3.0-2), libstdc++6 (= 16.1.0-3), libsvtav1enc4 (= 4.1.0+dfsg-1), libsynctex2 (= 2026.20260303.78225+ds-4), libsysprof-capture-4-dev (= 50.0-3), libsystemd-shared (= 261.2-1), libsystemd0 (= 261.2-1), libteckit0 (= 2.5.13+ds-2), libtexlua53-5 (= 2026.20260303.78225+ds-4), 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 (= 2.5.4-11), libtsan2 (= 16.1.0-3), libubsan1 (= 16.1.0-3), libuchardet0 (= 0.0.8-2+b2), libudev1 (= 261.2-1), libunistring5 (= 1.4.2-1), libuuid1 (= 2.42.2-2), libuv1t64 (= 1.52.1-4), libwebp7 (= 1.5.0-0.1+b2), libwebpdemux2 (= 1.5.0-0.1+b2), libwebpmux3 (= 1.5.0-0.1+b2), libx11-6 (= 2:1.8.13-1), libx11-data (= 2:1.8.13-1), libx11-dev (= 2:1.8.13-1), libxapian30 (= 1.4.31-2), 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 (= 2:1.8.2-2+b1), libxml2-16 (= 2.15.3+dfsg-1), libxml2-dev (= 2.15.3+dfsg-1), libxmu6 (= 2:1.1.3-4+b1), libxpm4 (= 1:3.5.19-1), libxrender-dev (= 1:0.9.12-1+b2), libxrender1 (= 1:0.9.12-1+b2), libxt6t64 (= 1:1.2.1-1.3+b2), libxxhash0 (= 0.8.3-2+b2), libyaml-0-2 (= 0.2.5-2+b1), libyuv0 (= 0.0.1949.20260706-1), libz3-4 (= 4.13.3-1.1), libz3-dev (= 4.13.3-1.1), libzstd1 (= 1.5.7+dfsg-3+b2), libzzip-0-13t64 (= 0.13.78+dfsg.1-0.2+b1), linux-libc-dev (= 7.1.4-1), llvm-21 (= 1:21.1.8-10), llvm-21-dev (= 1:21.1.8-10), llvm-21-linker-tools (= 1:21.1.8-10), llvm-21-runtime (= 1:21.1.8-10), llvm-21-tools (= 1:21.1.8-10), login.defs (= 1:4.19.3-2), m4 (= 1.4.21-1), make (= 4.4.1-3), man-db (= 2.13.1-1), mawk (= 1.3.4.20260302-1), media-types (= 14.0.0), native-architecture (= 0.2.6), ncurses-base (= 6.6+20260608-2), ncurses-bin (= 6.6+20260608-2), netbase (= 6.5), openssl (= 3.6.3-1), openssl-provider-legacy (= 3.6.3-1), pandoc (= 3.10-1), pandoc-data (= 3.10-1), passwd (= 1:4.19.3-2), patch (= 2.8-2), perl (= 5.42.2-3), perl-base (= 5.42.2-3), perl-modules-5.42 (= 5.42.2-3), pkgconf (= 2.5.1-4), pkgconf-bin (= 2.5.1-4), po-debconf (= 1.0.22), postgresql-client-18 (= 18.4-1+b2), postgresql-client-common (= 293), postgresql-common (= 293), postgresql-common-dev (= 293), postgresql-server-dev-18 (= 18.4-1+b2), postgresql-server-dev-all (= 293), preview-latex-style (= 13.2-1.1), procps (= 2:4.0.6-3), python-babel-localedata (= 2.17.0-2), python3 (= 3.14.6-1), python3-alabaster (= 1.0.0-1), python3-babel (= 2.17.0-2), python3-certifi (= 2026.7.22+ds-1), python3-chardet (= 5.2.0+dfsg-2), python3-charset-normalizer (= 3.4.7-2), python3-commonmark (= 0.9.1-8), python3-dateutil (= 2.9.0-5), python3-defusedxml (= 0.7.1-3), python3-dev (= 3.14.6-1), python3-docutils (= 0.22.4+dfsg-1), python3-greenlet (= 3.3.2-4), python3-idna (= 3.18-1), python3-imagesize (= 2.0.0-1), python3-iniconfig (= 2.1.0-2), python3-jinja2 (= 3.1.6-3), python3-linkify-it (= 2.1.0-1), python3-markdown-it (= 4.2.0-3), python3-markupsafe (= 3.0.3-1+b1), python3-mdit-py-plugins (= 0.6.1-1), python3-mdurl (= 0.1.2-1), python3-minimal (= 3.14.6-1), python3-myst-parser (= 5.1.0-2), python3-numpy (= 1:2.4.6+ds-4), python3-numpy-dev (= 1:2.4.6+ds-4), python3-packaging (= 26.2-2), python3-pandas (= 2.3.3+dfsg-3), python3-pandas-lib (= 2.3.3+dfsg-3+b1), python3-pil (= 12.3.0-1), python3-pluggy (= 1.6.0-2), python3-pygments (= 2.20.0+dfsg-2), python3-pytest (= 9.1.1-1), python3-pytz (= 2025.2-7), 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 (= 9.1.0-6), python3-sqlalchemy (= 2.0.48+ds1-1), python3-typing-extensions (= 4.16.0-4), python3-uc-micro (= 2.0.0-1), python3-urllib3 (= 2.7.0-3), python3-yaml (= 6.0.3-1), python3.14 (= 3.14.6-1), python3.14-dev (= 3.14.6-1), python3.14-minimal (= 3.14.6-1), rapidjson-dev (= 1.1.0+dfsg2-7.6), readline-common (= 8.3-4), rpcsvc-proto (= 1.4.4-1), sed (= 4.9-3), sensible-utils (= 0.0.26), sgml-base (= 1.31+nmu1), shared-mime-info (= 2.4-5+b3), sphinx-common (= 9.1.0-6), ssl-cert (= 1.1.3), systemd (= 261.2-1), sysvinit-utils (= 3.18-1), t1utils (= 1.41-4), tar (= 1.35+dfsg-4), tex-common (= 6.20), tex-gyre (= 20180621-8), texlive-base (= 2026.20260711-2), texlive-binaries (= 2026.20260303.78225+ds-4), texlive-fonts-recommended (= 2026.20260711-2), texlive-latex-base (= 2026.20260711-2), texlive-latex-extra (= 2026.20260711-2), texlive-latex-recommended (= 2026.20260711-2), texlive-pictures (= 2026.20260711-2), tzdata (= 2026c-1), ucf (= 3.0056), util-linux (= 2.42.2-2), uuid-dev (= 2.42.2-2), 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), xml-core (= 0.21), xorg-sgml-doctools (= 1:1.12.1-1), xtrans-dev (= 1.6.0-1), xz-utils (= 5.8.3-1), zlib1g (= 1:1.3.dfsg+really1.3.2-3), zlib1g-dev (= 1:1.3.dfsg+really1.3.2-3) Environment: DEB_BUILD_OPTIONS="parallel=6" LANG="C.UTF-8" LC_COLLATE="C.UTF-8" LC_CTYPE="C.UTF-8" SOURCE_DATE_EPOCH="1785276579" +------------------------------------------------------------------------------+ | Package contents Mon, 03 Aug 2026 07:09:32 +0000 | +------------------------------------------------------------------------------+ librdkit-dev_202603.4-1_amd64.deb --------------------------------- new Debian package, version 2.0. size 518420 bytes: control archive=11100 bytes. 1505 bytes, 37 lines control 32566 bytes, 382 lines md5sums Package: librdkit-dev Source: rdkit Version: 202603.4-1 Architecture: amd64 Maintainer: Debichem Team Installed-Size: 2899 Depends: librdkit1t64 (= 202603.4-1) 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 2026-07-28 22:09 ./ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/Catalogs/ -rw-r--r-- root/root 15921 2026-07-09 14:44 ./usr/include/rdkit/Catalogs/Catalog.h -rw-r--r-- root/root 1364 2026-07-09 14:44 ./usr/include/rdkit/Catalogs/CatalogEntry.h -rw-r--r-- root/root 1243 2026-07-09 14:44 ./usr/include/rdkit/Catalogs/CatalogParams.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/ChemicalFeatures/ -rw-r--r-- root/root 1052 2026-07-09 14:44 ./usr/include/rdkit/ChemicalFeatures/ChemicalFeature.h -rw-r--r-- root/root 2936 2026-07-09 14:44 ./usr/include/rdkit/ChemicalFeatures/FreeChemicalFeature.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/DataManip/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/DataManip/MetricMatrixCalc/ -rw-r--r-- root/root 1867 2026-07-09 14:44 ./usr/include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h -rw-r--r-- root/root 3524 2026-07-09 14:44 ./usr/include/rdkit/DataManip/MetricMatrixCalc/MetricMatrixCalc.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/DataStructs/ -rw-r--r-- root/root 11910 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/BitOps.h -rw-r--r-- root/root 2509 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/BitVect.h -rw-r--r-- root/root 1120 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/BitVectUtils.h -rw-r--r-- root/root 584 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/BitVects.h -rw-r--r-- root/root 897 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/DatastructsException.h -rw-r--r-- root/root 2775 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/DatastructsStreamOps.h -rw-r--r-- root/root 872 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/DiscreteDistMat.h -rw-r--r-- root/root 4395 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/DiscreteValueVect.h -rw-r--r-- root/root 3480 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/ExplicitBitVect.h -rw-r--r-- root/root 9516 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/FPBReader.h -rw-r--r-- root/root 7562 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/MultiFPBReader.h -rw-r--r-- root/root 4117 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/RealValueVect.h -rw-r--r-- root/root 3477 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/SparseBitVect.h -rw-r--r-- root/root 16947 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/SparseIntVect.h -rw-r--r-- root/root 1296 2026-07-09 14:44 ./usr/include/rdkit/DataStructs/base64.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/DistGeom/ -rw-r--r-- root/root 3205 2026-07-09 14:44 ./usr/include/rdkit/DistGeom/BoundsMatrix.h -rw-r--r-- root/root 2001 2026-07-09 14:44 ./usr/include/rdkit/DistGeom/ChiralSet.h -rw-r--r-- root/root 2964 2026-07-09 14:44 ./usr/include/rdkit/DistGeom/ChiralViolationContribs.h -rw-r--r-- root/root 11690 2026-07-09 14:44 ./usr/include/rdkit/DistGeom/DistGeomUtils.h -rw-r--r-- root/root 2194 2026-07-09 14:44 ./usr/include/rdkit/DistGeom/DistViolationContribs.h -rw-r--r-- root/root 2507 2026-07-09 14:44 ./usr/include/rdkit/DistGeom/FourthDimContribs.h -rw-r--r-- root/root 1310 2026-07-09 14:44 ./usr/include/rdkit/DistGeom/TriangleSmooth.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/Features/ -rw-r--r-- root/root 2898 2026-07-09 14:44 ./usr/include/rdkit/Features/Feature.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/ForceField/ -rw-r--r-- root/root 2174 2026-07-09 14:44 ./usr/include/rdkit/ForceField/AngleConstraint.h -rw-r--r-- root/root 4181 2026-07-09 14:44 ./usr/include/rdkit/ForceField/AngleConstraints.h -rw-r--r-- root/root 1116 2026-07-09 14:44 ./usr/include/rdkit/ForceField/Contrib.h -rw-r--r-- root/root 1917 2026-07-09 14:44 ./usr/include/rdkit/ForceField/DistanceConstraint.h -rw-r--r-- root/root 3499 2026-07-09 14:44 ./usr/include/rdkit/ForceField/DistanceConstraints.h -rw-r--r-- root/root 9291 2026-07-09 14:44 ./usr/include/rdkit/ForceField/ForceField.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/ForceField/MMFF/ -rw-r--r-- root/root 2958 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/AngleBend.h -rw-r--r-- root/root 603 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/AngleConstraint.h -rw-r--r-- root/root 2312 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/BondStretch.h -rw-r--r-- root/root 663 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/Contribs.h -rw-r--r-- root/root 618 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/DistanceConstraint.h -rw-r--r-- root/root 5271 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/Nonbonded.h -rw-r--r-- root/root 2448 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/OopBend.h -rw-r--r-- root/root 35314 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/Params.h -rw-r--r-- root/root 618 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/PositionConstraint.h -rw-r--r-- root/root 2509 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/StretchBend.h -rw-r--r-- root/root 3162 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/TorsionAngle.h -rw-r--r-- root/root 613 2026-07-09 14:44 ./usr/include/rdkit/ForceField/MMFF/TorsionConstraint.h -rw-r--r-- root/root 1614 2026-07-09 14:44 ./usr/include/rdkit/ForceField/PositionConstraint.h -rw-r--r-- root/root 2630 2026-07-09 14:44 ./usr/include/rdkit/ForceField/TorsionConstraint.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/ForceField/UFF/ -rw-r--r-- root/root 3539 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/AngleBend.h -rw-r--r-- root/root 599 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/AngleConstraint.h -rw-r--r-- root/root 2573 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/BondStretch.h -rw-r--r-- root/root 623 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/Contribs.h -rw-r--r-- root/root 614 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/DistanceConstraint.h -rw-r--r-- root/root 1810 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/Inversion.h -rw-r--r-- root/root 4218 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/Inversions.h -rw-r--r-- root/root 2875 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/Nonbonded.h -rw-r--r-- root/root 4421 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/Params.h -rw-r--r-- root/root 614 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/PositionConstraint.h -rw-r--r-- root/root 4577 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/TorsionAngle.h -rw-r--r-- root/root 609 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/TorsionConstraint.h -rw-r--r-- root/root 1368 2026-07-09 14:44 ./usr/include/rdkit/ForceField/UFF/Utils.h -rw-r--r-- root/root 8997 2026-07-09 14:44 ./usr/include/rdkit/GaussianShape.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/Geometry/ -rw-r--r-- root/root 1672 2026-07-09 14:44 ./usr/include/rdkit/Geometry/Grid3D.h -rw-r--r-- root/root 2027 2026-07-09 14:44 ./usr/include/rdkit/Geometry/GridUtils.h -rw-r--r-- root/root 449 2026-07-09 14:44 ./usr/include/rdkit/Geometry/Transform.h -rw-r--r-- root/root 2599 2026-07-09 14:44 ./usr/include/rdkit/Geometry/Transform2D.h -rw-r--r-- root/root 3192 2026-07-09 14:44 ./usr/include/rdkit/Geometry/Transform3D.h -rw-r--r-- root/root 8617 2026-07-09 14:44 ./usr/include/rdkit/Geometry/UniformGrid3D.h -rw-r--r-- root/root 8108 2026-07-09 14:44 ./usr/include/rdkit/Geometry/UniformRealValueGrid3D.h -rw-r--r-- root/root 3338 2026-07-09 14:44 ./usr/include/rdkit/Geometry/Utils.h -rw-r--r-- root/root 15924 2026-07-09 14:44 ./usr/include/rdkit/Geometry/point.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/Abbreviations/ -rw-r--r-- root/root 5616 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Abbreviations/Abbreviations.h -rw-r--r-- root/root 16305 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Atom.h -rw-r--r-- root/root 5673 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/AtomIterators.h -rw-r--r-- root/root 1513 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Atropisomers.h -rw-r--r-- root/root 13403 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Bond.h -rw-r--r-- root/root 2354 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/BondIterators.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/CIPLabeler/ -rw-r--r-- root/root 2836 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/CIPLabeler/CIPLabeler.h -rw-r--r-- root/root 628 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/CIPLabeler/TooManyNodesException.h -rw-r--r-- root/root 4862 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Canon.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/ChemReactions/ drwxr-xr-x root/root 0 2026-07-28 22:09 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2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ChemReactions/PreprocessRxn.h -rw-r--r-- root/root 19698 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ChemReactions/Reaction.h -rw-r--r-- root/root 5858 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ChemReactions/ReactionFingerprints.h -rw-r--r-- root/root 18116 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ChemReactions/ReactionParser.h -rw-r--r-- root/root 4333 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ChemReactions/ReactionPickler.h -rw-r--r-- root/root 4944 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ChemReactions/ReactionRunner.h -rw-r--r-- root/root 3151 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ChemReactions/ReactionUtils.h -rw-r--r-- root/root 6887 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ChemReactions/SanitizeRxn.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/ChemTransforms/ -rw-r--r-- root/root 12027 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ChemTransforms/ChemTransforms.h -rw-r--r-- root/root 6766 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenter.h -rw-r--r-- root/root 721 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenterJSONParser.h -rw-r--r-- root/root 16439 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Chirality.h -rw-r--r-- root/root 5274 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Conformer.h -rw-r--r-- root/root 7013 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/CoordGen.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/Depictor/ -rw-r--r-- root/root 14052 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Depictor/DepictUtils.h -rw-r--r-- root/root 20374 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Depictor/EmbeddedFrag.h -rw-r--r-- root/root 21009 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Depictor/RDDepictor.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/Deprotect/ -rw-r--r-- root/root 3471 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Deprotect/Deprotect.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/Descriptors/ -rw-r--r-- root/root 2073 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Descriptors/AUTOCORR2D.h -rw-r--r-- root/root 2128 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Descriptors/AUTOCORR3D.h -rw-r--r-- root/root 1607 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Descriptors/AtomFeat.h -rw-r--r-- root/root 2369 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Descriptors/BCUT.h -rw-r--r-- root/root 8540 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Descriptors/ConnectivityDescriptors.h -rw-r--r-- root/root 1864 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Descriptors/CoulombMat.h -rw-r--r-- root/root 4679 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Descriptors/Crippen.h -rw-r--r-- root/root 4728 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Descriptors/DCLV.h -rw-r--r-- root/root 2116 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Descriptors/Data3Ddescriptors.h -rw-r--r-- root/root 2138 2026-07-09 14:44 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./usr/include/rdkit/GraphMol/FileParsers/FileParserUtils.h -rw-r--r-- root/root 21467 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/FileParsers.h -rw-r--r-- root/root 10856 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/FileWriters.h -rw-r--r-- root/root 6484 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/GeneralFileReader.h -rw-r--r-- root/root 4613 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/MolFileStereochem.h -rw-r--r-- root/root 24029 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/MolSupplier.h -rw-r--r-- root/root 18434 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/MolSupplier.v1API.h -rw-r--r-- root/root 14198 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/MolWriters.h -rw-r--r-- root/root 6921 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/MultithreadedMolSupplier.h -rw-r--r-- root/root 5531 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/MultithreadedSDMolSupplier.h -rw-r--r-- root/root 5418 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h -rw-r--r-- root/root 9773 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/PNGParser.h -rw-r--r-- root/root 4093 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/SequenceParsers.h -rw-r--r-- root/root 1360 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FileParsers/SequenceWriters.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/FilterCatalog/ -rw-r--r-- root/root 9486 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalog.h -rw-r--r-- root/root 8317 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalogEntry.h -rw-r--r-- root/root 5334 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FilterCatalog/FilterMatcherBase.h -rw-r--r-- root/root 20279 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FilterCatalog/FilterMatchers.h -rw-r--r-- root/root 2474 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/Fingerprints/ -rw-r--r-- root/root 7589 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Fingerprints/AtomPairGenerator.h -rw-r--r-- root/root 12649 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Fingerprints/AtomPairs.h -rw-r--r-- root/root 21025 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Fingerprints/FingerprintGenerator.h -rw-r--r-- root/root 5564 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Fingerprints/FingerprintUtil.h -rw-r--r-- root/root 6919 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Fingerprints/Fingerprints.h -rw-r--r-- root/root 774 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Fingerprints/MACCS.h -rw-r--r-- root/root 11133 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Fingerprints/MHFP.h -rw-r--r-- root/root 9725 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Fingerprints/MorganFingerprints.h -rw-r--r-- root/root 13416 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Fingerprints/MorganGenerator.h -rw-r--r-- root/root 7056 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Fingerprints/RDKitFPGenerator.h -rw-r--r-- root/root 5561 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Fingerprints/TopologicalTorsionGenerator.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/ -rw-r--r-- root/root 2533 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/PlanarityContribs.h -rw-r--r-- root/root 3685 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h -rw-r--r-- root/root 2258 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h -rw-r--r-- root/root 2855 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h -rw-r--r-- root/root 5229 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/FFConvenience.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/ -rw-r--r-- root/root 10331 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h -rw-r--r-- root/root 5376 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/Builder.h -rw-r--r-- root/root 4305 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/MMFF.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/ -rw-r--r-- root/root 2111 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h -rw-r--r-- root/root 5050 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/Builder.h -rw-r--r-- root/root 3360 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/UFF.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/FragCatalog/ -rw-r--r-- root/root 817 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FragCatalog/FragCatGenerator.h -rw-r--r-- root/root 3094 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FragCatalog/FragCatParams.h -rw-r--r-- root/root 3146 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FragCatalog/FragCatalogEntry.h -rw-r--r-- root/root 2585 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FragCatalog/FragCatalogUtils.h -rw-r--r-- root/root 1018 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/GeneralizedSubstruct/ -rw-r--r-- root/root 4309 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/GeneralizedSubstruct/XQMol.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/GenericGroups/ -rw-r--r-- root/root 19934 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/GenericGroups/GenericGroups.h -rw-r--r-- root/root 479 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/GraphMol.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MMPA/ -rw-r--r-- root/root 3391 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MMPA/MMPA.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MarvinParse/ -rw-r--r-- root/root 8318 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MarvinParse/MarvinParser.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolAlign/ -rw-r--r-- root/root 19636 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolAlign/AlignMolecules.h -rw-r--r-- root/root 13596 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h -rw-r--r-- root/root 5903 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolBundle.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolCatalog/ -rw-r--r-- root/root 449 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolCatalog/MolCatalog.h -rw-r--r-- root/root 2926 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolCatalog/MolCatalogEntry.h -rw-r--r-- root/root 1100 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolCatalog/MolCatalogParams.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolChemicalFeatures/ -rw-r--r-- root/root 2106 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h -rw-r--r-- root/root 3290 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h -rw-r--r-- root/root 2142 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h -rw-r--r-- root/root 2763 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolDraw2D/ -rw-r--r-- root/root 26533 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h -rw-r--r-- root/root 3415 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DCairo.h -rw-r--r-- root/root 18219 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DHelpers.h -rw-r--r-- root/root 2312 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h -rw-r--r-- root/root 3190 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h -rw-r--r-- root/root 11361 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h -rw-r--r-- root/root 3347 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2Dwx.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolEnumerator/ -rw-r--r-- root/root 5065 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolEnumerator/LinkNode.h -rw-r--r-- root/root 9311 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolEnumerator/MolEnumerator.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolHash/ -rw-r--r-- root/root 363 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolHash/MolHash.h -rw-r--r-- root/root 2295 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolHash/nmmolhash.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolInteractionFields/ -rw-r--r-- root/root 22324 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolInteractionFields/MIFDescriptors.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolInterchange/ -rw-r--r-- root/root 3271 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolInterchange/MolInterchange.h -rw-r--r-- root/root 2724 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolInterchange/details.h -rw-r--r-- root/root 55878 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolOps.h -rw-r--r-- root/root 11598 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolPickler.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolProcessing/ -rw-r--r-- root/root 1275 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolProcessing/MolProcessing.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolStandardize/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/ -rw-r--r-- root/root 1488 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h -rw-r--r-- root/root 1776 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h -rw-r--r-- root/root 1121 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h -rw-r--r-- root/root 5681 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/Charge.h -rw-r--r-- root/root 3627 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/Fragment.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/ -rw-r--r-- root/root 1584 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h -rw-r--r-- root/root 1730 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h -rw-r--r-- root/root 1054 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h -rw-r--r-- root/root 2981 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/Metal.h -rw-r--r-- root/root 12579 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/MolStandardize.h -rw-r--r-- root/root 3528 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/Normalize.h -rw-r--r-- root/root 10588 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/Pipeline.h -rw-r--r-- root/root 21060 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/Tautomer.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/ -rw-r--r-- root/root 1568 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h -rw-r--r-- root/root 2716 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h -rw-r--r-- root/root 1510 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/ -rw-r--r-- root/root 1525 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h -rw-r--r-- root/root 2111 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h -rw-r--r-- root/root 1141 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h -rw-r--r-- root/root 11321 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolStandardize/Validate.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/MolTransforms/ -rw-r--r-- root/root 9928 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MolTransforms/MolTransforms.h -rw-r--r-- root/root 5996 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/MonomerInfo.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/PartialCharges/ -rw-r--r-- root/root 883 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/PartialCharges/GasteigerCharges.h -rw-r--r-- root/root 2624 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/PartialCharges/GasteigerParams.h -rw-r--r-- root/root 12193 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/PeriodicTable.h -rw-r--r-- root/root 5042 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/QueryAtom.h -rw-r--r-- root/root 4454 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/QueryBond.h -rw-r--r-- root/root 42438 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/QueryOps.h -rw-r--r-- root/root 852 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/RDKitBase.h -rw-r--r-- root/root 581 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/RDKitQueries.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/RGroupDecomposition/ -rw-r--r-- root/root 5130 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecomp.h -rw-r--r-- root/root 720 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompJSONParsers.h -rw-r--r-- root/root 4491 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompParams.h -rw-r--r-- root/root 33305 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ROMol.h -rw-r--r-- root/root 6808 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/RWMol.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/RascalMCES/ -rw-r--r-- root/root 2593 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/RascalMCES/RascalClusterOptions.h -rw-r--r-- root/root 2682 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/RascalMCES/RascalMCES.h -rw-r--r-- root/root 4740 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/RascalMCES/RascalOptions.h -rw-r--r-- root/root 5458 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/RascalMCES/RascalResult.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/ReducedGraphs/ -rw-r--r-- root/root 2712 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ReducedGraphs/ReducedGraphs.h -rw-r--r-- root/root 9598 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Resonance.h -rw-r--r-- root/root 10706 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/RingInfo.h -rw-r--r-- root/root 3460 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Rings.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/SLNParse/ -rw-r--r-- root/root 3418 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SLNParse/SLNAttribs.h -rw-r--r-- root/root 2796 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SLNParse/SLNParse.h -rw-r--r-- root/root 11545 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SLNParse/SLNParseOps.h -rw-r--r-- root/root 4232 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SanitException.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/ScaffoldNetwork/ -rw-r--r-- root/root 6650 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/ShapeHelpers/ -rw-r--r-- root/root 2956 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ShapeHelpers/ShapeEncoder.h -rw-r--r-- root/root 11904 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/ShapeHelpers/ShapeUtils.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/SmilesParse/ -rw-r--r-- root/root 1569 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SmilesParse/CanonicalizeStereoGroups.h -rw-r--r-- root/root 3223 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SmilesParse/SmartsWrite.h -rw-r--r-- root/root 970 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SmilesParse/SmilesJSONParsers.h -rw-r--r-- root/root 9138 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SmilesParse/SmilesParse.h -rw-r--r-- root/root 3395 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h -rw-r--r-- root/root 15383 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SmilesParse/SmilesWrite.h -rw-r--r-- root/root 3999 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/StereoGroup.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/Subgraphs/ -rw-r--r-- root/root 2306 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Subgraphs/SubgraphUtils.h -rw-r--r-- root/root 6682 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Subgraphs/Subgraphs.h -rw-r--r-- root/root 4838 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Subset.h -rw-r--r-- root/root 10521 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SubstanceGroup.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/Substruct/ -rw-r--r-- root/root 12504 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Substruct/SubstructMatch.h -rw-r--r-- root/root 2171 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Substruct/SubstructUtils.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/SubstructLibrary/ -rw-r--r-- root/root 1458 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SubstructLibrary/PatternFactory.h -rw-r--r-- root/root 36428 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h -rw-r--r-- root/root 8146 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/ -rw-r--r-- root/root 3032 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SearchResults.h -rw-r--r-- root/root 3532 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/Synthon.h -rw-r--r-- root/root 6423 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSet.h -rw-r--r-- root/root 20405 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpace.h -rw-r--r-- root/root 2199 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h -rw-r--r-- root/root 1721 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceRascalSearcher.h -rw-r--r-- root/root 6010 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h -rw-r--r-- root/root 2960 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/TautomerQuery/ -rw-r--r-- root/root 5443 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/TautomerQuery/TautomerQuery.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/GraphMol/Trajectory/ -rw-r--r-- root/root 2259 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Trajectory/Snapshot.h -rw-r--r-- root/root 4447 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/Trajectory/Trajectory.h -rw-r--r-- root/root 2464 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/atomic_data.h -rw-r--r-- root/root 373 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/details.h -rw-r--r-- root/root 5797 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/inchi.h -rw-r--r-- root/root 29767 2026-07-09 14:44 ./usr/include/rdkit/GraphMol/new_canon.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/Numerics/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/Numerics/Alignment/ -rw-r--r-- root/root 1644 2026-07-09 14:44 ./usr/include/rdkit/Numerics/Alignment/AlignPoints.h -rw-r--r-- root/root 10355 2026-07-09 14:44 ./usr/include/rdkit/Numerics/Conrec.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/Numerics/EigenSolvers/ -rw-r--r-- root/root 2106 2026-07-09 14:44 ./usr/include/rdkit/Numerics/EigenSolvers/PowerEigenSolver.h -rw-r--r-- root/root 10973 2026-07-09 14:44 ./usr/include/rdkit/Numerics/Matrix.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/Numerics/Optimizer/ -rw-r--r-- root/root 14321 2026-07-09 14:44 ./usr/include/rdkit/Numerics/Optimizer/BFGSOpt.h -rw-r--r-- root/root 7596 2026-07-09 14:44 ./usr/include/rdkit/Numerics/Optimizer/BFGSOpt_SVE.h -rw-r--r-- root/root 2631 2026-07-09 14:44 ./usr/include/rdkit/Numerics/SquareMatrix.h -rw-r--r-- root/root 10168 2026-07-09 14:44 ./usr/include/rdkit/Numerics/SymmMatrix.h -rw-r--r-- root/root 8571 2026-07-09 14:44 ./usr/include/rdkit/Numerics/Vector.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/Query/ -rw-r--r-- root/root 1804 2026-07-09 14:44 ./usr/include/rdkit/Query/AndQuery.h -rw-r--r-- root/root 2666 2026-07-09 14:44 ./usr/include/rdkit/Query/EqualityQuery.h -rw-r--r-- root/root 2342 2026-07-09 14:44 ./usr/include/rdkit/Query/GreaterEqualQuery.h -rw-r--r-- root/root 2263 2026-07-09 14:44 ./usr/include/rdkit/Query/GreaterQuery.h -rw-r--r-- root/root 2316 2026-07-09 14:44 ./usr/include/rdkit/Query/LessEqualQuery.h -rw-r--r-- root/root 2239 2026-07-09 14:44 ./usr/include/rdkit/Query/LessQuery.h -rw-r--r-- root/root 2556 2026-07-09 14:44 ./usr/include/rdkit/Query/NullQueryAlgebra.h -rw-r--r-- root/root 1795 2026-07-09 14:44 ./usr/include/rdkit/Query/OrQuery.h -rw-r--r-- root/root 6975 2026-07-09 14:44 ./usr/include/rdkit/Query/Query.h -rw-r--r-- root/root 839 2026-07-09 14:44 ./usr/include/rdkit/Query/QueryObjects.h -rw-r--r-- root/root 3765 2026-07-09 14:44 ./usr/include/rdkit/Query/RangeQuery.h -rw-r--r-- root/root 2690 2026-07-09 14:44 ./usr/include/rdkit/Query/SetQuery.h -rw-r--r-- root/root 1883 2026-07-09 14:44 ./usr/include/rdkit/Query/XOrQuery.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/RDBoost/ -rw-r--r-- root/root 2216 2026-07-09 14:44 ./usr/include/rdkit/RDBoost/PySequenceHolder.h -rw-r--r-- root/root 12067 2026-07-09 14:44 ./usr/include/rdkit/RDBoost/Wrap.h -rw-r--r-- root/root 342 2026-07-09 14:44 ./usr/include/rdkit/RDBoost/boost_numpy.h -rw-r--r-- root/root 5719 2026-07-09 14:44 ./usr/include/rdkit/RDBoost/list_indexing_suite.hpp -rw-r--r-- root/root 212 2026-07-09 14:44 ./usr/include/rdkit/RDBoost/pyint_api.h -rw-r--r-- root/root 329 2026-07-09 14:44 ./usr/include/rdkit/RDBoost/python.h -rw-r--r-- root/root 18851 2026-07-09 14:44 ./usr/include/rdkit/RDBoost/python_streambuf.h drwxr-xr-x root/root 0 2026-07-28 22:09 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-rw-r--r-- root/root 67566 2026-07-28 22:09 ./usr/include/rdkit/RDGeneral/enum.h -rw-r--r-- root/root 19512 2026-07-28 22:09 ./usr/include/rdkit/RDGeneral/export.h -rw-r--r-- root/root 4318 2026-07-09 14:44 ./usr/include/rdkit/RDGeneral/hanoiSort.h drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/RDGeneral/hash/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/include/rdkit/RDGeneral/hash/detail/ -rw-r--r-- root/root 4451 2026-07-09 14:44 ./usr/include/rdkit/RDGeneral/hash/detail/float_functions.hpp -rw-r--r-- root/root 4929 2026-07-09 14:44 ./usr/include/rdkit/RDGeneral/hash/detail/hash_float.hpp -rw-r--r-- root/root 4138 2026-07-09 14:44 ./usr/include/rdkit/RDGeneral/hash/extensions.hpp -rw-r--r-- root/root 15699 2026-07-09 14:44 ./usr/include/rdkit/RDGeneral/hash/hash.hpp -rw-r--r-- root/root 1240 2026-07-09 14:44 ./usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp -rw-r--r-- root/root 5918 2026-07-28 22:09 ./usr/include/rdkit/RDGeneral/test.h -rw-r--r-- root/root 14686 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root/root 0 2026-07-28 22:09 ./usr/lib/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/cmake/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/cmake/rdkit/ -rw-r--r-- root/root 1865 2026-07-28 22:09 ./usr/lib/cmake/rdkit/rdkit-config-version.cmake -rw-r--r-- root/root 1560 2026-07-28 22:09 ./usr/lib/cmake/rdkit/rdkit-config.cmake -rw-r--r-- root/root 34167 2026-07-28 22:09 ./usr/lib/cmake/rdkit/rdkit-targets-none.cmake -rw-r--r-- root/root 23859 2026-07-28 22:09 ./usr/lib/cmake/rdkit/rdkit-targets.cmake drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/cmake/rdkitpython/ -rw-r--r-- root/root 1865 2026-07-28 22:09 ./usr/lib/cmake/rdkitpython/rdkitpython-config-version.cmake -rw-r--r-- root/root 336 2026-07-28 22:09 ./usr/lib/cmake/rdkitpython/rdkitpython-config.cmake -rw-r--r-- root/root 865 2026-07-28 22:09 ./usr/lib/cmake/rdkitpython/rdkitpython-targets-none.cmake -rw-r--r-- root/root 5680 2026-07-28 22:09 ./usr/lib/cmake/rdkitpython/rdkitpython-targets.cmake lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitAbbreviations.so -> libRDKitAbbreviations.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitAlignment.so -> libRDKitAlignment.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitCIPLabeler.so -> libRDKitCIPLabeler.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitCatalogs.so -> libRDKitCatalogs.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitChemReactions.so -> libRDKitChemReactions.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitChemTransforms.so -> libRDKitChemTransforms.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitChemicalFeatures.so -> libRDKitChemicalFeatures.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitDataStructs.so -> libRDKitDataStructs.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitDepictor.so -> libRDKitDepictor.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitDeprotect.so -> libRDKitDeprotect.so.1 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root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMarvinParser.so -> libRDKitMarvinParser.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolAlign.so -> libRDKitMolAlign.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolCatalog.so -> libRDKitMolCatalog.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolChemicalFeatures.so -> libRDKitMolChemicalFeatures.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolDraw2D.so -> libRDKitMolDraw2D.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolEnumerator.so -> libRDKitMolEnumerator.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolHash.so -> libRDKitMolHash.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolInteractionFields.so -> libRDKitMolInteractionFields.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolInterchange.so -> libRDKitMolInterchange.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolProcessing.so -> libRDKitMolProcessing.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolStandardize.so -> libRDKitMolStandardize.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolTransforms.so -> libRDKitMolTransforms.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitO3AAlign.so -> libRDKitO3AAlign.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitOptimizer.so -> libRDKitOptimizer.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitPartialCharges.so -> libRDKitPartialCharges.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRDBoost.so -> libRDKitRDBoost.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRDGeneral.so -> libRDKitRDGeneral.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRDGeometryLib.so -> libRDKitRDGeometryLib.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRDInchiLib.so -> libRDKitRDInchiLib.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRDStreams.so -> libRDKitRDStreams.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRGroupDecomposition.so -> libRDKitRGroupDecomposition.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRascalMCES.so -> libRDKitRascalMCES.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitReducedGraphs.so -> libRDKitReducedGraphs.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitSLNParse.so -> libRDKitSLNParse.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitScaffoldNetwork.so -> libRDKitScaffoldNetwork.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitShapeHelpers.so -> libRDKitShapeHelpers.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitSimDivPickers.so -> libRDKitSimDivPickers.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitSmilesParse.so -> libRDKitSmilesParse.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitSubgraphs.so -> libRDKitSubgraphs.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitSubstructLibrary.so -> libRDKitSubstructLibrary.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitSubstructMatch.so -> libRDKitSubstructMatch.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitSynthonSpaceSearch.so -> libRDKitSynthonSpaceSearch.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitTautomerQuery.so -> libRDKitTautomerQuery.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitTrajectory.so -> libRDKitTrajectory.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitga.so -> libRDKitga.so.1 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKithc.so -> libRDKithc.so.1 drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/doc/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/doc/librdkit-dev/ -rw-r--r-- root/root 3111 2026-07-28 22:09 ./usr/share/doc/librdkit-dev/changelog.Debian.gz -rw-r--r-- root/root 141652 2026-07-09 14:44 ./usr/share/doc/librdkit-dev/changelog.gz -rw-r--r-- root/root 64692 2026-07-28 22:09 ./usr/share/doc/librdkit-dev/copyright librdkit1t64-dbgsym_202603.4-1_amd64.deb ---------------------------------------- new Debian package, version 2.0. size 137261120 bytes: control archive=3508 bytes. 2998 bytes, 12 lines control 6979 bytes, 66 lines md5sums Package: librdkit1t64-dbgsym Source: rdkit Version: 202603.4-1 Auto-Built-Package: debug-symbols Architecture: amd64 Maintainer: Debichem Team Installed-Size: 139915 Depends: librdkit1t64 (= 202603.4-1) Section: debug Priority: optional Description: debug symbols for librdkit1t64 Build-Ids: 0656a28b373174549eb6024fa94c9eaece3929bd 0de97f8e6437b8f9997d16945547a63410fb749e 0edb420ad0960e2108fde1bac56aacf5a53372dd 11a01f9b802ac9c084ecdbcd6ea69371493366b3 11aa1c37b645780b78d7e1719a76b16cccb2fba5 12c67a1875921ff4c5502adf4b71a5810e5ba46d 1b6d320735b6649c530da34d0efff2705299ec3d 1ec3a0380bf5ce1a81965f05551108512c197512 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lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/share/doc/librdkit1t64-dbgsym -> librdkit1t64 librdkit1t64_202603.4-1_amd64.deb --------------------------------- new Debian package, version 2.0. size 6559376 bytes: control archive=3588 bytes. 1921 bytes, 40 lines control 5350 bytes, 69 lines md5sums 3229 bytes, 65 lines shlibs 65 bytes, 2 lines triggers Package: librdkit1t64 Source: rdkit Version: 202603.4-1 Architecture: amd64 Maintainer: Debichem Team Installed-Size: 27214 Depends: libboost-iostreams1.90.0 (>= 1.90.0), libboost-python1.90.0 (>= 1.90.0), libboost-python1.90.0-py314, libboost-serialization1.90.0 (>= 1.90.0), libc6 (>= 2.38), libcairo2 (>= 1.4.10), libcoordgen3 (>= 3.0.2), libfreetype6 (>= 2.2.1), libgcc-s1 (>= 3.4), libinchi1.07 (>= 1.07.3+dfsg), libmaeparser1 (>= 1.3.3), libstdc++6 (>= 14) Breaks: coot (<< 1.1.15+dfsg-1), librdkit1 (<< 202603.4-1) Replaces: librdkit1 Provides: librdkit1 (= 202603.4-1) 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. . This package contains the shared libraries. drwxr-xr-x root/root 0 2026-07-28 22:09 ./ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/ lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitAbbreviations.so.1 -> libRDKitAbbreviations.so.1.2026.03.4 -rw-r--r-- root/root 162000 2026-07-28 22:09 ./usr/lib/libRDKitAbbreviations.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitAlignment.so.1 -> libRDKitAlignment.so.1.2026.03.4 -rw-r--r-- root/root 34976 2026-07-28 22:09 ./usr/lib/libRDKitAlignment.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitCIPLabeler.so.1 -> libRDKitCIPLabeler.so.1.2026.03.4 -rw-r--r-- root/root 248064 2026-07-28 22:09 ./usr/lib/libRDKitCIPLabeler.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitCatalogs.so.1 -> libRDKitCatalogs.so.1.2026.03.4 -rw-r--r-- root/root 14256 2026-07-28 22:09 ./usr/lib/libRDKitCatalogs.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitChemReactions.so.1 -> libRDKitChemReactions.so.1.2026.03.4 -rw-r--r-- root/root 1166032 2026-07-28 22:09 ./usr/lib/libRDKitChemReactions.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitChemTransforms.so.1 -> libRDKitChemTransforms.so.1.2026.03.4 -rw-r--r-- root/root 506160 2026-07-28 22:09 ./usr/lib/libRDKitChemTransforms.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitChemicalFeatures.so.1 -> libRDKitChemicalFeatures.so.1.2026.03.4 -rw-r--r-- root/root 22616 2026-07-28 22:09 ./usr/lib/libRDKitChemicalFeatures.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitDataStructs.so.1 -> libRDKitDataStructs.so.1.2026.03.4 -rw-r--r-- root/root 288992 2026-07-28 22:09 ./usr/lib/libRDKitDataStructs.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitDepictor.so.1 -> libRDKitDepictor.so.1.2026.03.4 -rw-r--r-- root/root 919784 2026-07-28 22:09 ./usr/lib/libRDKitDepictor.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitDeprotect.so.1 -> libRDKitDeprotect.so.1.2026.03.4 -rw-r--r-- root/root 80040 2026-07-28 22:09 ./usr/lib/libRDKitDeprotect.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitDescriptors.so.1 -> libRDKitDescriptors.so.1.2026.03.4 -rw-r--r-- root/root 959280 2026-07-28 22:09 ./usr/lib/libRDKitDescriptors.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitDetermineBonds.so.1 -> libRDKitDetermineBonds.so.1.2026.03.4 -rw-r--r-- root/root 145568 2026-07-28 22:09 ./usr/lib/libRDKitDetermineBonds.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitDistGeomHelpers.so.1 -> libRDKitDistGeomHelpers.so.1.2026.03.4 -rw-r--r-- root/root 442048 2026-07-28 22:09 ./usr/lib/libRDKitDistGeomHelpers.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitDistGeometry.so.1 -> libRDKitDistGeometry.so.1.2026.03.4 -rw-r--r-- root/root 174240 2026-07-28 22:09 ./usr/lib/libRDKitDistGeometry.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitEigenSolvers.so.1 -> libRDKitEigenSolvers.so.1.2026.03.4 -rw-r--r-- root/root 26784 2026-07-28 22:09 ./usr/lib/libRDKitEigenSolvers.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitEnumerateStereoisomers.so.1 -> libRDKitEnumerateStereoisomers.so.1.2026.03.4 -rw-r--r-- root/root 84136 2026-07-28 22:09 ./usr/lib/libRDKitEnumerateStereoisomers.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitFMCS.so.1 -> libRDKitFMCS.so.1.2026.03.4 -rw-r--r-- root/root 362656 2026-07-28 22:09 ./usr/lib/libRDKitFMCS.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitFileParsers.so.1 -> libRDKitFileParsers.so.1.2026.03.4 -rw-r--r-- root/root 2470576 2026-07-28 22:09 ./usr/lib/libRDKitFileParsers.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitFilterCatalog.so.1 -> libRDKitFilterCatalog.so.1.2026.03.4 -rw-r--r-- root/root 1128688 2026-07-28 22:09 ./usr/lib/libRDKitFilterCatalog.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitFingerprints.so.1 -> libRDKitFingerprints.so.1.2026.03.4 -rw-r--r-- root/root 892208 2026-07-28 22:09 ./usr/lib/libRDKitFingerprints.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitForceField.so.1 -> libRDKitForceField.so.1.2026.03.4 -rw-r--r-- root/root 743592 2026-07-28 22:09 ./usr/lib/libRDKitForceField.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitForceFieldHelpers.so.1 -> libRDKitForceFieldHelpers.so.1.2026.03.4 -rw-r--r-- root/root 538808 2026-07-28 22:09 ./usr/lib/libRDKitForceFieldHelpers.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitFragCatalog.so.1 -> libRDKitFragCatalog.so.1.2026.03.4 -rw-r--r-- root/root 239784 2026-07-28 22:09 ./usr/lib/libRDKitFragCatalog.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitGaussianShape.so.1 -> libRDKitGaussianShape.so.1.2026.03.4 -rw-r--r-- root/root 608432 2026-07-28 22:09 ./usr/lib/libRDKitGaussianShape.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitGeneralizedSubstruct.so.1 -> libRDKitGeneralizedSubstruct.so.1.2026.03.4 -rw-r--r-- root/root 284960 2026-07-28 22:09 ./usr/lib/libRDKitGeneralizedSubstruct.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitGenericGroups.so.1 -> libRDKitGenericGroups.so.1.2026.03.4 -rw-r--r-- root/root 166064 2026-07-28 22:09 ./usr/lib/libRDKitGenericGroups.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitGraphMol.so.1 -> libRDKitGraphMol.so.1.2026.03.4 -rw-r--r-- root/root 2488552 2026-07-28 22:09 ./usr/lib/libRDKitGraphMol.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitInfoTheory.so.1 -> libRDKitInfoTheory.so.1.2026.03.4 -rw-r--r-- root/root 47264 2026-07-28 22:09 ./usr/lib/libRDKitInfoTheory.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMMPA.so.1 -> libRDKitMMPA.so.1.2026.03.4 -rw-r--r-- root/root 96424 2026-07-28 22:09 ./usr/lib/libRDKitMMPA.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMarvinParser.so.1 -> libRDKitMarvinParser.so.1.2026.03.4 -rw-r--r-- root/root 776400 2026-07-28 22:09 ./usr/lib/libRDKitMarvinParser.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolAlign.so.1 -> libRDKitMolAlign.so.1.2026.03.4 -rw-r--r-- root/root 190664 2026-07-28 22:09 ./usr/lib/libRDKitMolAlign.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolCatalog.so.1 -> libRDKitMolCatalog.so.1.2026.03.4 -rw-r--r-- root/root 51360 2026-07-28 22:09 ./usr/lib/libRDKitMolCatalog.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolChemicalFeatures.so.1 -> libRDKitMolChemicalFeatures.so.1.2026.03.4 -rw-r--r-- root/root 161976 2026-07-28 22:09 ./usr/lib/libRDKitMolChemicalFeatures.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolDraw2D.so.1 -> libRDKitMolDraw2D.so.1.2026.03.4 -rw-r--r-- root/root 1322088 2026-07-28 22:09 ./usr/lib/libRDKitMolDraw2D.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolEnumerator.so.1 -> libRDKitMolEnumerator.so.1.2026.03.4 -rw-r--r-- root/root 371056 2026-07-28 22:09 ./usr/lib/libRDKitMolEnumerator.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolHash.so.1 -> libRDKitMolHash.so.1.2026.03.4 -rw-r--r-- root/root 117168 2026-07-28 22:09 ./usr/lib/libRDKitMolHash.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolInteractionFields.so.1 -> libRDKitMolInteractionFields.so.1.2026.03.4 -rw-r--r-- root/root 161968 2026-07-28 22:09 ./usr/lib/libRDKitMolInteractionFields.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolInterchange.so.1 -> libRDKitMolInterchange.so.1.2026.03.4 -rw-r--r-- root/root 940528 2026-07-28 22:09 ./usr/lib/libRDKitMolInterchange.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolProcessing.so.1 -> libRDKitMolProcessing.so.1.2026.03.4 -rw-r--r-- root/root 59680 2026-07-28 22:09 ./usr/lib/libRDKitMolProcessing.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolStandardize.so.1 -> libRDKitMolStandardize.so.1.2026.03.4 -rw-r--r-- root/root 1187160 2026-07-28 22:09 ./usr/lib/libRDKitMolStandardize.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitMolTransforms.so.1 -> libRDKitMolTransforms.so.1.2026.03.4 -rw-r--r-- root/root 129184 2026-07-28 22:09 ./usr/lib/libRDKitMolTransforms.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitO3AAlign.so.1 -> libRDKitO3AAlign.so.1.2026.03.4 -rw-r--r-- root/root 190640 2026-07-28 22:09 ./usr/lib/libRDKitO3AAlign.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitOptimizer.so.1 -> libRDKitOptimizer.so.1.2026.03.4 -rw-r--r-- root/root 14112 2026-07-28 22:09 ./usr/lib/libRDKitOptimizer.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitPartialCharges.so.1 -> libRDKitPartialCharges.so.1.2026.03.4 -rw-r--r-- root/root 84128 2026-07-28 22:09 ./usr/lib/libRDKitPartialCharges.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRDBoost.so.1 -> libRDKitRDBoost.so.1.2026.03.4 -rw-r--r-- root/root 47264 2026-07-28 22:09 ./usr/lib/libRDKitRDBoost.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRDGeneral.so.1 -> libRDKitRDGeneral.so.1.2026.03.4 -rw-r--r-- root/root 153776 2026-07-28 22:09 ./usr/lib/libRDKitRDGeneral.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRDGeometryLib.so.1 -> libRDKitRDGeometryLib.so.1.2026.03.4 -rw-r--r-- root/root 145576 2026-07-28 22:09 ./usr/lib/libRDKitRDGeometryLib.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRDInchiLib.so.1 -> libRDKitRDInchiLib.so.1.2026.03.4 -rw-r--r-- root/root 116904 2026-07-28 22:09 ./usr/lib/libRDKitRDInchiLib.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRDStreams.so.1 -> libRDKitRDStreams.so.1.2026.03.4 -rw-r--r-- root/root 108712 2026-07-28 22:09 ./usr/lib/libRDKitRDStreams.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRGroupDecomposition.so.1 -> libRDKitRGroupDecomposition.so.1.2026.03.4 -rw-r--r-- root/root 1004048 2026-07-28 22:09 ./usr/lib/libRDKitRGroupDecomposition.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitRascalMCES.so.1 -> libRDKitRascalMCES.so.1.2026.03.4 -rw-r--r-- root/root 539856 2026-07-28 22:09 ./usr/lib/libRDKitRascalMCES.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitReducedGraphs.so.1 -> libRDKitReducedGraphs.so.1.2026.03.4 -rw-r--r-- root/root 80096 2026-07-28 22:09 ./usr/lib/libRDKitReducedGraphs.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 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root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitSubgraphs.so.1 -> libRDKitSubgraphs.so.1.2026.03.4 -rw-r--r-- root/root 80032 2026-07-28 22:09 ./usr/lib/libRDKitSubgraphs.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitSubstructLibrary.so.1 -> libRDKitSubstructLibrary.so.1.2026.03.4 -rw-r--r-- root/root 952784 2026-07-28 22:09 ./usr/lib/libRDKitSubstructLibrary.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitSubstructMatch.so.1 -> libRDKitSubstructMatch.so.1.2026.03.4 -rw-r--r-- root/root 383160 2026-07-28 22:09 ./usr/lib/libRDKitSubstructMatch.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitSynthonSpaceSearch.so.1 -> libRDKitSynthonSpaceSearch.so.1.2026.03.4 -rw-r--r-- root/root 832784 2026-07-28 22:09 ./usr/lib/libRDKitSynthonSpaceSearch.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitTautomerQuery.so.1 -> libRDKitTautomerQuery.so.1.2026.03.4 -rw-r--r-- root/root 190776 2026-07-28 22:09 ./usr/lib/libRDKitTautomerQuery.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitTrajectory.so.1 -> libRDKitTrajectory.so.1.2026.03.4 -rw-r--r-- root/root 84200 2026-07-28 22:09 ./usr/lib/libRDKitTrajectory.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKitga.so.1 -> libRDKitga.so.1.2026.03.4 -rw-r--r-- root/root 30880 2026-07-28 22:09 ./usr/lib/libRDKitga.so.1.2026.03.4 lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/lib/libRDKithc.so.1 -> libRDKithc.so.1.2026.03.4 -rw-r--r-- root/root 14328 2026-07-28 22:09 ./usr/lib/libRDKithc.so.1.2026.03.4 drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/doc/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/doc/librdkit1t64/ -rw-r--r-- root/root 3111 2026-07-28 22:09 ./usr/share/doc/librdkit1t64/changelog.Debian.gz -rw-r--r-- root/root 141652 2026-07-09 14:44 ./usr/share/doc/librdkit1t64/changelog.gz -rw-r--r-- root/root 64692 2026-07-28 22:09 ./usr/share/doc/librdkit1t64/copyright drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/lintian/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/lintian/overrides/ -rw-r--r-- root/root 495 2026-07-28 22:09 ./usr/share/lintian/overrides/librdkit1t64 postgresql-18-rdkit-dbgsym_202603.4-1_amd64.deb ----------------------------------------------- new Debian package, version 2.0. size 1259108 bytes: control archive=544 bytes. 393 bytes, 12 lines control 106 bytes, 1 lines md5sums Package: postgresql-18-rdkit-dbgsym Source: rdkit Version: 202603.4-1 Auto-Built-Package: debug-symbols Architecture: amd64 Maintainer: Debichem Team Installed-Size: 1317 Depends: postgresql-18-rdkit (= 202603.4-1) Section: debug Priority: optional Description: debug symbols for postgresql-18-rdkit Build-Ids: 1460dd459e7f860ad39d46d13aa94ad41a034cc3 drwxr-xr-x root/root 0 2026-07-28 22:09 ./ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/debug/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/debug/.build-id/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/debug/.build-id/14/ -rw-r--r-- root/root 1338056 2026-07-28 22:09 ./usr/lib/debug/.build-id/14/60dd459e7f860ad39d46d13aa94ad41a034cc3.debug drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/doc/ lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/share/doc/postgresql-18-rdkit-dbgsym -> postgresql-18-rdkit postgresql-18-rdkit_202603.4-1_amd64.deb ---------------------------------------- new Debian package, version 2.0. size 269088 bytes: control archive=1604 bytes. 1581 bytes, 37 lines control 1573 bytes, 18 lines md5sums Package: postgresql-18-rdkit Source: rdkit Version: 202603.4-1 Architecture: amd64 Maintainer: Debichem Team Installed-Size: 635 Depends: libc6 (>= 2.14), libgcc-s1 (>= 3.0), librdkit1t64 (>= 202603.4), 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. . This package contains the PostgreSQL extension. drwxr-xr-x root/root 0 2026-07-28 22:09 ./ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/postgresql/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/postgresql/18/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/postgresql/18/lib/ -rw-r--r-- root/root 339264 2026-07-28 22:09 ./usr/lib/postgresql/18/lib/rdkit.so drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/doc/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/doc/postgresql-18-rdkit/ -rw-r--r-- root/root 3114 2026-07-28 22:09 ./usr/share/doc/postgresql-18-rdkit/changelog.Debian.gz -rw-r--r-- root/root 141652 2026-07-09 14:44 ./usr/share/doc/postgresql-18-rdkit/changelog.gz -rw-r--r-- root/root 64692 2026-07-28 22:09 ./usr/share/doc/postgresql-18-rdkit/copyright drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/postgresql/ 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./usr/share/postgresql/18/extension/rdkit--4.5.0--4.6.0.sql -rw-r--r-- root/root 454 2026-07-28 22:09 ./usr/share/postgresql/18/extension/rdkit--4.6.0--4.6.1.sql -rw-r--r-- root/root 527 2026-07-28 22:09 ./usr/share/postgresql/18/extension/rdkit--4.6.1--4.7.0.sql -rw-r--r-- root/root 11769 2026-07-28 22:09 ./usr/share/postgresql/18/extension/rdkit--4.7.0--4.8.0.sql -rw-r--r-- root/root 53074 2026-07-28 22:09 ./usr/share/postgresql/18/extension/rdkit--4.8.0.sql -rw-r--r-- root/root 137 2026-07-28 22:09 ./usr/share/postgresql/18/extension/rdkit.control python3-rdkit-dbgsym_202603.4-1_amd64.deb ----------------------------------------- new Debian package, version 2.0. size 68391824 bytes: control archive=3204 bytes. 2713 bytes, 12 lines control 6238 bytes, 59 lines md5sums Package: python3-rdkit-dbgsym Source: rdkit Version: 202603.4-1 Auto-Built-Package: debug-symbols Architecture: amd64 Maintainer: Debichem Team Installed-Size: 78307 Depends: python3-rdkit (= 202603.4-1) Section: debug 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1961248 2026-07-28 22:09 ./usr/lib/debug/.dwz/x86_64-linux-gnu/python3-rdkit.debug drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/share/doc/ lrwxrwxrwx root/root 0 2026-07-28 22:09 ./usr/share/doc/python3-rdkit-dbgsym -> python3-rdkit python3-rdkit_202603.4-1_amd64.deb ---------------------------------- new Debian package, version 2.0. size 5037112 bytes: control archive=11568 bytes. 1872 bytes, 36 lines control 40851 bytes, 407 lines md5sums 281 bytes, 12 lines * postinst #!/bin/sh 419 bytes, 12 lines * prerm #!/bin/sh Package: python3-rdkit Source: rdkit Version: 202603.4-1 Architecture: amd64 Maintainer: Debichem Team Installed-Size: 29777 Depends: fonts-freefont-ttf, rdkit-data, python3-numpy2-abi0 | python3-numpy-abi9, python3 (<< 3.15), python3 (>= 3.14~), python3:any, libboost-numpy1.90.0 (>= 1.90.0), libboost-numpy1.90.0-py314, libboost-python1.90.0 (>= 1.90.0), libboost-python1.90.0-py314, libboost-serialization1.90.0 (>= 1.90.0), libc6 (>= 2.34), libcairo2 (>= 1.4.10), libcoordgen3 (>= 3.0.2), libgcc-s1 (>= 3.0), librdkit1t64 (>= 202603.4), 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 2026-07-28 22:09 ./ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/python3/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/python3/dist-packages/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/python3/dist-packages/rdkit/ drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/python3/dist-packages/rdkit/Avalon/ -rw-r--r-- root/root 0 2026-07-09 14:44 ./usr/lib/python3/dist-packages/rdkit/Avalon/__init__.py drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/python3/dist-packages/rdkit/Chem/ -rw-r--r-- root/root 17005 2026-07-09 14:44 ./usr/lib/python3/dist-packages/rdkit/Chem/AllChem.py drwxr-xr-x root/root 0 2026-07-28 22:09 ./usr/lib/python3/dist-packages/rdkit/Chem/AtomPairs/ -rw-r--r-- root/root 5702 2026-07-09 14:44 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Purging /build/reproducible-path Not cleaning session: cloned chroot in use +------------------------------------------------------------------------------+ | Summary Mon, 03 Aug 2026 07:09:40 +0000 | +------------------------------------------------------------------------------+ Build Architecture: amd64 Build Type: any Build-Space: 6753272 Build-Time: 2077 Distribution: unstable Host Architecture: amd64 Install-Time: 8 Job: /srv/rebuilderd/tmp/rebuilderdjDHESL/inputs/rdkit_202603.4-1.dsc Machine Architecture: amd64 Package: rdkit Package-Time: 2102 Source-Version: 202603.4-1 Space: 6753272 Status: successful Version: 202603.4-1 -------------------------------------------------------------------------------- Finished at 2026-08-03T07:09:30Z Build needed 00:35:02, 6753272k disk space build artifacts stored in /srv/rebuilderd/tmp/rebuilderdjDHESL/out checking librdkit-dev_202603.4-1_amd64.deb: size... sha1... sha256... md5... all OK checking librdkit1t64-dbgsym_202603.4-1_amd64.deb: size differs for librdkit1t64-dbgsym_202603.4-1_amd64.deb