Wed Dec 18 07:19:33 UTC 2024 I: starting to build rdkit/unstable/arm64 on jenkins on '2024-12-18 07:19' Wed Dec 18 07:19:33 UTC 2024 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/arm64_21/45274/console.log Wed Dec 18 07:19:33 UTC 2024 I: Downloading source for unstable/rdkit=202409.2-2 --2024-12-18 07:19:34-- http://deb.debian.org/debian/pool/main/r/rdkit/rdkit_202409.2-2.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 3000 (2.9K) [text/prs.lines.tag] Saving to: ‘rdkit_202409.2-2.dsc’ 0K .. 100% 400M=0s 2024-12-18 07:19:34 (400 MB/s) - ‘rdkit_202409.2-2.dsc’ saved [3000/3000] Wed Dec 18 07:19:34 UTC 2024 I: rdkit_202409.2-2.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA256 Format: 3.0 (quilt) Source: rdkit Binary: python3-rdkit, rdkit-doc, rdkit-data, librdkit1t64, librdkit-dev, postgresql-17-rdkit Architecture: any all Version: 202409.2-2 Maintainer: Debichem Team Uploaders: Michael Banck , Andrius Merkys Homepage: http://www.rdkit.org Standards-Version: 4.6.2 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, make Build-Depends: bison, catch2, cmake, 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-system-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, 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-17-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: 7071422f42cc0c9d12e11d4e45bce49d60b68b7b 62272108 rdkit_202409.2.orig.tar.xz 71e8c8b661936293d012d907de6dafbf2d01b334 39312 rdkit_202409.2-2.debian.tar.xz Checksums-Sha256: 108bb2e5dfedf971a3147a9cfe430e0edf0a686d7825e3c680dc9fe42855924a 62272108 rdkit_202409.2.orig.tar.xz 061fb4bd4ed164b8b007335ef13068d56ebdf757cdd59b4f41e7e1726e150bf8 39312 rdkit_202409.2-2.debian.tar.xz Files: edb6d2cee84cb285a8a6388c36fc3411 62272108 rdkit_202409.2.orig.tar.xz 5c40a5c042fb53196ac92facfb259ab5 39312 rdkit_202409.2-2.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQIzBAEBCAAdFiEEnKh3dJ+rLk+paGLs3GhqJ7Q0gbAFAmdHbtEACgkQ3GhqJ7Q0 gbCFyw/+ObwozPD6Bv/D7FkESB89fow4lJeonmLFg80d4OV3NIInKcM5pl1+vC0K +zfz5a5SqPe2eYXAjzzQ0dm5jL4v+0n0ngeSb8Zut62LUPu+Wm6Y+eQAJspxGJdR rwM+ruzIj4A8fN3SVD/Cqr+Lg2t1dMWQnkTIWdIUIbyno2qTE74yRwVM041HFLqA 0yDe5wnM4Gu09EhLiFVAG75SLH8wi89bZ/fZDrCWnjMzeR+0YnFkgpjeE8O6PSoU UGlNXZSVM3aQovW5OPcG0QCzvjsQTgPSjVgeNPQUus31Jv94eW0pmCo7YqDjOTuI 7w8GTBBXg9FzlH873VFTRRH+GOi6UIkHPSyZOmcI/n6JtGsYw1x3THa0SBQKJqYE 4u6lOrAOMkgauu4GKCmjkXEOtIVPQu6ppVtyay/fFhyzQLv+Xcz2AyVTij9THiED x6LJIFhtEUbSSaHAuwiISDKypaIimqPDLZJvVvKF+sdc9y3zbJOfW2tL8yF6Q/5x YIS5y2X7ReEQrb1Jxze/SOFxvxdE19H6mw453A2OJWp3txGkgQXI0tdqywT5zQfv e2GoopT/KqOCxkKguXy05g2wsTgDl3WoIKqxlGTExZRbdKQig7jhIgpRFtsroug/ LENZBNk2a64WEptaDYBPFNje5x378/KJ8F0agGhIUFGhcHRJgZg= =ghIi -----END PGP SIGNATURE----- Wed Dec 18 07:19:34 UTC 2024 I: Checking whether the package is not for us Wed Dec 18 07:19:34 UTC 2024 I: Starting 1st build on remote node codethink03-arm64.debian.net. Wed Dec 18 07:19:34 UTC 2024 I: Preparing to do remote build '1' on codethink03-arm64.debian.net. Wed Dec 18 08:10:51 UTC 2024 I: Deleting $TMPDIR on codethink03-arm64.debian.net. W: cgroups are not available on the host, not using them. I: pbuilder: network access will be disabled during build I: Current time: Tue Jan 20 01:42:37 -12 2026 I: pbuilder-time-stamp: 1768916557 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [rdkit_202409.2-2.dsc] I: copying [./rdkit_202409.2.orig.tar.xz] I: copying [./rdkit_202409.2-2.debian.tar.xz] I: Extracting source gpgv: Signature made Wed Nov 27 19:11:13 2024 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./rdkit_202409.2-2.dsc: no acceptable signature found dpkg-source: info: extracting rdkit in rdkit-202409.2 dpkg-source: info: unpacking rdkit_202409.2.orig.tar.xz dpkg-source: info: unpacking rdkit_202409.2-2.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 I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/2847219/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='arm64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' DISTRIBUTION='unstable' HOME='/root' HOST_ARCH='arm64' IFS=' ' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='2847219' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.4CF0AfE2/pbuilderrc_7ltD --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.4CF0AfE2/b1 --logfile b1/build.log rdkit_202409.2-2.dsc' SUDO_GID='109' SUDO_UID='104' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/sbin/chroot' http_proxy='http://192.168.101.4:3128' I: uname -a Linux codethink03-arm64 6.1.0-28-cloud-arm64 #1 SMP Debian 6.1.119-1 (2024-11-22) aarch64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin I: user script /srv/workspace/pbuilder/2847219/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: arm64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: bison, catch2, cmake, 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-system-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, 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 dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 20085 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on bison; however: Package bison is not installed. pbuilder-satisfydepends-dummy depends on catch2; however: Package catch2 is not installed. pbuilder-satisfydepends-dummy depends on cmake; however: Package cmake is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on dh-python; however: Package dh-python is not installed. pbuilder-satisfydepends-dummy depends on doxygen; however: Package doxygen is not installed. pbuilder-satisfydepends-dummy depends on flex; however: Package flex is not installed. pbuilder-satisfydepends-dummy depends on imagemagick; however: Package imagemagick is not installed. pbuilder-satisfydepends-dummy depends on latexmk; however: Package latexmk is not installed. pbuilder-satisfydepends-dummy depends on libboost-dev; however: Package libboost-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-iostreams-dev; however: Package libboost-iostreams-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-numpy-dev; however: Package libboost-numpy-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-program-options-dev; however: Package libboost-program-options-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-python-dev; however: Package libboost-python-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-regex-dev; however: Package libboost-regex-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-system-dev; however: Package libboost-system-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-thread-dev; however: Package libboost-thread-dev is not installed. pbuilder-satisfydepends-dummy depends on libcairo2-dev; however: Package libcairo2-dev is not installed. pbuilder-satisfydepends-dummy depends on libcoordgen-dev; however: Package libcoordgen-dev is not installed. pbuilder-satisfydepends-dummy depends on libeigen3-dev; however: Package libeigen3-dev is not installed. pbuilder-satisfydepends-dummy depends on libfreetype-dev; however: Package libfreetype-dev is not installed. pbuilder-satisfydepends-dummy depends on libinchi-dev (>= 1.07.1+dfsg-2); however: Package libinchi-dev is not installed. pbuilder-satisfydepends-dummy depends on libmaeparser-dev; however: Package libmaeparser-dev is not installed. pbuilder-satisfydepends-dummy depends on librsvg2-bin; however: Package librsvg2-bin is not installed. pbuilder-satisfydepends-dummy depends on libsqlite3-dev; however: Package libsqlite3-dev is not installed. pbuilder-satisfydepends-dummy depends on pandoc; however: Package pandoc is not installed. pbuilder-satisfydepends-dummy depends on postgresql-server-dev-all; however: Package postgresql-server-dev-all is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-myst-parser; however: Package python3-myst-parser is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-pandas; however: Package python3-pandas is not installed. pbuilder-satisfydepends-dummy depends on python3-pil | python3-imaging; however: Package python3-pil is not installed. Package python3-imaging is not installed. pbuilder-satisfydepends-dummy depends on python3-pytest; however: Package python3-pytest is not installed. pbuilder-satisfydepends-dummy depends on python3-recommonmark; however: Package python3-recommonmark is not installed. pbuilder-satisfydepends-dummy depends on python3-sphinx; however: Package python3-sphinx is not installed. pbuilder-satisfydepends-dummy depends on python3-sqlalchemy; however: Package python3-sqlalchemy is not installed. pbuilder-satisfydepends-dummy depends on rapidjson-dev; however: Package rapidjson-dev is not installed. pbuilder-satisfydepends-dummy depends on tex-gyre; however: Package tex-gyre is not installed. pbuilder-satisfydepends-dummy depends on texlive-fonts-recommended; however: Package texlive-fonts-recommended is not installed. pbuilder-satisfydepends-dummy depends on texlive-latex-base; however: Package texlive-latex-base is not installed. pbuilder-satisfydepends-dummy depends on texlive-latex-extra; however: Package texlive-latex-extra is not installed. pbuilder-satisfydepends-dummy depends on texlive-latex-recommended; however: Package texlive-latex-recommended is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bison{a} bsdextrautils{a} ca-certificates{a} catch2{a} clang-19{a} cmake{a} cmake-data{a} debhelper{a} dh-autoreconf{a} dh-python{a} dh-strip-nondeterminism{a} docutils-common{a} doxygen{a} dwz{a} file{a} flex{a} fontconfig{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lmodern{a} gettext{a} gettext-base{a} girepository-tools{a} groff-base{a} hicolor-icon-theme{a} icu-devtools{a} imagemagick{a} imagemagick-7-common{a} imagemagick-7.q16{a} intltool-debian{a} latexmk{a} libapache-pom-java{a} libarchive-zip-perl{a} libarchive13t64{a} libblas3{a} libblkid-dev{a} libboost-atomic1.83-dev{a} libboost-atomic1.83.0{a} libboost-chrono1.83-dev{a} libboost-chrono1.83.0t64{a} libboost-date-time1.83-dev{a} libboost-date-time1.83.0{a} libboost-dev{a} libboost-iostreams-dev{a} libboost-iostreams1.83-dev{a} libboost-numpy-dev{a} libboost-numpy1.83-dev{a} libboost-numpy1.83.0{a} libboost-program-options-dev{a} libboost-program-options1.83-dev{a} libboost-program-options1.83.0{a} libboost-python-dev{a} libboost-python1.83-dev{a} libboost-python1.83.0{a} libboost-regex-dev{a} libboost-regex1.83-dev{a} libboost-regex1.83.0{a} libboost-serialization1.83-dev{a} libboost-serialization1.83.0{a} libboost-system-dev{a} libboost-system1.83-dev{a} libboost-system1.83.0{a} libboost-thread-dev{a} libboost-thread1.83-dev{a} libboost-thread1.83.0{a} libboost1.83-dev{a} libbrotli-dev{a} libbrotli1{a} libbz2-dev{a} libcairo-gobject2{a} libcairo-script-interpreter2{a} libcairo2{a} libcairo2-dev{a} libcatch2-dev{a} libclang-common-19-dev{a} libclang-cpp19{a} libclang1-19{a} libcom-err2{a} libcommons-logging-java{a} libcommons-parent-java{a} libcoordgen-dev{a} libcoordgen3{a} libcurl4t64{a} libdatrie1{a} libdav1d7{a} libde265-0{a} libdebhelper-perl{a} libdeflate0{a} libedit2{a} libeigen3-dev{a} libelf1t64{a} libexpat1{a} libexpat1-dev{a} libffi-dev{a} libfftw3-double3{a} libfile-stripnondeterminism-perl{a} libfmt10{a} libfontbox-java{a} libfontconfig-dev{a} libfontconfig1{a} libfontenc1{a} libfreetype-dev{a} libfreetype6{a} libfribidi0{a} libgc1{a} libgdk-pixbuf-2.0-0{a} libgdk-pixbuf2.0-common{a} libgfortran5{a} libgio-2.0-dev{a} libgio-2.0-dev-bin{a} libgirepository-2.0-0{a} libglib2.0-0t64{a} libglib2.0-bin{a} libglib2.0-data{a} libglib2.0-dev{a} libglib2.0-dev-bin{a} libgraphite2-3{a} libgssapi-krb5-2{a} libharfbuzz0b{a} libheif-plugin-dav1d{a} libheif-plugin-libde265{a} libheif1{a} libice-dev{a} libice6{a} libicu-dev{a} libicu72{a} libimagequant0{a} libinchi-dev{a} libinchi1.07{a} libio-pty-perl{a} libipc-run-perl{a} libjbig0{a} libjpeg62-turbo{a} libjs-jquery{a} libjs-sphinxdoc{a} libjs-underscore{a} libjson-perl{a} libjsoncpp26{a} libk5crypto3{a} libkeyutils1{a} libkpathsea6{a} libkrb5-3{a} libkrb5support0{a} liblapack3{a} liblcms2-2{a} libldap-2.5-0{a} liblerc4{a} libllvm19{a} liblqr-1-0{a} libltdl7{a} liblua5.4-0{a} liblzo2-2{a} libmaeparser-dev{a} libmaeparser1{a} libmagic-mgc{a} libmagic1t64{a} libmagickcore-7.q16-10{a} libmagickwand-7.q16-10{a} libmount-dev{a} libmpfi0{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnsl2{a} libnuma1{a} libobjc-14-dev{a} libobjc4{a} libopenjp2-7{a} libpango-1.0-0{a} libpangocairo-1.0-0{a} libpangoft2-1.0-0{a} libpaper-utils{a} libpaper1{a} libpcre2-16-0{a} libpcre2-32-0{a} libpcre2-dev{a} libpcre2-posix3{a} libpdfbox-java{a} libpfm4{a} libpipeline1{a} libpixman-1-0{a} libpixman-1-dev{a} libpkgconf3{a} libpng-dev{a} libpng16-16t64{a} libpotrace0{a} libpq-dev{a} libpq5{a} libproc2-0{a} libpsl5t64{a} libptexenc1{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.12-dev{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} libpython3.12t64{a} libraqm0{a} libraw23t64{a} libreadline8t64{a} librhash1{a} librsvg2-2{a} librsvg2-bin{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libselinux1-dev{a} libsepol-dev{a} libsharpyuv0{a} libsm-dev{a} libsm6{a} libsqlite3-dev{a} libssh2-1t64{a} libssl-dev{a} libsynctex2{a} libsysprof-capture-4-dev{a} libteckit0{a} libtexlua53-5{a} libthai-data{a} libthai0{a} libtiff6{a} libtirpc-common{a} libtirpc3t64{a} libtool{a} libuchardet0{a} libuv1t64{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libx11-dev{a} libxau-dev{a} libxau6{a} libxaw7{a} libxcb-render0{a} libxcb-render0-dev{a} libxcb-shm0{a} libxcb-shm0-dev{a} libxcb1{a} libxcb1-dev{a} libxdmcp-dev{a} libxdmcp6{a} libxext-dev{a} libxext6{a} libxi6{a} libxml2{a} libxml2-dev{a} libxmu6{a} libxpm4{a} libxrender-dev{a} libxrender1{a} libxt6t64{a} libyaml-0-2{a} libz3-4{a} libz3-dev{a} libzzip-0-13t64{a} llvm-19{a} llvm-19-dev{a} llvm-19-linker-tools{a} llvm-19-runtime{a} llvm-19-tools{a} m4{a} man-db{a} media-types{a} native-architecture{a} netbase{a} openssl{a} pandoc{a} pandoc-data{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} postgresql-client-17{a} postgresql-client-common{a} postgresql-common{a} postgresql-server-dev-17{a} postgresql-server-dev-all{a} preview-latex-style{a} procps{a} python-babel-localedata{a} python3{a} python3-alabaster{a} python3-autocommand{a} python3-babel{a} python3-certifi{a} python3-chardet{a} python3-charset-normalizer{a} python3-commonmark{a} python3-dateutil{a} python3-defusedxml{a} python3-dev{a} python3-docutils{a} python3-greenlet{a} python3-idna{a} python3-imagesize{a} python3-inflect{a} python3-iniconfig{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-jinja2{a} python3-markdown-it{a} python3-markupsafe{a} python3-mdit-py-plugins{a} python3-mdurl{a} python3-minimal{a} python3-more-itertools{a} python3-myst-parser{a} python3-numpy{a} python3-packaging{a} python3-pandas{a} python3-pandas-lib{a} python3-pil{a} python3-pkg-resources{a} python3-pluggy{a} python3-pygments{a} python3-pytest{a} python3-recommonmark{a} python3-requests{a} python3-roman{a} python3-setuptools{a} python3-snowballstemmer{a} python3-sphinx{a} python3-sqlalchemy{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-urllib3{a} python3-yaml{a} python3-zipp{a} python3.12{a} python3.12-dev{a} python3.12-minimal{a} rapidjson-dev{a} readline-common{a} sensible-utils{a} sgml-base{a} shared-mime-info{a} sphinx-common{a} ssl-cert{a} t1utils{a} tex-common{a} tex-gyre{a} texlive-base{a} texlive-binaries{a} texlive-fonts-recommended{a} texlive-latex-base{a} texlive-latex-extra{a} texlive-latex-recommended{a} texlive-pictures{a} tzdata{a} ucf{a} uuid-dev{a} x11-common{a} x11proto-core-dev{a} x11proto-dev{a} xdg-utils{a} xfonts-encodings{a} xfonts-utils{a} xml-core{a} xorg-sgml-doctools{a} xtrans-dev{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: apvlv atril binfmt-support bzip2-doc curl default-jre dvisvgm e2fsprogs evince fonts-texgyre fonts-texgyre-math fonts-urw-base35 ghostscript gv javascript-common krb5-locales libarchive-cpio-perl libclang-rt-19-dev libfile-mimeinfo-perl libfl-dev libgdk-pixbuf2.0-bin libgpm2 libheif-plugin-aomenc libheif-plugin-x265 libjson-xs-perl libldap-common libltdl-dev libmagickcore-7.q16-10-extra libmail-sendmail-perl libnet-dbus-perl libpng-tools librsvg2-common libsasl2-modules libspreadsheet-parseexcel-perl libx11-protocol-perl linux-sysctl-defaults lmodern logrotate lynx mupdf netpbm okular psmisc publicsuffix python3-bottleneck python3-bs4 python3-html5lib python3-lxml python3-matplotlib python3-numexpr python3-odf python3-olefile python3-openpyxl python3-scipy python3-sqlalchemy-ext python3-tables qpdfview qpdfview-ps-plugin ruby systemd texlive-plain-generic tipa tk viewpdf.app wget x11-utils x11-xserver-utils xdg-user-dirs xpdf zathura-pdf-poppler zathura-ps 0 packages upgraded, 369 newly installed, 0 to remove and 0 not upgraded. Need to get 396 MB of archives. After unpacking 2139 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main arm64 m4 arm64 1.4.19-4 [277 kB] Get: 2 http://deb.debian.org/debian unstable/main arm64 flex arm64 2.6.4-8.2+b3 [412 kB] Get: 3 http://deb.debian.org/debian unstable/main arm64 libfftw3-double3 arm64 3.3.10-2+b1 [337 kB] Get: 4 http://deb.debian.org/debian unstable/main arm64 libexpat1 arm64 2.6.4-1 [90.7 kB] Get: 5 http://deb.debian.org/debian unstable/main arm64 libbrotli1 arm64 1.1.0-2+b6 [297 kB] Get: 6 http://deb.debian.org/debian unstable/main arm64 libpng16-16t64 arm64 1.6.44-3 [273 kB] Get: 7 http://deb.debian.org/debian unstable/main arm64 libfreetype6 arm64 2.13.3+dfsg-1 [422 kB] Get: 8 http://deb.debian.org/debian unstable/main arm64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 9 http://deb.debian.org/debian unstable/main arm64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 10 http://deb.debian.org/debian unstable/main arm64 fontconfig-config arm64 2.15.0-1.1+b1 [318 kB] Get: 11 http://deb.debian.org/debian unstable/main arm64 libfontconfig1 arm64 2.15.0-1.1+b1 [387 kB] Get: 12 http://deb.debian.org/debian unstable/main arm64 libsharpyuv0 arm64 1.4.0-0.1+b1 [112 kB] Get: 13 http://deb.debian.org/debian unstable/main arm64 libdav1d7 arm64 1.5.0-1+b1 [248 kB] Get: 14 http://deb.debian.org/debian unstable/main arm64 libheif-plugin-dav1d arm64 1.19.3-1 [11.2 kB] Get: 15 http://deb.debian.org/debian unstable/main arm64 libde265-0 arm64 1.0.15-1+b2 [153 kB] Get: 16 http://deb.debian.org/debian unstable/main arm64 libheif-plugin-libde265 arm64 1.19.3-1 [14.9 kB] Get: 17 http://deb.debian.org/debian unstable/main arm64 libheif1 arm64 1.19.3-1 [419 kB] Get: 18 http://deb.debian.org/debian unstable/main arm64 libjbig0 arm64 2.1-6.1+b2 [30.4 kB] Get: 19 http://deb.debian.org/debian unstable/main arm64 libjpeg62-turbo arm64 1:2.1.5-3+b1 [173 kB] Get: 20 http://deb.debian.org/debian unstable/main arm64 liblcms2-2 arm64 2.16-2 [151 kB] Get: 21 http://deb.debian.org/debian unstable/main arm64 libglib2.0-0t64 arm64 2.82.4-1 [1411 kB] Get: 22 http://deb.debian.org/debian unstable/main arm64 liblqr-1-0 arm64 0.4.2-2.1+b2 [27.0 kB] Get: 23 http://deb.debian.org/debian unstable/main arm64 libltdl7 arm64 2.4.7-8 [392 kB] Get: 24 http://deb.debian.org/debian unstable/main arm64 libopenjp2-7 arm64 2.5.0-2+b4 [185 kB] Get: 25 http://deb.debian.org/debian unstable/main arm64 libraw23t64 arm64 0.21.3-1+b1 [370 kB] Get: 26 http://deb.debian.org/debian unstable/main arm64 libdeflate0 arm64 1.22-1 [42.2 kB] Get: 27 http://deb.debian.org/debian unstable/main arm64 liblerc4 arm64 4.0.0+ds-5 [146 kB] Get: 28 http://deb.debian.org/debian unstable/main arm64 libwebp7 arm64 1.4.0-0.1+b1 [268 kB] Get: 29 http://deb.debian.org/debian unstable/main arm64 libtiff6 arm64 4.5.1+git230720-5 [309 kB] Get: 30 http://deb.debian.org/debian unstable/main arm64 libwebpdemux2 arm64 1.4.0-0.1+b1 [110 kB] Get: 31 http://deb.debian.org/debian unstable/main arm64 libwebpmux3 arm64 1.4.0-0.1+b1 [122 kB] Get: 32 http://deb.debian.org/debian unstable/main arm64 libxau6 arm64 1:1.0.11-1 [20.6 kB] Get: 33 http://deb.debian.org/debian unstable/main arm64 libxdmcp6 arm64 1:1.1.5-1 [27.8 kB] Get: 34 http://deb.debian.org/debian unstable/main arm64 libxcb1 arm64 1.17.0-2+b1 [143 kB] Get: 35 http://deb.debian.org/debian unstable/main arm64 libx11-data all 2:1.8.10-2 [337 kB] Get: 36 http://deb.debian.org/debian unstable/main arm64 libx11-6 arm64 2:1.8.10-2 [789 kB] Get: 37 http://deb.debian.org/debian unstable/main arm64 libxext6 arm64 2:1.3.4-1+b2 [49.3 kB] Get: 38 http://deb.debian.org/debian unstable/main arm64 libicu72 arm64 72.1-5+b1 [9239 kB] Get: 39 http://deb.debian.org/debian unstable/main arm64 libxml2 arm64 2.12.7+dfsg+really2.9.14-0.2+b1 [630 kB] Get: 40 http://deb.debian.org/debian unstable/main arm64 imagemagick-7-common all 8:7.1.1.39+dfsg1-3 [66.9 kB] Get: 41 http://deb.debian.org/debian unstable/main arm64 libmagickcore-7.q16-10 arm64 8:7.1.1.39+dfsg1-3 [1649 kB] Get: 42 http://deb.debian.org/debian unstable/main arm64 libmagickwand-7.q16-10 arm64 8:7.1.1.39+dfsg1-3 [268 kB] Get: 43 http://deb.debian.org/debian unstable/main arm64 libjson-perl all 4.10000-1 [87.5 kB] Get: 44 http://deb.debian.org/debian unstable/main arm64 libio-pty-perl arm64 1:1.20-1+b2 [34.0 kB] Get: 45 http://deb.debian.org/debian unstable/main arm64 libipc-run-perl all 20231003.0-2 [101 kB] Get: 46 http://deb.debian.org/debian unstable/main arm64 netbase all 6.4 [12.8 kB] Get: 47 http://deb.debian.org/debian unstable/main arm64 postgresql-client-common all 267 [36.5 kB] Get: 48 http://deb.debian.org/debian unstable/main arm64 openssl arm64 3.3.2-2 [1347 kB] Get: 49 http://deb.debian.org/debian unstable/main arm64 ssl-cert all 1.1.3 [16.8 kB] Get: 50 http://deb.debian.org/debian unstable/main arm64 libproc2-0 arm64 2:4.0.4-6 [62.3 kB] Get: 51 http://deb.debian.org/debian unstable/main arm64 procps arm64 2:4.0.4-6 [872 kB] Get: 52 http://deb.debian.org/debian unstable/main arm64 sensible-utils all 0.0.24 [24.8 kB] Get: 53 http://deb.debian.org/debian unstable/main arm64 ucf all 3.0045 [45.2 kB] Get: 54 http://deb.debian.org/debian unstable/main arm64 postgresql-common all 267 [170 kB] Get: 55 http://deb.debian.org/debian unstable/main arm64 libpython3.12-minimal arm64 3.12.8-3 [810 kB] Get: 56 http://deb.debian.org/debian unstable/main arm64 python3.12-minimal arm64 3.12.8-3 [1941 kB] Get: 57 http://deb.debian.org/debian unstable/main arm64 python3-minimal arm64 3.12.7-1 [26.8 kB] Get: 58 http://deb.debian.org/debian unstable/main arm64 media-types all 10.1.0 [26.9 kB] Get: 59 http://deb.debian.org/debian unstable/main arm64 tzdata all 2024b-4 [256 kB] Get: 60 http://deb.debian.org/debian unstable/main arm64 libkrb5support0 arm64 1.21.3-3 [32.1 kB] Get: 61 http://deb.debian.org/debian unstable/main arm64 libcom-err2 arm64 1.47.2~rc1-2 [23.7 kB] Get: 62 http://deb.debian.org/debian unstable/main arm64 libk5crypto3 arm64 1.21.3-3 [80.8 kB] Get: 63 http://deb.debian.org/debian unstable/main arm64 libkeyutils1 arm64 1.6.3-4 [9352 B] Get: 64 http://deb.debian.org/debian unstable/main arm64 libkrb5-3 arm64 1.21.3-3 [310 kB] Get: 65 http://deb.debian.org/debian unstable/main arm64 libgssapi-krb5-2 arm64 1.21.3-3 [126 kB] Get: 66 http://deb.debian.org/debian unstable/main arm64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 67 http://deb.debian.org/debian unstable/main arm64 libtirpc3t64 arm64 1.3.4+ds-1.3+b1 [78.7 kB] Get: 68 http://deb.debian.org/debian unstable/main arm64 libnsl2 arm64 1.3.0-3+b3 [37.9 kB] Get: 69 http://deb.debian.org/debian unstable/main arm64 readline-common all 8.2-6 [69.4 kB] Get: 70 http://deb.debian.org/debian unstable/main arm64 libreadline8t64 arm64 8.2-6 [159 kB] Get: 71 http://deb.debian.org/debian unstable/main arm64 libpython3.12-stdlib arm64 3.12.8-3 [1906 kB] Get: 72 http://deb.debian.org/debian unstable/main arm64 python3.12 arm64 3.12.8-3 [677 kB] Get: 73 http://deb.debian.org/debian unstable/main arm64 libpython3-stdlib arm64 3.12.7-1 [9708 B] Get: 74 http://deb.debian.org/debian unstable/main arm64 python3 arm64 3.12.7-1 [27.8 kB] Get: 75 http://deb.debian.org/debian unstable/main arm64 sgml-base all 1.31 [15.4 kB] Get: 76 http://deb.debian.org/debian unstable/main arm64 ca-certificates all 20240203 [158 kB] Get: 77 http://deb.debian.org/debian unstable/main arm64 libmagic-mgc arm64 1:5.45-3+b1 [314 kB] Get: 78 http://deb.debian.org/debian unstable/main arm64 libmagic1t64 arm64 1:5.45-3+b1 [102 kB] Get: 79 http://deb.debian.org/debian unstable/main arm64 file arm64 1:5.45-3+b1 [43.4 kB] Get: 80 http://deb.debian.org/debian unstable/main arm64 gettext-base arm64 0.22.5-3 [198 kB] Get: 81 http://deb.debian.org/debian unstable/main arm64 libuchardet0 arm64 0.0.8-1+b2 [69.2 kB] Get: 82 http://deb.debian.org/debian unstable/main arm64 groff-base arm64 1.23.0-6 [1130 kB] Get: 83 http://deb.debian.org/debian unstable/main arm64 bsdextrautils arm64 2.40.2-12 [91.4 kB] Get: 84 http://deb.debian.org/debian unstable/main arm64 libpipeline1 arm64 1.5.8-1 [40.2 kB] Get: 85 http://deb.debian.org/debian unstable/main arm64 man-db arm64 2.13.0-1 [1404 kB] Get: 86 http://deb.debian.org/debian unstable/main arm64 autoconf all 2.72-3 [493 kB] Get: 87 http://deb.debian.org/debian unstable/main arm64 autotools-dev all 20220109.1 [51.6 kB] Get: 88 http://deb.debian.org/debian unstable/main arm64 automake all 1:1.16.5-1.3 [823 kB] Get: 89 http://deb.debian.org/debian unstable/main arm64 autopoint all 0.22.5-3 [723 kB] Get: 90 http://deb.debian.org/debian unstable/main arm64 bison arm64 2:3.8.2+dfsg-1+b2 [1149 kB] Get: 91 http://deb.debian.org/debian unstable/main arm64 libcatch2-dev arm64 3.7.1-0.4 [588 kB] Get: 92 http://deb.debian.org/debian unstable/main arm64 catch2 all 3.7.1-0.4 [5052 B] Get: 93 http://deb.debian.org/debian unstable/main arm64 libedit2 arm64 3.1-20240808-1 [89.2 kB] Get: 94 http://deb.debian.org/debian unstable/main arm64 libz3-4 arm64 4.13.3-1 [7507 kB] Get: 95 http://deb.debian.org/debian unstable/main arm64 libllvm19 arm64 1:19.1.5-1 [23.3 MB] Get: 96 http://deb.debian.org/debian unstable/main arm64 libclang-cpp19 arm64 1:19.1.5-1 [12.0 MB] Get: 97 http://deb.debian.org/debian unstable/main arm64 libgc1 arm64 1:8.2.8-1 [241 kB] Get: 98 http://deb.debian.org/debian unstable/main arm64 libobjc4 arm64 14.2.0-11 [39.3 kB] Get: 99 http://deb.debian.org/debian unstable/main arm64 libobjc-14-dev arm64 14.2.0-11 [166 kB] Get: 100 http://deb.debian.org/debian unstable/main arm64 libclang-common-19-dev arm64 1:19.1.5-1 [739 kB] Get: 101 http://deb.debian.org/debian unstable/main arm64 llvm-19-linker-tools arm64 1:19.1.5-1 [1098 kB] Get: 102 http://deb.debian.org/debian unstable/main arm64 libclang1-19 arm64 1:19.1.5-1 [6850 kB] Get: 103 http://deb.debian.org/debian unstable/main arm64 clang-19 arm64 1:19.1.5-1 [112 kB] Get: 104 http://deb.debian.org/debian unstable/main arm64 cmake-data all 3.31.2-1 [2267 kB] Get: 105 http://deb.debian.org/debian unstable/main arm64 libarchive13t64 arm64 3.7.4-1.1 [323 kB] Get: 106 http://deb.debian.org/debian unstable/main arm64 libsasl2-modules-db arm64 2.1.28+dfsg1-8 [20.0 kB] Get: 107 http://deb.debian.org/debian unstable/main arm64 libsasl2-2 arm64 2.1.28+dfsg1-8 [55.4 kB] Get: 108 http://deb.debian.org/debian unstable/main arm64 libldap-2.5-0 arm64 2.5.18+dfsg-3+b1 [175 kB] Get: 109 http://deb.debian.org/debian unstable/main arm64 libnghttp2-14 arm64 1.64.0-1 [71.3 kB] Get: 110 http://deb.debian.org/debian unstable/main arm64 libpsl5t64 arm64 0.21.2-1.1+b1 [57.1 kB] Get: 111 http://deb.debian.org/debian unstable/main arm64 librtmp1 arm64 2.4+20151223.gitfa8646d.1-2+b5 [56.8 kB] Get: 112 http://deb.debian.org/debian unstable/main arm64 libssh2-1t64 arm64 1.11.1-1 [235 kB] Get: 113 http://deb.debian.org/debian unstable/main arm64 libcurl4t64 arm64 8.11.1-1 [325 kB] Get: 114 http://deb.debian.org/debian unstable/main arm64 libjsoncpp26 arm64 1.9.6-3 [72.9 kB] Get: 115 http://deb.debian.org/debian unstable/main arm64 librhash1 arm64 1.4.5-1 [129 kB] Get: 116 http://deb.debian.org/debian unstable/main arm64 libuv1t64 arm64 1.48.0-7 [143 kB] Get: 117 http://deb.debian.org/debian unstable/main arm64 cmake arm64 3.31.2-1 [9879 kB] Get: 118 http://deb.debian.org/debian unstable/main arm64 libdebhelper-perl all 13.21 [88.9 kB] Get: 119 http://deb.debian.org/debian unstable/main arm64 libtool all 2.4.7-8 [517 kB] Get: 120 http://deb.debian.org/debian unstable/main arm64 dh-autoreconf all 20 [17.1 kB] Get: 121 http://deb.debian.org/debian unstable/main arm64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 122 http://deb.debian.org/debian unstable/main arm64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 123 http://deb.debian.org/debian unstable/main arm64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 124 http://deb.debian.org/debian unstable/main arm64 libelf1t64 arm64 0.192-4 [189 kB] Get: 125 http://deb.debian.org/debian unstable/main arm64 dwz arm64 0.15-1+b1 [102 kB] Get: 126 http://deb.debian.org/debian unstable/main arm64 gettext arm64 0.22.5-3 [1532 kB] Get: 127 http://deb.debian.org/debian unstable/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 128 http://deb.debian.org/debian unstable/main arm64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 129 http://deb.debian.org/debian unstable/main arm64 debhelper all 13.21 [919 kB] Get: 130 http://deb.debian.org/debian unstable/main arm64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 131 http://deb.debian.org/debian unstable/main arm64 python3-more-itertools all 10.5.0-1 [63.8 kB] Get: 132 http://deb.debian.org/debian unstable/main arm64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 133 http://deb.debian.org/debian unstable/main arm64 python3-typeguard all 4.4.1-1 [37.0 kB] Get: 134 http://deb.debian.org/debian unstable/main arm64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 135 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 136 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 137 http://deb.debian.org/debian unstable/main arm64 python3-pkg-resources all 75.6.0-1 [222 kB] Get: 138 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get: 139 http://deb.debian.org/debian unstable/main arm64 python3-zipp all 3.21.0-1 [10.6 kB] Get: 140 http://deb.debian.org/debian unstable/main arm64 python3-setuptools all 75.6.0-1 [720 kB] Get: 141 http://deb.debian.org/debian unstable/main arm64 dh-python all 6.20241217 [113 kB] Get: 142 http://deb.debian.org/debian unstable/main arm64 xml-core all 0.19 [20.1 kB] Get: 143 http://deb.debian.org/debian unstable/main arm64 docutils-common all 0.21.2+dfsg-2 [128 kB] Get: 144 http://deb.debian.org/debian unstable/main arm64 libfmt10 arm64 10.1.1+ds1-4 [121 kB] Get: 145 http://deb.debian.org/debian unstable/main arm64 doxygen arm64 1.9.8+ds-2+b3 [4515 kB] Get: 146 http://deb.debian.org/debian unstable/main arm64 fontconfig arm64 2.15.0-1.1+b1 [463 kB] Get: 147 http://deb.debian.org/debian unstable/main arm64 fonts-lmodern all 2.005-1 [4540 kB] Get: 148 http://deb.debian.org/debian unstable/main arm64 native-architecture all 0.2.3 [2108 B] Get: 149 http://deb.debian.org/debian unstable/main arm64 libgirepository-2.0-0 arm64 2.82.4-1 [130 kB] Get: 150 http://deb.debian.org/debian unstable/main arm64 girepository-tools arm64 2.82.4-1 [135 kB] Get: 151 http://deb.debian.org/debian unstable/main arm64 hicolor-icon-theme all 0.18-1 [12.0 kB] Get: 152 http://deb.debian.org/debian unstable/main arm64 icu-devtools arm64 72.1-5+b1 [195 kB] Get: 153 http://deb.debian.org/debian unstable/main arm64 imagemagick-7.q16 arm64 8:7.1.1.39+dfsg1-3 [726 kB] Get: 154 http://deb.debian.org/debian unstable/main arm64 imagemagick arm64 8:7.1.1.39+dfsg1-3 [20.0 kB] Get: 155 http://deb.debian.org/debian unstable/main arm64 tex-common all 6.18 [32.5 kB] Get: 156 http://deb.debian.org/debian unstable/main arm64 libpaper1 arm64 1.1.29+b2 [13.0 kB] Get: 157 http://deb.debian.org/debian unstable/main arm64 libpaper-utils arm64 1.1.29+b2 [9128 B] Get: 158 http://deb.debian.org/debian unstable/main arm64 libkpathsea6 arm64 2024.20240313.70630+ds-5 [153 kB] Get: 159 http://deb.debian.org/debian unstable/main arm64 libptexenc1 arm64 2024.20240313.70630+ds-5 [47.9 kB] Get: 160 http://deb.debian.org/debian unstable/main arm64 libsynctex2 arm64 2024.20240313.70630+ds-5 [60.3 kB] Get: 161 http://deb.debian.org/debian unstable/main arm64 libtexlua53-5 arm64 2024.20240313.70630+ds-5 [106 kB] Get: 162 http://deb.debian.org/debian unstable/main arm64 t1utils arm64 1.41-4+b1 [57.6 kB] Get: 163 http://deb.debian.org/debian unstable/main arm64 libpixman-1-0 arm64 0.44.0-3 [168 kB] Get: 164 http://deb.debian.org/debian unstable/main arm64 libxcb-render0 arm64 1.17.0-2+b1 [115 kB] Get: 165 http://deb.debian.org/debian unstable/main arm64 libxcb-shm0 arm64 1.17.0-2+b1 [105 kB] Get: 166 http://deb.debian.org/debian unstable/main arm64 libxrender1 arm64 1:0.9.10-1.1+b3 [27.2 kB] Get: 167 http://deb.debian.org/debian unstable/main arm64 libcairo2 arm64 1.18.2-2 [483 kB] Get: 168 http://deb.debian.org/debian unstable/main arm64 libgraphite2-3 arm64 1.3.14-2+b1 [70.4 kB] Get: 169 http://deb.debian.org/debian unstable/main arm64 libharfbuzz0b arm64 10.1.0-1 [442 kB] Get: 170 http://deb.debian.org/debian unstable/main arm64 libmpfi0 arm64 1.5.4+ds-4 [34.5 kB] Get: 171 http://deb.debian.org/debian unstable/main arm64 libpotrace0 arm64 1.16-2+b2 [23.4 kB] Get: 172 http://deb.debian.org/debian unstable/main arm64 libteckit0 arm64 2.5.12+ds1-1+b1 [303 kB] Get: 173 http://deb.debian.org/debian unstable/main arm64 x11-common all 1:7.7+23.1 [216 kB] Get: 174 http://deb.debian.org/debian unstable/main arm64 libice6 arm64 2:1.1.1-1 [62.1 kB] Get: 175 http://deb.debian.org/debian unstable/main arm64 libsm6 arm64 2:1.2.4-1 [34.2 kB] Get: 176 http://deb.debian.org/debian unstable/main arm64 libxt6t64 arm64 1:1.2.1-1.2+b1 [173 kB] Get: 177 http://deb.debian.org/debian unstable/main arm64 libxmu6 arm64 2:1.1.3-3+b3 [55.6 kB] Get: 178 http://deb.debian.org/debian unstable/main arm64 libxpm4 arm64 1:3.5.17-1+b2 [53.2 kB] Get: 179 http://deb.debian.org/debian unstable/main arm64 libxaw7 arm64 2:1.0.16-1 [195 kB] Get: 180 http://deb.debian.org/debian unstable/main arm64 libxi6 arm64 2:1.8.2-1 [77.8 kB] Get: 181 http://deb.debian.org/debian unstable/main arm64 libzzip-0-13t64 arm64 0.13.72+dfsg.1-1.3 [56.6 kB] Get: 182 http://deb.debian.org/debian unstable/main arm64 texlive-binaries arm64 2024.20240313.70630+ds-5 [7358 kB] Get: 183 http://deb.debian.org/debian unstable/main arm64 xdg-utils all 1.2.1-2 [75.8 kB] Get: 184 http://deb.debian.org/debian unstable/main arm64 texlive-base all 2024.20241115-1 [22.7 MB] Get: 185 http://deb.debian.org/debian unstable/main arm64 texlive-latex-base all 2024.20241115-1 [1278 kB] Get: 186 http://deb.debian.org/debian unstable/main arm64 latexmk all 1:4.85-1 [501 kB] Get: 187 http://deb.debian.org/debian unstable/main arm64 libapache-pom-java all 33-2 [5852 B] Get: 188 http://deb.debian.org/debian unstable/main arm64 libblas3 arm64 3.12.0-4 [98.7 kB] Get: 189 http://deb.debian.org/debian unstable/main arm64 uuid-dev arm64 2.40.2-12 [48.0 kB] Get: 190 http://deb.debian.org/debian unstable/main arm64 libblkid-dev arm64 2.40.2-12 [209 kB] Get: 191 http://deb.debian.org/debian unstable/main arm64 libboost1.83-dev arm64 1.83.0-4 [10.6 MB] Get: 192 http://deb.debian.org/debian unstable/main arm64 libboost-atomic1.83.0 arm64 1.83.0-4 [233 kB] Get: 193 http://deb.debian.org/debian unstable/main arm64 libboost-atomic1.83-dev arm64 1.83.0-4 [234 kB] Get: 194 http://deb.debian.org/debian unstable/main arm64 libboost-chrono1.83.0t64 arm64 1.83.0-4 [239 kB] Get: 195 http://deb.debian.org/debian unstable/main arm64 libboost-chrono1.83-dev arm64 1.83.0-4 [245 kB] Get: 196 http://deb.debian.org/debian unstable/main arm64 libboost-date-time1.83.0 arm64 1.83.0-4 [231 kB] Get: 197 http://deb.debian.org/debian unstable/main arm64 libboost-serialization1.83.0 arm64 1.83.0-4 [325 kB] Get: 198 http://deb.debian.org/debian unstable/main arm64 libboost-serialization1.83-dev arm64 1.83.0-4 [375 kB] Get: 199 http://deb.debian.org/debian unstable/main arm64 libboost-date-time1.83-dev arm64 1.83.0-4 [239 kB] Get: 200 http://deb.debian.org/debian unstable/main arm64 libboost-dev arm64 1.83.0.2+b2 [3828 B] Get: 201 http://deb.debian.org/debian unstable/main arm64 libboost-regex1.83.0 arm64 1.83.0-4 [314 kB] Get: 202 http://deb.debian.org/debian unstable/main arm64 libicu-dev arm64 72.1-5+b1 [10.3 MB] Get: 203 http://deb.debian.org/debian unstable/main arm64 libboost-regex1.83-dev arm64 1.83.0-4 [338 kB] Get: 204 http://deb.debian.org/debian unstable/main arm64 libboost-iostreams1.83-dev arm64 1.83.0-4 [261 kB] Get: 205 http://deb.debian.org/debian unstable/main arm64 libboost-iostreams-dev arm64 1.83.0.2+b2 [3568 B] Get: 206 http://deb.debian.org/debian unstable/main arm64 libboost-python1.83.0 arm64 1.83.0-4 [309 kB] Get: 207 http://deb.debian.org/debian unstable/main arm64 libboost-numpy1.83.0 arm64 1.83.0-4 [241 kB] Get: 208 http://deb.debian.org/debian unstable/main arm64 libboost-numpy1.83-dev arm64 1.83.0-4 [246 kB] Get: 209 http://deb.debian.org/debian unstable/main arm64 libboost-numpy-dev arm64 1.83.0.2+b2 [3632 B] Get: 210 http://deb.debian.org/debian unstable/main arm64 libboost-program-options1.83.0 arm64 1.83.0-4 [331 kB] Get: 211 http://deb.debian.org/debian unstable/main arm64 libboost-program-options1.83-dev arm64 1.83.0-4 [371 kB] Get: 212 http://deb.debian.org/debian unstable/main arm64 libboost-program-options-dev arm64 1.83.0.2+b2 [3600 B] Get: 213 http://deb.debian.org/debian unstable/main arm64 libpython3.12t64 arm64 3.12.8-3 [1983 kB] Get: 214 http://deb.debian.org/debian unstable/main arm64 libexpat1-dev arm64 2.6.4-1 [143 kB] Get: 215 http://deb.debian.org/debian unstable/main arm64 zlib1g-dev arm64 1:1.3.dfsg+really1.3.1-1+b1 [917 kB] Get: 216 http://deb.debian.org/debian unstable/main arm64 libpython3.12-dev arm64 3.12.8-3 [4823 kB] Get: 217 http://deb.debian.org/debian unstable/main arm64 libpython3-dev arm64 3.12.7-1 [9980 B] Get: 218 http://deb.debian.org/debian unstable/main arm64 python3.12-dev arm64 3.12.8-3 [505 kB] Get: 219 http://deb.debian.org/debian unstable/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 220 http://deb.debian.org/debian unstable/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 221 http://deb.debian.org/debian unstable/main arm64 libjs-sphinxdoc all 8.1.3-2 [30.3 kB] Get: 222 http://deb.debian.org/debian unstable/main arm64 python3-dev arm64 3.12.7-1 [26.1 kB] Get: 223 http://deb.debian.org/debian unstable/main arm64 libboost-python1.83-dev arm64 1.83.0-4 [323 kB] Get: 224 http://deb.debian.org/debian unstable/main arm64 libboost-python-dev arm64 1.83.0.2+b2 [3880 B] Get: 225 http://deb.debian.org/debian unstable/main arm64 libboost-regex-dev arm64 1.83.0.2+b2 [3852 B] Get: 226 http://deb.debian.org/debian unstable/main arm64 libboost-system1.83.0 arm64 1.83.0-4 [231 kB] Get: 227 http://deb.debian.org/debian unstable/main arm64 libboost-system1.83-dev arm64 1.83.0-4 [231 kB] Get: 228 http://deb.debian.org/debian unstable/main arm64 libboost-system-dev arm64 1.83.0.2+b2 [3720 B] Get: 229 http://deb.debian.org/debian unstable/main arm64 libboost-thread1.83.0 arm64 1.83.0-4 [265 kB] Get: 230 http://deb.debian.org/debian unstable/main arm64 libboost-thread1.83-dev arm64 1.83.0-4 [277 kB] Get: 231 http://deb.debian.org/debian unstable/main arm64 libboost-thread-dev arm64 1.83.0.2+b2 [3616 B] Get: 232 http://deb.debian.org/debian unstable/main arm64 libbrotli-dev arm64 1.1.0-2+b6 [308 kB] Get: 233 http://deb.debian.org/debian unstable/main arm64 libbz2-dev arm64 1.0.8-6 [31.9 kB] Get: 234 http://deb.debian.org/debian unstable/main arm64 libcairo-gobject2 arm64 1.18.2-2 [130 kB] Get: 235 http://deb.debian.org/debian unstable/main arm64 liblzo2-2 arm64 2.10-3+b1 [49.6 kB] Get: 236 http://deb.debian.org/debian unstable/main arm64 libcairo-script-interpreter2 arm64 1.18.2-2 [57.4 kB] Get: 237 http://deb.debian.org/debian unstable/main arm64 libpng-dev arm64 1.6.44-3 [360 kB] Get: 238 http://deb.debian.org/debian unstable/main arm64 libfreetype-dev arm64 2.13.3+dfsg-1 [600 kB] Get: 239 http://deb.debian.org/debian unstable/main arm64 libpkgconf3 arm64 1.8.1-4 [35.3 kB] Get: 240 http://deb.debian.org/debian unstable/main arm64 pkgconf-bin arm64 1.8.1-4 [29.6 kB] Get: 241 http://deb.debian.org/debian unstable/main arm64 pkgconf arm64 1.8.1-4 [26.1 kB] Get: 242 http://deb.debian.org/debian unstable/main arm64 libfontconfig-dev arm64 2.15.0-1.1+b1 [411 kB] Get: 243 http://deb.debian.org/debian unstable/main arm64 libffi-dev arm64 3.4.6-1 [57.0 kB] Get: 244 http://deb.debian.org/debian unstable/main arm64 libsepol-dev arm64 3.7-1 [354 kB] Get: 245 http://deb.debian.org/debian unstable/main arm64 libpcre2-16-0 arm64 10.44-5 [230 kB] Get: 246 http://deb.debian.org/debian unstable/main arm64 libpcre2-32-0 arm64 10.44-5 [220 kB] Get: 247 http://deb.debian.org/debian unstable/main arm64 libpcre2-posix3 arm64 10.44-5 [60.5 kB] Get: 248 http://deb.debian.org/debian unstable/main arm64 libpcre2-dev arm64 10.44-5 [704 kB] Get: 249 http://deb.debian.org/debian unstable/main arm64 libselinux1-dev arm64 3.7-3+b1 [164 kB] Get: 250 http://deb.debian.org/debian unstable/main arm64 libmount-dev arm64 2.40.2-12 [29.1 kB] Get: 251 http://deb.debian.org/debian unstable/main arm64 libsysprof-capture-4-dev arm64 47.2-1 [49.1 kB] Get: 252 http://deb.debian.org/debian unstable/main arm64 libgio-2.0-dev arm64 2.82.4-1 [1698 kB] Get: 253 http://deb.debian.org/debian unstable/main arm64 libglib2.0-data all 2.82.4-1 [1276 kB] Get: 254 http://deb.debian.org/debian unstable/main arm64 libglib2.0-bin arm64 2.82.4-1 [123 kB] Get: 255 http://deb.debian.org/debian unstable/main arm64 python3-packaging all 24.2-1 [55.3 kB] Get: 256 http://deb.debian.org/debian unstable/main arm64 libgio-2.0-dev-bin arm64 2.82.4-1 [162 kB] Get: 257 http://deb.debian.org/debian unstable/main arm64 libglib2.0-dev-bin arm64 2.82.4-1 [52.0 kB] Get: 258 http://deb.debian.org/debian unstable/main arm64 libglib2.0-dev arm64 2.82.4-1 [52.7 kB] Get: 259 http://deb.debian.org/debian unstable/main arm64 libpixman-1-dev arm64 0.44.0-3 [11.4 kB] Get: 260 http://deb.debian.org/debian unstable/main arm64 xorg-sgml-doctools all 1:1.11-1.1 [22.1 kB] Get: 261 http://deb.debian.org/debian unstable/main arm64 x11proto-dev all 2024.1-1 [603 kB] Get: 262 http://deb.debian.org/debian unstable/main arm64 x11proto-core-dev all 2024.1-1 [3312 B] Get: 263 http://deb.debian.org/debian unstable/main arm64 libice-dev arm64 2:1.1.1-1 [73.0 kB] Get: 264 http://deb.debian.org/debian unstable/main arm64 libsm-dev arm64 2:1.2.4-1 [38.0 kB] Get: 265 http://deb.debian.org/debian unstable/main arm64 libxau-dev arm64 1:1.0.11-1 [23.9 kB] Get: 266 http://deb.debian.org/debian unstable/main arm64 libxdmcp-dev arm64 1:1.1.5-1 [44.2 kB] Get: 267 http://deb.debian.org/debian unstable/main arm64 xtrans-dev all 1.4.0-1 [98.7 kB] Get: 268 http://deb.debian.org/debian unstable/main arm64 libxcb1-dev arm64 1.17.0-2+b1 [182 kB] Get: 269 http://deb.debian.org/debian unstable/main arm64 libx11-dev arm64 2:1.8.10-2 [877 kB] Get: 270 http://deb.debian.org/debian unstable/main arm64 libxcb-render0-dev arm64 1.17.0-2+b1 [119 kB] Get: 271 http://deb.debian.org/debian unstable/main arm64 libxcb-shm0-dev arm64 1.17.0-2+b1 [108 kB] Get: 272 http://deb.debian.org/debian unstable/main arm64 libxext-dev arm64 2:1.3.4-1+b2 [105 kB] Get: 273 http://deb.debian.org/debian unstable/main arm64 libxrender-dev arm64 1:0.9.10-1.1+b3 [35.7 kB] Get: 274 http://deb.debian.org/debian unstable/main arm64 libcairo2-dev arm64 1.18.2-2 [43.0 kB] Get: 275 http://deb.debian.org/debian unstable/main arm64 libcommons-parent-java all 56-1 [10.8 kB] Get: 276 http://deb.debian.org/debian unstable/main arm64 libcommons-logging-java all 1.3.0-1 [68.6 kB] Get: 277 http://deb.debian.org/debian unstable/main arm64 libcoordgen3 arm64 3.0.2-1+b2 [204 kB] Get: 278 http://deb.debian.org/debian unstable/main arm64 libcoordgen-dev arm64 3.0.2-1+b2 [46.9 kB] Get: 279 http://deb.debian.org/debian unstable/main arm64 libdatrie1 arm64 0.2.13-3+b1 [37.6 kB] Get: 280 http://deb.debian.org/debian unstable/main arm64 libeigen3-dev all 3.4.0-4 [1041 kB] Get: 281 http://deb.debian.org/debian unstable/main arm64 libfontbox-java all 1:1.8.16-5 [211 kB] Get: 282 http://deb.debian.org/debian unstable/main arm64 libfontenc1 arm64 1:1.1.8-1+b1 [22.5 kB] Get: 283 http://deb.debian.org/debian unstable/main arm64 libfribidi0 arm64 1.0.16-1 [26.5 kB] Get: 284 http://deb.debian.org/debian unstable/main arm64 libgdk-pixbuf2.0-common all 2.42.12+dfsg-1 [311 kB] Get: 285 http://deb.debian.org/debian unstable/main arm64 shared-mime-info arm64 2.4-5+b1 [755 kB] Get: 286 http://deb.debian.org/debian unstable/main arm64 libgdk-pixbuf-2.0-0 arm64 2.42.12+dfsg-1+b1 [131 kB] Get: 287 http://deb.debian.org/debian unstable/main arm64 libgfortran5 arm64 14.2.0-11 [361 kB] Get: 288 http://deb.debian.org/debian unstable/main arm64 libimagequant0 arm64 2.18.0-1+b2 [34.6 kB] Get: 289 http://deb.debian.org/debian unstable/main arm64 libinchi1.07 arm64 1.07.1+dfsg-6 [499 kB] Get: 290 http://deb.debian.org/debian unstable/main arm64 libinchi-dev arm64 1.07.1+dfsg-6 [19.5 kB] Get: 291 http://deb.debian.org/debian unstable/main arm64 liblapack3 arm64 3.12.0-4 [1812 kB] Get: 292 http://deb.debian.org/debian unstable/main arm64 liblua5.4-0 arm64 5.4.7-1+b1 [134 kB] Get: 293 http://deb.debian.org/debian unstable/main arm64 libmaeparser1 arm64 1.3.1-1+b2 [84.6 kB] Get: 294 http://deb.debian.org/debian unstable/main arm64 libmaeparser-dev arm64 1.3.1-1+b2 [13.6 kB] Get: 295 http://deb.debian.org/debian unstable/main arm64 libncurses6 arm64 6.5-2+b1 [96.1 kB] Get: 296 http://deb.debian.org/debian unstable/main arm64 libncurses-dev arm64 6.5-2+b1 [338 kB] Get: 297 http://deb.debian.org/debian unstable/main arm64 libnuma1 arm64 2.0.18-1+b1 [21.8 kB] Get: 298 http://deb.debian.org/debian unstable/main arm64 libthai-data all 0.1.29-2 [168 kB] Get: 299 http://deb.debian.org/debian unstable/main arm64 libthai0 arm64 0.1.29-2+b1 [48.4 kB] Get: 300 http://deb.debian.org/debian unstable/main arm64 libpango-1.0-0 arm64 1.55.0+ds-3 [212 kB] Get: 301 http://deb.debian.org/debian unstable/main arm64 libpangoft2-1.0-0 arm64 1.55.0+ds-3 [52.1 kB] Get: 302 http://deb.debian.org/debian unstable/main arm64 libpangocairo-1.0-0 arm64 1.55.0+ds-3 [33.4 kB] Get: 303 http://deb.debian.org/debian unstable/main arm64 libpdfbox-java all 1:1.8.16-5 [5527 kB] Get: 304 http://deb.debian.org/debian unstable/main arm64 libpfm4 arm64 4.13.0+git83-g91970fe-1 [63.6 kB] Get: 305 http://deb.debian.org/debian unstable/main arm64 libpq5 arm64 17.2-1 [216 kB] Get: 306 http://deb.debian.org/debian unstable/main arm64 libssl-dev arm64 3.3.2-2 [3185 kB] Get: 307 http://deb.debian.org/debian unstable/main arm64 libpq-dev arm64 17.2-1 [144 kB] Get: 308 http://deb.debian.org/debian unstable/main arm64 libraqm0 arm64 0.10.2-1 [13.6 kB] Get: 309 http://deb.debian.org/debian unstable/main arm64 librsvg2-2 arm64 2.59.2+dfsg-1 [1664 kB] Get: 310 http://deb.debian.org/debian unstable/main arm64 librsvg2-bin arm64 2.59.2+dfsg-1 [1808 kB] Get: 311 http://deb.debian.org/debian unstable/main arm64 libsqlite3-dev arm64 3.46.1-1 [1058 kB] Get: 312 http://deb.debian.org/debian unstable/main arm64 libxml2-dev arm64 2.12.7+dfsg+really2.9.14-0.2+b1 [751 kB] Get: 313 http://deb.debian.org/debian unstable/main arm64 libyaml-0-2 arm64 0.2.5-1+b2 [49.3 kB] Get: 314 http://deb.debian.org/debian unstable/main arm64 libz3-dev arm64 4.13.3-1 [107 kB] Get: 315 http://deb.debian.org/debian unstable/main arm64 llvm-19-runtime arm64 1:19.1.5-1 [503 kB] Get: 316 http://deb.debian.org/debian unstable/main arm64 llvm-19 arm64 1:19.1.5-1 [14.7 MB] Get: 317 http://deb.debian.org/debian unstable/main arm64 python3-pygments all 2.18.0+dfsg-1 [836 kB] Get: 318 http://deb.debian.org/debian unstable/main arm64 python3-yaml arm64 6.0.2-1+b1 [148 kB] Get: 319 http://deb.debian.org/debian unstable/main arm64 llvm-19-tools arm64 1:19.1.5-1 [488 kB] Get: 320 http://deb.debian.org/debian unstable/main arm64 llvm-19-dev arm64 1:19.1.5-1 [40.5 MB] Get: 321 http://deb.debian.org/debian unstable/main arm64 pandoc-data all 3.1.11.1-3 [459 kB] Get: 322 http://deb.debian.org/debian unstable/main arm64 pandoc arm64 3.1.11.1+ds-2 [26.2 MB] Get: 323 http://deb.debian.org/debian unstable/main arm64 postgresql-client-17 arm64 17.2-1 [1957 kB] Get: 324 http://deb.debian.org/debian unstable/main arm64 postgresql-server-dev-17 arm64 17.2-1 [1306 kB] Get: 325 http://deb.debian.org/debian unstable/main arm64 postgresql-server-dev-all arm64 267 [20.8 kB] Get: 326 http://deb.debian.org/debian unstable/main arm64 preview-latex-style all 13.2-1 [350 kB] Get: 327 http://deb.debian.org/debian unstable/main arm64 python-babel-localedata all 2.16.0-1 [5696 kB] Get: 328 http://deb.debian.org/debian unstable/main arm64 python3-alabaster all 0.7.16-0.1 [27.9 kB] Get: 329 http://deb.debian.org/debian unstable/main arm64 python3-babel all 2.16.0-1 [114 kB] Get: 330 http://deb.debian.org/debian unstable/main arm64 python3-certifi all 2024.8.30+dfsg-1 [9576 B] Get: 331 http://deb.debian.org/debian unstable/main arm64 python3-chardet all 5.2.0+dfsg-1 [107 kB] Get: 332 http://deb.debian.org/debian unstable/main arm64 python3-charset-normalizer arm64 3.4.0-1+b1 [129 kB] Get: 333 http://deb.debian.org/debian unstable/main arm64 python3-commonmark all 0.9.1-7 [45.4 kB] Get: 334 http://deb.debian.org/debian unstable/main arm64 python3-dateutil all 2.9.0-3 [79.3 kB] Get: 335 http://deb.debian.org/debian unstable/main arm64 python3-defusedxml all 0.7.1-3 [43.4 kB] Get: 336 http://deb.debian.org/debian unstable/main arm64 python3-roman all 4.2-1 [10.4 kB] Get: 337 http://deb.debian.org/debian unstable/main arm64 python3-docutils all 0.21.2+dfsg-2 [403 kB] Get: 338 http://deb.debian.org/debian unstable/main arm64 python3-greenlet arm64 3.1.0-1+b1 [178 kB] Get: 339 http://deb.debian.org/debian unstable/main arm64 python3-idna all 3.8-2 [41.6 kB] Get: 340 http://deb.debian.org/debian unstable/main arm64 python3-imagesize all 1.4.1-1 [6688 B] Get: 341 http://deb.debian.org/debian unstable/main arm64 python3-iniconfig all 1.1.1-2 [6396 B] Get: 342 http://deb.debian.org/debian unstable/main arm64 python3-markupsafe arm64 2.1.5-1+b3 [14.0 kB] Get: 343 http://deb.debian.org/debian unstable/main arm64 python3-jinja2 all 3.1.3-1.1 [120 kB] Get: 344 http://deb.debian.org/debian unstable/main arm64 python3-mdurl all 0.1.2-1 [9444 B] Get: 345 http://deb.debian.org/debian unstable/main arm64 python3-markdown-it all 3.0.0-2 [62.5 kB] Get: 346 http://deb.debian.org/debian unstable/main arm64 python3-mdit-py-plugins all 0.4.2-1 [32.4 kB] Get: 347 http://deb.debian.org/debian unstable/main arm64 sphinx-common all 8.1.3-2 [616 kB] Get: 348 http://deb.debian.org/debian unstable/main arm64 python3-urllib3 all 2.2.3-4 [112 kB] Get: 349 http://deb.debian.org/debian unstable/main arm64 python3-requests all 2.32.3+dfsg-1 [71.9 kB] Get: 350 http://deb.debian.org/debian unstable/main arm64 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get: 351 http://deb.debian.org/debian unstable/main arm64 python3-sphinx all 8.1.3-2 [468 kB] Get: 352 http://deb.debian.org/debian unstable/main arm64 python3-myst-parser all 4.0.0-1 [78.7 kB] Get: 353 http://deb.debian.org/debian unstable/main arm64 python3-numpy arm64 1:1.26.4+ds-12 [3816 kB] Get: 354 http://deb.debian.org/debian unstable/main arm64 python3-tz all 2024.2-1 [31.0 kB] Get: 355 http://deb.debian.org/debian unstable/main arm64 python3-pandas-lib arm64 2.2.3+dfsg-5+b1 [6028 kB] Get: 356 http://deb.debian.org/debian unstable/main arm64 python3-pandas all 2.2.3+dfsg-5 [3096 kB] Get: 357 http://deb.debian.org/debian unstable/main arm64 python3-pil arm64 10.4.0-1+b1 [498 kB] Get: 358 http://deb.debian.org/debian unstable/main arm64 python3-pluggy all 1.5.0-1 [26.9 kB] Get: 359 http://deb.debian.org/debian unstable/main arm64 python3-pytest all 8.3.4-1 [250 kB] Get: 360 http://deb.debian.org/debian unstable/main arm64 python3-recommonmark all 0.7.1+ds-5 [17.3 kB] Get: 361 http://deb.debian.org/debian unstable/main arm64 python3-sqlalchemy all 2.0.32+ds1-1 [1196 kB] Get: 362 http://deb.debian.org/debian unstable/main arm64 rapidjson-dev all 1.1.0+dfsg2-7.3 [98.0 kB] Get: 363 http://deb.debian.org/debian unstable/main arm64 xfonts-encodings all 1:1.0.4-2.2 [577 kB] Get: 364 http://deb.debian.org/debian unstable/main arm64 xfonts-utils arm64 1:7.7+7 [89.3 kB] Get: 365 http://deb.debian.org/debian unstable/main arm64 tex-gyre all 20180621-6 [6209 kB] Get: 366 http://deb.debian.org/debian unstable/main arm64 texlive-fonts-recommended all 2024.20241115-1 [4991 kB] Get: 367 http://deb.debian.org/debian unstable/main arm64 texlive-latex-recommended all 2024.20241115-1 [8757 kB] Get: 368 http://deb.debian.org/debian unstable/main arm64 texlive-pictures all 2024.20241115-1 [17.0 MB] Get: 369 http://deb.debian.org/debian unstable/main arm64 texlive-latex-extra all 2024.20241115-1 [24.6 MB] Fetched 396 MB in 2s (171 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package m4. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20085 files and directories currently installed.) Preparing to unpack .../00-m4_1.4.19-4_arm64.deb ... Unpacking m4 (1.4.19-4) ... Selecting previously unselected package flex. Preparing to unpack .../01-flex_2.6.4-8.2+b3_arm64.deb ... Unpacking flex (2.6.4-8.2+b3) ... Selecting previously unselected package libfftw3-double3:arm64. Preparing to unpack .../02-libfftw3-double3_3.3.10-2+b1_arm64.deb ... Unpacking libfftw3-double3:arm64 (3.3.10-2+b1) ... Selecting previously unselected package libexpat1:arm64. Preparing to unpack .../03-libexpat1_2.6.4-1_arm64.deb ... Unpacking libexpat1:arm64 (2.6.4-1) ... Selecting previously unselected package libbrotli1:arm64. Preparing to unpack .../04-libbrotli1_1.1.0-2+b6_arm64.deb ... Unpacking libbrotli1:arm64 (1.1.0-2+b6) ... Selecting previously unselected package libpng16-16t64:arm64. Preparing to unpack .../05-libpng16-16t64_1.6.44-3_arm64.deb ... Unpacking libpng16-16t64:arm64 (1.6.44-3) ... Selecting previously unselected package libfreetype6:arm64. Preparing to unpack .../06-libfreetype6_2.13.3+dfsg-1_arm64.deb ... Unpacking libfreetype6:arm64 (2.13.3+dfsg-1) ... Selecting previously unselected package fonts-dejavu-mono. Preparing to unpack .../07-fonts-dejavu-mono_2.37-8_all.deb ... Unpacking fonts-dejavu-mono (2.37-8) ... Selecting previously unselected package fonts-dejavu-core. 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Selecting previously unselected package libde265-0:arm64. Preparing to unpack .../14-libde265-0_1.0.15-1+b2_arm64.deb ... Unpacking libde265-0:arm64 (1.0.15-1+b2) ... Selecting previously unselected package libheif-plugin-libde265:arm64. Preparing to unpack .../15-libheif-plugin-libde265_1.19.3-1_arm64.deb ... Unpacking libheif-plugin-libde265:arm64 (1.19.3-1) ... Selecting previously unselected package libheif1:arm64. Preparing to unpack .../16-libheif1_1.19.3-1_arm64.deb ... Unpacking libheif1:arm64 (1.19.3-1) ... Selecting previously unselected package libjbig0:arm64. Preparing to unpack .../17-libjbig0_2.1-6.1+b2_arm64.deb ... Unpacking libjbig0:arm64 (2.1-6.1+b2) ... Selecting previously unselected package libjpeg62-turbo:arm64. Preparing to unpack .../18-libjpeg62-turbo_1%3a2.1.5-3+b1_arm64.deb ... Unpacking libjpeg62-turbo:arm64 (1:2.1.5-3+b1) ... Selecting previously unselected package liblcms2-2:arm64. Preparing to unpack .../19-liblcms2-2_2.16-2_arm64.deb ... Unpacking liblcms2-2:arm64 (2.16-2) ... Selecting previously unselected package libglib2.0-0t64:arm64. Preparing to unpack .../20-libglib2.0-0t64_2.82.4-1_arm64.deb ... Unpacking libglib2.0-0t64:arm64 (2.82.4-1) ... Selecting previously unselected package liblqr-1-0:arm64. Preparing to unpack .../21-liblqr-1-0_0.4.2-2.1+b2_arm64.deb ... Unpacking liblqr-1-0:arm64 (0.4.2-2.1+b2) ... Selecting previously unselected package libltdl7:arm64. Preparing to unpack .../22-libltdl7_2.4.7-8_arm64.deb ... Unpacking libltdl7:arm64 (2.4.7-8) ... Selecting previously unselected package libopenjp2-7:arm64. Preparing to unpack .../23-libopenjp2-7_2.5.0-2+b4_arm64.deb ... Unpacking libopenjp2-7:arm64 (2.5.0-2+b4) ... Selecting previously unselected package libraw23t64:arm64. Preparing to unpack .../24-libraw23t64_0.21.3-1+b1_arm64.deb ... Unpacking libraw23t64:arm64 (0.21.3-1+b1) ... Selecting previously unselected package libdeflate0:arm64. Preparing to unpack .../25-libdeflate0_1.22-1_arm64.deb ... Unpacking libdeflate0:arm64 (1.22-1) ... Selecting previously unselected package liblerc4:arm64. Preparing to unpack .../26-liblerc4_4.0.0+ds-5_arm64.deb ... Unpacking liblerc4:arm64 (4.0.0+ds-5) ... Selecting previously unselected package libwebp7:arm64. Preparing to unpack .../27-libwebp7_1.4.0-0.1+b1_arm64.deb ... Unpacking libwebp7:arm64 (1.4.0-0.1+b1) ... Selecting previously unselected package libtiff6:arm64. Preparing to unpack .../28-libtiff6_4.5.1+git230720-5_arm64.deb ... Unpacking libtiff6:arm64 (4.5.1+git230720-5) ... Selecting previously unselected package libwebpdemux2:arm64. Preparing to unpack .../29-libwebpdemux2_1.4.0-0.1+b1_arm64.deb ... Unpacking libwebpdemux2:arm64 (1.4.0-0.1+b1) ... Selecting previously unselected package libwebpmux3:arm64. Preparing to unpack .../30-libwebpmux3_1.4.0-0.1+b1_arm64.deb ... Unpacking libwebpmux3:arm64 (1.4.0-0.1+b1) ... Selecting previously unselected package libxau6:arm64. Preparing to unpack .../31-libxau6_1%3a1.0.11-1_arm64.deb ... Unpacking libxau6:arm64 (1:1.0.11-1) ... Selecting previously unselected package libxdmcp6:arm64. Preparing to unpack .../32-libxdmcp6_1%3a1.1.5-1_arm64.deb ... Unpacking libxdmcp6:arm64 (1:1.1.5-1) ... Selecting previously unselected package libxcb1:arm64. Preparing to unpack .../33-libxcb1_1.17.0-2+b1_arm64.deb ... Unpacking libxcb1:arm64 (1.17.0-2+b1) ... Selecting previously unselected package libx11-data. Preparing to unpack .../34-libx11-data_2%3a1.8.10-2_all.deb ... Unpacking libx11-data (2:1.8.10-2) ... Selecting previously unselected package libx11-6:arm64. Preparing to unpack .../35-libx11-6_2%3a1.8.10-2_arm64.deb ... Unpacking libx11-6:arm64 (2:1.8.10-2) ... Selecting previously unselected package libxext6:arm64. Preparing to unpack .../36-libxext6_2%3a1.3.4-1+b2_arm64.deb ... Unpacking libxext6:arm64 (2:1.3.4-1+b2) ... Selecting previously unselected package libicu72:arm64. 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Unpacking ssl-cert (1.1.3) ... Selecting previously unselected package libproc2-0:arm64. Preparing to unpack .../49-libproc2-0_2%3a4.0.4-6_arm64.deb ... Unpacking libproc2-0:arm64 (2:4.0.4-6) ... Selecting previously unselected package procps. Preparing to unpack .../50-procps_2%3a4.0.4-6_arm64.deb ... Unpacking procps (2:4.0.4-6) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../51-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... Selecting previously unselected package ucf. Preparing to unpack .../52-ucf_3.0045_all.deb ... Moving old data out of the way Unpacking ucf (3.0045) ... Selecting previously unselected package postgresql-common. Preparing to unpack .../53-postgresql-common_267_all.deb ... Adding 'diversion of /usr/bin/pg_config to /usr/bin/pg_config.libpq-dev by postgresql-common' Unpacking postgresql-common (267) ... Selecting previously unselected package libpython3.12-minimal:arm64. Preparing to unpack .../54-libpython3.12-minimal_3.12.8-3_arm64.deb ... Unpacking libpython3.12-minimal:arm64 (3.12.8-3) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../55-python3.12-minimal_3.12.8-3_arm64.deb ... Unpacking python3.12-minimal (3.12.8-3) ... Setting up libpython3.12-minimal:arm64 (3.12.8-3) ... Setting up libexpat1:arm64 (2.6.4-1) ... Setting up python3.12-minimal (3.12.8-3) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 22372 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.7-1_arm64.deb ... Unpacking python3-minimal (3.12.7-1) ... Selecting previously unselected package media-types. Preparing to unpack .../01-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package tzdata. Preparing to unpack .../02-tzdata_2024b-4_all.deb ... Unpacking tzdata (2024b-4) ... Selecting previously unselected package libkrb5support0:arm64. Preparing to unpack .../03-libkrb5support0_1.21.3-3_arm64.deb ... Unpacking libkrb5support0:arm64 (1.21.3-3) ... Selecting previously unselected package libcom-err2:arm64. Preparing to unpack .../04-libcom-err2_1.47.2~rc1-2_arm64.deb ... Unpacking libcom-err2:arm64 (1.47.2~rc1-2) ... Selecting previously unselected package libk5crypto3:arm64. Preparing to unpack .../05-libk5crypto3_1.21.3-3_arm64.deb ... Unpacking libk5crypto3:arm64 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:arm64. Preparing to unpack .../06-libkeyutils1_1.6.3-4_arm64.deb ... Unpacking libkeyutils1:arm64 (1.6.3-4) ... Selecting previously unselected package libkrb5-3:arm64. Preparing to unpack .../07-libkrb5-3_1.21.3-3_arm64.deb ... Unpacking libkrb5-3:arm64 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:arm64. Preparing to unpack .../08-libgssapi-krb5-2_1.21.3-3_arm64.deb ... Unpacking libgssapi-krb5-2:arm64 (1.21.3-3) ... Selecting previously unselected package libtirpc-common. Preparing to unpack .../09-libtirpc-common_1.3.4+ds-1.3_all.deb ... Unpacking libtirpc-common (1.3.4+ds-1.3) ... Selecting previously unselected package libtirpc3t64:arm64. Preparing to unpack .../10-libtirpc3t64_1.3.4+ds-1.3+b1_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3 to /lib/aarch64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3.0.0 to /lib/aarch64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:arm64 (1.3.4+ds-1.3+b1) ... Selecting previously unselected package libnsl2:arm64. Preparing to unpack .../11-libnsl2_1.3.0-3+b3_arm64.deb ... Unpacking libnsl2:arm64 (1.3.0-3+b3) ... Selecting previously unselected package readline-common. Preparing to unpack .../12-readline-common_8.2-6_all.deb ... Unpacking readline-common (8.2-6) ... Selecting previously unselected package libreadline8t64:arm64. Preparing to unpack .../13-libreadline8t64_8.2-6_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8 to /lib/aarch64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8.2 to /lib/aarch64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8 to /lib/aarch64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8.2 to /lib/aarch64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:arm64 (8.2-6) ... Selecting previously unselected package libpython3.12-stdlib:arm64. Preparing to unpack .../14-libpython3.12-stdlib_3.12.8-3_arm64.deb ... Unpacking libpython3.12-stdlib:arm64 (3.12.8-3) ... Selecting previously unselected package python3.12. Preparing to unpack .../15-python3.12_3.12.8-3_arm64.deb ... Unpacking python3.12 (3.12.8-3) ... Selecting previously unselected package libpython3-stdlib:arm64. Preparing to unpack .../16-libpython3-stdlib_3.12.7-1_arm64.deb ... Unpacking libpython3-stdlib:arm64 (3.12.7-1) ... Setting up python3-minimal (3.12.7-1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 23428 files and directories currently installed.) 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Setting up libboost-chrono1.83.0t64:arm64 (1.83.0-4) ... Setting up librtmp1:arm64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libteckit0:arm64 (2.5.12+ds1-1+b1) ... Setting up libjsoncpp26:arm64 (1.9.6-3) ... Setting up uuid-dev:arm64 (2.40.2-12) ... Setting up libapache-pom-java (33-2) ... Setting up libncurses6:arm64 (6.5-2+b1) ... Setting up xfonts-encodings (1:1.0.4-2.2) ... Setting up libfribidi0:arm64 (1.0.16-1) ... Setting up t1utils (1.41-4+b1) ... Setting up libtexlua53-5:arm64 (2024.20240313.70630+ds-5) ... Setting up libimagequant0:arm64 (2.18.0-1+b2) ... Setting up libproc2-0:arm64 (2:4.0.4-6) ... Setting up fonts-dejavu-mono (2.37-8) ... Setting up libssl-dev:arm64 (3.3.2-2) ... Setting up libpng16-16t64:arm64 (1.6.44-3) ... Setting up autopoint (0.22.5-3) ... Setting up libboost-numpy1.83-dev (1.83.0-4) ... Setting up libmpfi0:arm64 (1.5.4+ds-4) ... Setting up icu-devtools (72.1-5+b1) ... Setting up fonts-dejavu-core (2.37-8) ... Setting up libipc-run-perl (20231003.0-2) ... Setting up libsepol-dev:arm64 (3.7-1) ... Setting up pkgconf-bin (1.8.1-4) ... Setting up libk5crypto3:arm64 (1.21.3-3) ... Setting up libgc1:arm64 (1:8.2.8-1) ... Setting up libltdl7:arm64 (2.4.7-8) ... Setting up libfftw3-double3:arm64 (3.3.10-2+b1) ... Setting up libkpathsea6:arm64 (2024.20240313.70630+ds-5) ... Setting up libsasl2-2:arm64 (2.1.28+dfsg1-8) ... Setting up libgfortran5:arm64 (14.2.0-11) ... Setting up libraw23t64:arm64 (0.21.3-1+b1) ... Setting up libboost-atomic1.83-dev:arm64 (1.83.0-4) ... Setting up autoconf (2.72-3) ... Setting up libwebp7:arm64 (1.4.0-0.1+b1) ... Setting up zlib1g-dev:arm64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up libnuma1:arm64 (2.0.18-1+b1) ... Setting up libpcre2-posix3:arm64 (10.44-5) ... Setting up dwz (0.15-1+b1) ... Setting up libdav1d7:arm64 (1.5.0-1+b1) ... Setting up liblqr-1-0:arm64 (0.4.2-2.1+b2) ... Setting up sensible-utils (0.0.24) ... Setting up libtiff6:arm64 (4.5.1+git230720-5) ... Setting up libuchardet0:arm64 (0.0.8-1+b2) ... Setting up procps (2:4.0.4-6) ... Setting up libjson-perl (4.10000-1) ... Setting up bison (2:3.8.2+dfsg-1+b2) ... update-alternatives: using /usr/bin/bison.yacc to provide /usr/bin/yacc (yacc) in auto mode Setting up fonts-lmodern (2.005-1) ... Setting up liblua5.4-0:arm64 (5.4.7-1+b1) ... Setting up libopenjp2-7:arm64 (2.5.0-2+b4) ... Setting up libx11-6:arm64 (2:1.8.10-2) ... Setting up libthai-data (0.1.29-2) ... Setting up xorg-sgml-doctools (1:1.11-1.1) ... Setting up netbase (6.4) ... Setting up sgml-base (1.31) ... Setting up cmake-data (3.31.2-1) ... Setting up librhash1:arm64 (1.4.5-1) ... Setting up libkrb5-3:arm64 (1.21.3-3) ... Setting up libboost-dev:arm64 (1.83.0.2+b2) ... Setting up libboost-system1.83-dev:arm64 (1.83.0-4) ... Setting up libssh2-1t64:arm64 (1.11.1-1) ... Setting up pandoc-data (3.1.11.1-3) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libcoordgen3:arm64 (3.0.2-1+b2) ... Setting up libde265-0:arm64 (1.0.15-1+b2) ... Setting up openssl (3.3.2-2) ... Setting up libwebpmux3:arm64 (1.4.0-0.1+b1) ... Setting up libinchi1.07 (1.07.1+dfsg-6) ... Setting up libcatch2-dev (3.7.1-0.4) ... Setting up readline-common (8.2-6) ... Setting up libicu-dev:arm64 (72.1-5+b1) ... Setting up libxml2:arm64 (2.12.7+dfsg+really2.9.14-0.2+b1) ... Setting up xdg-utils (1.2.1-2) ... update-alternatives: using /usr/bin/xdg-open to provide /usr/bin/open (open) in auto mode Setting up libbrotli-dev:arm64 (1.1.0-2+b6) ... Setting up libfmt10:arm64 (10.1.1+ds1-4) ... Setting up libsynctex2:arm64 (2024.20240313.70630+ds-5) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up libbz2-dev:arm64 (1.0.8-6) ... Setting up libpotrace0:arm64 (1.16-2+b2) ... Setting up libmaeparser-dev:arm64 (1.3.1-1+b2) ... Setting up automake (1:1.16.5-1.3) ... update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode Setting up x11proto-dev (2024.1-1) ... Setting up postgresql-client-common (267) ... Setting up libfile-stripnondeterminism-perl (1.14.0-1) ... Setting up libblkid-dev:arm64 (2.40.2-12) ... Setting up libllvm19:arm64 (1:19.1.5-1) ... Setting up catch2 (3.7.1-0.4) ... Setting up libz3-dev:arm64 (4.13.3-1) ... Setting up libice6:arm64 (2:1.1.1-1) ... Setting up flex (2.6.4-8.2+b3) ... Setting up libinchi-dev (1.07.1+dfsg-6) ... Setting up liblapack3:arm64 (3.12.0-4) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/aarch64-linux-gnu/liblapack.so.3 (liblapack.so.3-aarch64-linux-gnu) in auto mode Setting up libncurses-dev:arm64 (6.5-2+b1) ... Setting up gettext (0.22.5-3) ... Setting up libclang1-19 (1:19.1.5-1) ... Setting up libpdfbox-java (1:1.8.16-5) ... Setting up libxau-dev:arm64 (1:1.0.11-1) ... Setting up libboost-chrono1.83-dev:arm64 (1.83.0-4) ... Setting up libxpm4:arm64 (1:3.5.17-1+b2) ... Setting up libpcre2-dev:arm64 (10.44-5) ... Setting up libxrender1:arm64 (1:0.9.10-1.1+b3) ... Setting up libice-dev:arm64 (2:1.1.1-1) ... Setting up libtool (2.4.7-8) ... Setting up libgirepository-2.0-0:arm64 (2.82.4-1) ... Setting up libselinux1-dev:arm64 (3.7-3+b1) ... Setting up fontconfig-config (2.15.0-1.1+b1) ... Setting up libwebpdemux2:arm64 (1.4.0-0.1+b1) ... Setting up libboost-system-dev:arm64 (1.83.0.2+b2) ... Setting up libpng-dev:arm64 (1.6.44-3) ... Setting up libcommons-parent-java (56-1) ... Setting up libboost-serialization1.83-dev:arm64 (1.83.0-4) ... Setting up libcommons-logging-java (1.3.0-1) ... Setting up libxext6:arm64 (2:1.3.4-1+b2) ... Setting up libglib2.0-bin (2.82.4-1) ... Setting up libobjc4:arm64 (14.2.0-11) ... Setting up libobjc-14-dev:arm64 (14.2.0-11) ... Setting up libldap-2.5-0:arm64 (2.5.18+dfsg-3+b1) ... Setting up pkgconf:arm64 (1.8.1-4) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up dh-autoreconf (20) ... Setting up libthai0:arm64 (0.1.29-2+b1) ... Setting up ca-certificates (20240203) ... Updating certificates in /etc/ssl/certs... 146 added, 0 removed; done. Setting up libxdmcp-dev:arm64 (1:1.1.5-1) ... Setting up libxml2-dev:arm64 (2.12.7+dfsg+really2.9.14-0.2+b1) ... Setting up libptexenc1:arm64 (2024.20240313.70630+ds-5) ... Setting up pandoc (3.1.11.1+ds-2) ... Setting up libfreetype6:arm64 (2.13.3+dfsg-1) ... Setting up ssl-cert (1.1.3) ... hostname: Name or service not known make-ssl-cert: Could not get FQDN, using 'codethink03-arm64'. make-ssl-cert: You may want to fix your /etc/hosts and/or DNS setup and run make-ssl-cert: 'make-ssl-cert generate-default-snakeoil --force-overwrite' make-ssl-cert: again. Setting up libboost-date-time1.83-dev:arm64 (1.83.0-4) ... Setting up x11proto-core-dev (2024.1-1) ... Setting up shared-mime-info (2.4-5+b1) ... Setting up libboost-numpy-dev (1.83.0.2+b2) ... Setting up libeigen3-dev (3.4.0-4) ... Setting up libgssapi-krb5-2:arm64 (1.21.3-3) ... Setting up libboost-regex1.83-dev:arm64 (1.83.0-4) ... Setting up ucf (3.0045) ... Setting up libjs-sphinxdoc (8.1.3-2) ... Setting up libreadline8t64:arm64 (8.2-6) ... Setting up dh-strip-nondeterminism (1.14.0-1) ... Setting up groff-base (1.23.0-6) ... Setting up xml-core (0.19) ... Setting up libharfbuzz0b:arm64 (10.1.0-1) ... Setting up libgdk-pixbuf-2.0-0:arm64 (2.42.12+dfsg-1+b1) ... Setting up llvm-19-linker-tools (1:19.1.5-1) ... Setting up libfontconfig1:arm64 (2.15.0-1.1+b1) ... Setting up libcoordgen-dev:arm64 (3.0.2-1+b2) ... Setting up llvm-19-runtime (1:19.1.5-1) ... Setting up libboost-regex-dev:arm64 (1.83.0.2+b2) ... Setting up libsm6:arm64 (2:1.2.4-1) ... Setting up libarchive13t64:arm64 (3.7.4-1.1) ... Setting up libmount-dev:arm64 (2.40.2-12) ... Setting up libclang-cpp19 (1:19.1.5-1) ... Setting up libboost-thread1.83-dev:arm64 (1.83.0-4) ... Setting up libpaper1:arm64 (1.1.29+b2) ... Creating config file /etc/papersize with new version Setting up fontconfig (2.15.0-1.1+b1) ... Regenerating fonts cache... done. Setting up libgio-2.0-dev:arm64 (2.82.4-1) ... Setting up girepository-tools:arm64 (2.82.4-1) ... Setting up libxcb1-dev:arm64 (1.17.0-2+b1) ... Setting up libxi6:arm64 (2:1.8.2-1) ... Setting up libcurl4t64:arm64 (8.11.1-1) ... Setting up libtirpc3t64:arm64 (1.3.4+ds-1.3+b1) ... Setting up libsm-dev:arm64 (2:1.2.4-1) ... Setting up libboost-iostreams1.83-dev:arm64 (1.83.0-4) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libpango-1.0-0:arm64 (1.55.0+ds-3) ... Setting up libpq5:arm64 (17.2-1) ... Setting up libx11-dev:arm64 (2:1.8.10-2) ... Setting up libpq-dev (17.2-1) ... Setting up libpaper-utils (1.1.29+b2) ... Setting up libboost-iostreams-dev:arm64 (1.83.0.2+b2) ... Setting up xfonts-utils (1:7.7+7) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up clang-19 (1:19.1.5-1) ... Setting up libcairo2:arm64 (1.18.2-2) ... Setting up libfreetype-dev:arm64 (2.13.3+dfsg-1) ... Setting up tex-common (6.18) ... update-language: texlive-base not installed and configured, doing nothing! Setting up libxcb-shm0-dev:arm64 (1.17.0-2+b1) ... Setting up doxygen (1.9.8+ds-2+b3) ... Setting up libraqm0:arm64 (0.10.2-1) ... Setting up sphinx-common (8.1.3-2) ... Setting up libxt6t64:arm64 (1:1.2.1-1.2+b1) ... Setting up postgresql-common (267) ... Creating config file /etc/postgresql-common/createcluster.conf with new version Building PostgreSQL dictionaries from installed myspell/hunspell packages... Removing obsolete dictionary files: invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up libxcb-render0-dev:arm64 (1.17.0-2+b1) ... Setting up libxext-dev:arm64 (2:1.3.4-1+b2) ... Setting up libnsl2:arm64 (1.3.0-3+b3) ... Setting up cmake (3.31.2-1) ... Setting up libcairo-gobject2:arm64 (1.18.2-2) ... Setting up llvm-19 (1:19.1.5-1) ... Setting up libpangoft2-1.0-0:arm64 (1.55.0+ds-3) ... Setting up libxrender-dev:arm64 (1:0.9.10-1.1+b3) ... Setting up tex-gyre (20180621-6) ... Setting up libboost-thread-dev:arm64 (1.83.0.2+b2) ... Setting up libpangocairo-1.0-0:arm64 (1.55.0+ds-3) ... Setting up libcairo-script-interpreter2:arm64 (1.18.2-2) ... Setting up libxmu6:arm64 (2:1.1.3-3+b3) ... Setting up libpython3.12-stdlib:arm64 (3.12.8-3) ... Setting up postgresql-client-17 (17.2-1) ... update-alternatives: using /usr/share/postgresql/17/man/man1/psql.1.gz to provide /usr/share/man/man1/psql.1.gz (psql.1.gz) in auto mode Setting up libfontconfig-dev:arm64 (2.15.0-1.1+b1) ... Setting up preview-latex-style (13.2-1) ... Setting up python3.12 (3.12.8-3) ... Setting up debhelper (13.21) ... Setting up libxaw7:arm64 (2:1.0.16-1) ... Setting up librsvg2-2:arm64 (2.59.2+dfsg-1) ... Setting up libpython3.12t64:arm64 (3.12.8-3) ... Setting up texlive-binaries (2024.20240313.70630+ds-5) ... update-alternatives: using /usr/bin/xdvi-xaw to provide /usr/bin/xdvi.bin (xdvi.bin) in auto mode update-alternatives: using /usr/bin/bibtex.original to provide /usr/bin/bibtex (bibtex) in auto mode Setting up texlive-base (2024.20241115-1) ... tl-paper: setting paper size for dvips to a4: /var/lib/texmf/dvips/config/config-paper.ps tl-paper: setting paper size for dvipdfmx to a4: /var/lib/texmf/dvipdfmx/dvipdfmx-paper.cfg tl-paper: setting paper size for xdvi to a4: /var/lib/texmf/xdvi/XDvi-paper tl-paper: setting paper size for pdftex to a4: /var/lib/texmf/tex/generic/tex-ini-files/pdftexconfig.tex Setting up libpython3-stdlib:arm64 (3.12.7-1) ... Setting up librsvg2-bin (2.59.2+dfsg-1) ... Setting up python3 (3.12.7-1) ... Setting up libpython3.12-dev:arm64 (3.12.8-3) ... Setting up python3-zipp (3.21.0-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up python3-markupsafe (2.1.5-1+b3) ... Setting up python3-tz (2024.2-1) ... Setting up python3-pil:arm64 (10.4.0-1+b1) ... Setting up python3-roman (4.2-1) ... Setting up python3-jinja2 (3.1.3-1.1) ... Setting up python3-packaging (24.2-1) ... Setting up texlive-latex-base (2024.20241115-1) ... Setting up python3-certifi (2024.8.30+dfsg-1) ... Setting up python3-snowballstemmer (2.2.0-4) ... Setting up python3-mdurl (0.1.2-1) ... Setting up texlive-latex-recommended (2024.20241115-1) ... Setting up python3-greenlet (3.1.0-1+b1) ... Setting up python3-idna (3.8-2) ... Setting up python3.12-dev (3.12.8-3) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up texlive-pictures (2024.20241115-1) ... Setting up python3-urllib3 (2.2.3-4) ... Setting up python3-pluggy (1.5.0-1) ... Setting up python3-markdown-it (3.0.0-2) ... Setting up texlive-fonts-recommended (2024.20241115-1) ... Setting up python3-dateutil (2.9.0-3) ... Setting up python3-imagesize (1.4.1-1) ... Setting up python3-commonmark (0.9.1-7) ... Setting up python3-more-itertools (10.5.0-1) ... Setting up python3-iniconfig (1.1.1-2) ... Setting up libgio-2.0-dev-bin (2.82.4-1) ... Setting up libpython3-dev:arm64 (3.12.7-1) ... Setting up python3-jaraco.functools (4.1.0-1) ... Setting up python3-jaraco.context (6.0.0-1) ... Setting up python3-defusedxml (0.7.1-3) ... Setting up python3-charset-normalizer (3.4.0-1+b1) ... Setting up python3-pytest (8.3.4-1) ... Setting up python3-alabaster (0.7.16-0.1) ... Setting up python3-typeguard (4.4.1-1) ... Setting up python3-mdit-py-plugins (0.4.2-1) ... Setting up latexmk (1:4.85-1) ... Setting up python3-yaml (6.0.2-1+b1) ... Setting up texlive-latex-extra (2024.20241115-1) ... Setting up python3-sqlalchemy (2.0.32+ds1-1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-dev (3.12.7-1) ... Setting up libboost-python1.83-dev (1.83.0-4) ... Setting up python3-pkg-resources (75.6.0-1) ... Setting up libglib2.0-dev-bin (2.82.4-1) ... Setting up python3-setuptools (75.6.0-1) ... Setting up python3-babel (2.16.0-1) ... update-alternatives: using /usr/bin/pybabel-python3 to provide /usr/bin/pybabel (pybabel) in auto mode Setting up libboost-python-dev (1.83.0.2+b2) ... Setting up python3-pygments (2.18.0+dfsg-1) ... Setting up python3-chardet (5.2.0+dfsg-1) ... Setting up libglib2.0-dev:arm64 (2.82.4-1) ... Setting up python3-requests (2.32.3+dfsg-1) ... Setting up python3-numpy (1:1.26.4+ds-12) ... Setting up libcairo2-dev:arm64 (1.18.2-2) ... Setting up llvm-19-tools (1:19.1.5-1) ... Setting up dh-python (6.20241217) ... Setting up python3-pandas-lib:arm64 (2.2.3+dfsg-5+b1) ... Setting up python3-pandas (2.2.3+dfsg-5) ... Setting up llvm-19-dev (1:19.1.5-1) ... Setting up postgresql-server-dev-17 (17.2-1) ... Setting up postgresql-server-dev-all:arm64 (267) ... Setting up libheif-plugin-dav1d:arm64 (1.19.3-1) ... Setting up libheif-plugin-libde265:arm64 (1.19.3-1) ... Setting up libheif1:arm64 (1.19.3-1) ... Setting up libmagickcore-7.q16-10:arm64 (8:7.1.1.39+dfsg1-3) ... Setting up libmagickwand-7.q16-10:arm64 (8:7.1.1.39+dfsg1-3) ... Setting up imagemagick-7.q16 (8:7.1.1.39+dfsg1-3) ... update-alternatives: using /usr/bin/compare-im7.q16 to provide /usr/bin/compare (compare) in auto mode update-alternatives: using /usr/bin/compare-im7.q16 to provide /usr/bin/compare-im7 (compare-im7) in auto mode update-alternatives: using /usr/bin/animate-im7.q16 to provide /usr/bin/animate (animate) in auto mode update-alternatives: using /usr/bin/animate-im7.q16 to provide /usr/bin/animate-im7 (animate-im7) in auto mode update-alternatives: using /usr/bin/convert-im7.q16 to provide /usr/bin/convert (convert) in auto mode update-alternatives: using /usr/bin/convert-im7.q16 to provide /usr/bin/convert-im7 (convert-im7) in auto mode update-alternatives: using /usr/bin/composite-im7.q16 to provide /usr/bin/composite (composite) in auto mode update-alternatives: using /usr/bin/composite-im7.q16 to provide /usr/bin/composite-im7 (composite-im7) in auto mode update-alternatives: using /usr/bin/conjure-im7.q16 to provide /usr/bin/conjure (conjure) in auto mode update-alternatives: using /usr/bin/conjure-im7.q16 to provide /usr/bin/conjure-im7 (conjure-im7) in auto mode update-alternatives: using /usr/bin/import-im7.q16 to provide /usr/bin/import (import) in auto mode update-alternatives: using /usr/bin/import-im7.q16 to provide /usr/bin/import-im7 (import-im7) in auto mode update-alternatives: using /usr/bin/identify-im7.q16 to provide /usr/bin/identify (identify) in auto mode update-alternatives: using /usr/bin/identify-im7.q16 to provide /usr/bin/identify-im7 (identify-im7) in auto mode update-alternatives: using /usr/bin/stream-im7.q16 to provide /usr/bin/stream (stream) in auto mode update-alternatives: using /usr/bin/stream-im7.q16 to provide /usr/bin/stream-im7 (stream-im7) in auto mode update-alternatives: using /usr/bin/display-im7.q16 to provide /usr/bin/display (display) in auto mode update-alternatives: using /usr/bin/display-im7.q16 to provide /usr/bin/display-im7 (display-im7) in auto mode update-alternatives: using /usr/bin/montage-im7.q16 to provide /usr/bin/montage (montage) in auto mode update-alternatives: using /usr/bin/montage-im7.q16 to provide /usr/bin/montage-im7 (montage-im7) in auto mode update-alternatives: using /usr/bin/mogrify-im7.q16 to provide /usr/bin/mogrify (mogrify) in auto mode update-alternatives: using /usr/bin/mogrify-im7.q16 to provide /usr/bin/mogrify-im7 (mogrify-im7) in auto mode update-alternatives: using /usr/bin/magick-im7.q16 to provide /usr/bin/magick (magick) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/magick.1.gz because associated file /usr/share/man/man1/magick-im7.q16.1.gz (of link group magick) doesn't exist update-alternatives: using /usr/bin/magick-im7.q16 to provide /usr/bin/magick-im7 (magick-im7) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/magick-im7.1.gz because associated file /usr/share/man/man1/magick-im7.q16.1.gz (of link group magick-im7) doesn't exist update-alternatives: using /usr/bin/magick-script-im7.q16 to provide /usr/bin/magick-script (magick-script) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/magick-script.1.gz because associated file /usr/share/man/man1/magick-script-im7.q16.1.gz (of link group magick-script) doesn't exist update-alternatives: using /usr/bin/magick-script-im7.q16 to provide /usr/bin/magick-script-im7 (magick-script-im7) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/magick-script-im7.1.gz because associated file /usr/share/man/man1/magick-script-im7.q16.1.gz (of link group magick-script-im7) doesn't exist Setting up imagemagick (8:7.1.1.39+dfsg1-3) ... Processing triggers for libc-bin (2.40-4) ... Processing triggers for sgml-base (1.31) ... Setting up docutils-common (0.21.2+dfsg-2) ... Processing triggers for sgml-base (1.31) ... Setting up python3-docutils (0.21.2+dfsg-2) ... Setting up python3-sphinx (8.1.3-2) ... Setting up python3-myst-parser (4.0.0-1) ... Setting up python3-recommonmark (0.7.1+ds-5) ... /usr/lib/python3/dist-packages/recommonmark/transform.py:254: SyntaxWarning: invalid escape sequence '\w' match = re.search('[ ]?[\w_-]+::.*', language) Processing triggers for ca-certificates (20240203) ... Updating certificates in /etc/ssl/certs... 0 added, 0 removed; done. Running hooks in /etc/ca-certificates/update.d... done. Processing triggers for tex-common (6.18) ... Running updmap-sys. This may take some time... done. Running mktexlsr /var/lib/texmf ... done. Building format(s) --all. This may take some time... done. Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/reproducible-path/rdkit-202409.2/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../rdkit_202409.2-2_source.changes dpkg-buildpackage: info: source package rdkit dpkg-buildpackage: info: source version 202409.2-2 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Michael Banck dpkg-source --before-build . dpkg-buildpackage: info: host architecture arm64 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-202409.2' find /build/reproducible-path/rdkit-202409.2 -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-202409.2/Code/PgSQL/rdkit/build-* make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.2' dh_autoreconf_clean -O--buildsystem=cmake dh_clean -O--buildsystem=cmake debian/rules binary dh binary --with python3 --buildsystem=cmake dh_update_autotools_config -O--buildsystem=cmake dh_autoreconf -O--buildsystem=cmake debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/rdkit-202409.2' 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 -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/17/server" -DPYTHON_EXECUTABLE=/usr/bin/python3.12 ../ cd obj-aarch64-linux-gnu && DEB_PYTHON_INSTALL_LAYOUT=deb PKG_CONFIG=/usr/bin/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_INSTALL_LIBDIR=lib/aarch64-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 -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/17/server -DPYTHON_EXECUTABLE=/usr/bin/python3.12 ../ .. -- The C compiler identification is GNU 14.2.0 -- The CXX compiler identification is GNU 14.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found Inchi: /usr/lib/aarch64-linux-gnu/libinchi.so -- Found Python3: /usr/bin/python3 (found version "3.12.8") found components: Interpreter Development.Module NumPy Python Install directory /usr/lib/python3.12/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/aarch64-linux-gnu/libpq.so (found version "17.2") == Using strict rotor definition CMake Warning (dev) at External/INCHI-API/CMakeLists.txt:98 (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. -- maeparser include dir set as '/usr/include' -- maeparser libraries set as '/usr/lib/aarch64-linux-gnu/libmaeparser.so' -- coordgen include dir set as /usr/include -- coordgen libraries set as '/usr/lib/aarch64-linux-gnu/libcoordgen.so' -- Found Python3: /usr/bin/python3 (found version "3.12.8") found components: Interpreter -- Found PkgConfig: /usr/bin/pkg-config (found version "1.8.1") -- Found Cairo: /usr/include/cairo -- Found Freetype: /usr/lib/aarch64-linux-gnu/libfreetype.so (found version "2.13.3") postgres: /usr/include/postgresql;/usr/include/postgresql/17/server -- Configuring done (3.7s) -- Generating done (1.0s) 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 PYTHON_EXECUTABLE -- Build files have been written to: /build/reproducible-path/rdkit-202409.2/obj-aarch64-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 14.2.0 -- The CXX compiler identification is GNU 14.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found PostgreSQL: /usr/lib/aarch64-linux-gnu/libpq.so (found version "17.2") postgres: /usr/include/postgresql;/usr/include/postgresql/17/server -- Configuring done (1.4s) -- Generating done (0.0s) -- Build files have been written to: /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17 make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.2' debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/rdkit-202409.2' dh_auto_build cd obj-aarch64-linux-gnu && make -j12 "INSTALL=install --strip-program=true" VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/rdkit-202409.2 -B/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/CMakeFiles /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//CMakeFiles/progress.marks make -f 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/RDGeneral /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/RDGeneral.dir/DependInfo.cmake "--color=" make -f External/CoordGen/CMakeFiles/coordgen_support.dir/build.make External/CoordGen/CMakeFiles/coordgen_support.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/External/CoordGen /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/CoordGen /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/CoordGen/CMakeFiles/coordgen_support.dir/DependInfo.cmake "--color=" make -f External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build.make External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/depend make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/External/RingFamilies /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/RingFamilies 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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++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/types.cpp.o -MF CMakeFiles/RDGeneral.dir/types.cpp.o.d -o CMakeFiles/RDGeneral.dir/types.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/types.cpp [ 0%] Built target coordgen_support make -f External/GA/CMakeFiles/ga.dir/build.make External/GA/CMakeFiles/ga.dir/build [ 0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/RDGeneral/CMakeFiles/rdkitCatch.dir/build.make Code/RDGeneral/CMakeFiles/rdkitCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make[4]: Nothing to be done for 'External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build'. make[4]: Leaving directory 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-I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o -MF CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o.d -o CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o -c /build/reproducible-path/rdkit-202409.2/External/GA/ga/IntegerStringChromosomePolicy.cpp /usr/bin/cc -fPIC -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -Wl,--dependency-file=CMakeFiles/hc.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKithc.so.1 -o ../../../../lib/libRDKithc.so.1.2024.09.2 CMakeFiles/hc.dir/hc.c.o CMakeFiles/hc.dir/hcdriver.c.o /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_symlink_library ../../../../lib/libRDKithc.so.1.2024.09.2 ../../../../lib/libRDKithc.so.1 ../../../../lib/libRDKithc.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 1%] Built target hc [ 1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/RandomUtil.cpp.o -MF CMakeFiles/ga.dir/util/RandomUtil.cpp.o.d -o CMakeFiles/ga.dir/util/RandomUtil.cpp.o -c /build/reproducible-path/rdkit-202409.2/External/GA/util/RandomUtil.cpp [ 1%] Building CXX object External/GA/CMakeFiles/ga.dir/util/Util.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/RDGeneral /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/testRDValue.dir/DependInfo.cmake "--color=" make -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/RDGeneral 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/DataStructs/DiscreteValueVect.cpp [ 5%] Linking CXX executable testMatrices cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatrices.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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-O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/DataStructs/MultiFPBReader.cpp [ 5%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/SimDivPickers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat 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-I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -MF CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o.d -o CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/testPickers.cpp [ 5%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/Clustering.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 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/usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 5%] Built target testSimDivPickers [ 5%] Linking CXX executable testDict cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDict.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/testDict.dir/link.d CMakeFiles/testDict.dir/testDict.cpp.o -o testDict ../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 5%] Built target testDict [ 6%] Linking CXX shared library ../../lib/libRDKitDataStructs.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/DataStructs.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/DataStructs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared 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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/DependInfo.cmake "--color=" 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 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/usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 8%] Built target pickersTestsCatch [ 8%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/Wrap/LeaderPicker.cpp [ 8%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeometryLib.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDGeometryLib.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDGeometryLib.so.1 -o ../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 CMakeFiles/RDGeometryLib.dir/point.cpp.o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o ../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Atom.cpp [ 8%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so cd 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Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/wrap_SparseBV.cpp [ 8%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_link_script CMakeFiles/InfoTheory.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o -MF CMakeFiles/testTransforms.dir/testTransforms.cpp.o.d -o CMakeFiles/testTransforms.dir/testTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/Geometry/testTransforms.cpp [ 8%] Linking CXX executable testFPB cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFPB.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/testFPB.dir/link.d CMakeFiles/testFPB.dir/testFPB.cpp.o -o testFPB ../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 8%] Built target testFPB make -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/Geometry 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-DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o -MF CMakeFiles/testGrid.dir/testGrid.cpp.o.d -o CMakeFiles/testGrid.dir/testGrid.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/Geometry/testGrid.cpp [ 8%] Linking CXX executable testMultiFPB cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultiFPB.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/testMultiFPB.dir/link.d CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -o testMultiFPB ../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 8%] Built target testMultiFPB make -f Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build.make Code/Geometry/CMakeFiles/geometryTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/Geometry /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry/CMakeFiles/geometryTestsCatch.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build.make Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 8%] Building CXX object Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/Geometry/catch_tests.cpp /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkDice(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:193:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = int]' 193 | python::def("BulkDiceSimilarity", &BulkDice>, | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 194 | (python::args("v1"), python::args("v2"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 195 | python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 196 | "return the Dice similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 197 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:222:26: required from here 222 | wrapOne("IntSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:77:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 77 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:77:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 77 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTanimoto(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:203:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = int]' 203 | python::def("BulkTanimotoSimilarity", | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 204 | &BulkTanimoto>, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 205 | (python::args("v1"), python::args("v2"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 206 | python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 207 | "return the Tanimoto similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 208 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:222:26: required from here 222 | wrapOne("IntSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:90:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 90 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:90:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 90 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTversky(const T&, boost::python::list, double, double, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:214:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = int]' 214 | python::def("BulkTverskySimilarity", &BulkTversky>, | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 215 | (python::args("v1"), python::args("v2"), python::args("a"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 216 | python::args("b"), python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 217 | "return the Tversky similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 218 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:222:26: required from here 222 | wrapOne("IntSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:104:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 104 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:104:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 104 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkDice(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:193:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long int]' 193 | python::def("BulkDiceSimilarity", &BulkDice>, | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 194 | (python::args("v1"), python::args("v2"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 195 | python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 196 | "return the Dice similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 197 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:223:28: required from here 223 | wrapOne("LongSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:77:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 77 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:77:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 77 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTanimoto(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:203:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long int]' 203 | python::def("BulkTanimotoSimilarity", | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 204 | &BulkTanimoto>, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 205 | (python::args("v1"), python::args("v2"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 206 | python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 207 | "return the Tanimoto similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 208 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:223:28: required from here 223 | wrapOne("LongSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:90:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 90 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:90:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 90 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTversky(const T&, boost::python::list, double, double, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:214:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long int]' 214 | python::def("BulkTverskySimilarity", &BulkTversky>, | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 215 | (python::args("v1"), python::args("v2"), python::args("a"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 216 | python::args("b"), python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 217 | "return the Tversky similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 218 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:223:28: required from here 223 | wrapOne("LongSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:104:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 104 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:104:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 104 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkDice(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:193:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = unsigned int]' 193 | python::def("BulkDiceSimilarity", &BulkDice>, | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 194 | (python::args("v1"), python::args("v2"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 195 | python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 196 | "return the Dice similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 197 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:224:27: required from here 224 | wrapOne("UIntSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:77:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 77 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:77:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 77 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTanimoto(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:203:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = unsigned int]' 203 | python::def("BulkTanimotoSimilarity", | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 204 | &BulkTanimoto>, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 205 | (python::args("v1"), python::args("v2"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 206 | python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 207 | "return the Tanimoto similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 208 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:224:27: required from here 224 | wrapOne("UIntSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:90:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 90 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:90:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 90 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTversky(const T&, boost::python::list, double, double, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:214:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = unsigned int]' 214 | python::def("BulkTverskySimilarity", &BulkTversky>, | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 215 | (python::args("v1"), python::args("v2"), python::args("a"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 216 | python::args("b"), python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 217 | "return the Tversky similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 218 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:224:27: required from here 224 | wrapOne("UIntSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:104:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 104 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:104:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 104 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkDice(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:193:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long unsigned int]' 193 | python::def("BulkDiceSimilarity", &BulkDice>, | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 194 | (python::args("v1"), python::args("v2"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 195 | python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 196 | "return the Dice similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 197 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:225:29: required from here 225 | wrapOne("ULongSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:77:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 77 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:77:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 77 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTanimoto(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:203:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long unsigned int]' 203 | python::def("BulkTanimotoSimilarity", | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 204 | &BulkTanimoto>, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 205 | (python::args("v1"), python::args("v2"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 206 | python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 207 | "return the Tanimoto similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 208 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:225:29: required from here 225 | wrapOne("ULongSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:90:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 90 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:90:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 90 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTversky(const T&, boost::python::list, double, double, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:214:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long unsigned int]' 214 | python::def("BulkTverskySimilarity", &BulkTversky>, | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 215 | (python::args("v1"), python::args("v2"), python::args("a"), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 216 | python::args("b"), python::args("returnDistance") = false), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 217 | "return the Tversky similarities between one vector and a " | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 218 | "sequence of others"); | ~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:225:29: required from here 225 | wrapOne("ULongSparseIntVect"); | ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:104:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 104 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/SparseIntVect.cpp:104:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::boost::python::converter::extract_rvalue >.boost::python::converter::extract_rvalue >::operator()()' 104 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ [ 8%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD 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/build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/wrap_BitOps.cpp [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 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../../../lib/libRDKitRDBoost.so.1.2024.09.2 ../../../lib/libRDKithc.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl [ 12%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/QueryBond.cpp [ 12%] Built target rdSimDivPickers [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o -MF CMakeFiles/GraphMol.dir/Bond.cpp.o.d -o CMakeFiles/GraphMol.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Bond.cpp [ 13%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/Geometry/Wrap/UniformGrid3D.cpp [ 13%] Linking CXX shared library 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/usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitChemicalFeatures.so.1.2024.09.2 ../../lib/libRDKitChemicalFeatures.so.1 ../../lib/libRDKitChemicalFeatures.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 13%] Built target ChemicalFeatures make -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/ChemicalFeatures 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o -MF CMakeFiles/GraphMol.dir/MolOps.cpp.o.d -o CMakeFiles/GraphMol.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolOps.cpp [ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB 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CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/ML/InfoTheory/Wrap/BitCorrMatGenerator.cpp [ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -MF CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/ML/InfoTheory/Wrap/rdInfoTheory.cpp [ 13%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ML/Data && /usr/bin/cmake -E 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/usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 13%] Built target cQuantize [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 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../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 13%] Built target testChemicalFeatures [ 13%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/RWMol.cpp [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/PeriodicTable.cpp /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FindRings.cpp: In function 'void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&)': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FindRings.cpp:1342:36: warning: unused parameter 'mol' [-Wunused-parameter] 1342 | void findRingFamilies(const ROMol &mol) { | ~~~~~~~~~~~~~^~~ In file included from /usr/include/c++/14/bits/stl_algobase.h:64, from /usr/include/c++/14/bits/stl_tree.h:63, from /usr/include/c++/14/map:62, from /build/reproducible-path/rdkit-202409.2/Code/GraphMol/PeriodicTable.h:14, from /build/reproducible-path/rdkit-202409.2/Code/GraphMol/PeriodicTable.cpp:11: /usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair::type>::__type, typename std::__strip_reference_wrapper::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp2>::type = double]': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/PeriodicTable.cpp:96:57: required from here 96 | adata.d_isotopeInfoMap[isotope] = std::make_pair(mass, abundance); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ /usr/include/c++/14/bits/stl_pair.h:1132:5: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 1132 | make_pair(_T1&& __x, _T2&& __y) | ^~~~~~~~~ [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/atomic_data.cpp [ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o -MF CMakeFiles/GraphMol.dir/QueryOps.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryOps.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryOps.cpp [ 13%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdInfoTheory.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdInfoTheory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Canon.cpp [ 14%] Linking CXX shared module ../../../rdkit/DataStructs/cDataStructs.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/cDataStructs.dir/link.txt --verbose=1 [ 14%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so cd 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-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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -MF CMakeFiles/GraphMol.dir/AtomIterators.cpp.o.d -o 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/usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Aromaticity.cpp [ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION 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comparison is always false due to limited range of data type [-Wtype-limits] 72 | if (res < 0) { | ~~~~^~~ [ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 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-I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Conformer.cpp [ 15%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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-I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/AdjustQuery.cpp [ 15%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS 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/usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 15%] Built target rdBase [ 15%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MonomerInfo.cpp [ 15%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o -MF CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o.d -o CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/NontetrahedralStereo.cpp [ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Atropisomers.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Atropisomers.cpp [ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD 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/build/reproducible-path/rdkit-202409.2/Code/GraphMol/WedgeBonds.cpp [ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolProps.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolProps.cpp [ 16%] Linking CXX shared library ../../lib/libRDKitGraphMol.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/GraphMol.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Subgraphs/Subgraphs.cpp [ 18%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS 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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++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolCatalog/MolCatalogEntry.cpp [ 18%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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 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-I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Subgraphs/SubgraphUtils.cpp /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 19%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/build/reproducible-path/rdkit-202409.2/External/rapidjson-1.1.0/include -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o -MF CMakeFiles/MolInterchange.dir/Parser.cpp.o.d -o CMakeFiles/MolInterchange.dir/Parser.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolInterchange/Parser.cpp [ 19%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/Trajectory.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 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-I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/SLNParse/SLNParse.cpp [ 19%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolCatalog.so.1 -o ../../../lib/libRDKitMolCatalog.so.1.2024.09.2 CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolCatalog.so.1.2024.09.2 ../../../lib/libRDKitMolCatalog.so.1 ../../../lib/libRDKitMolCatalog.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 19%] Built target MolCatalog make -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu 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/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/rdqueries.cpp [ 19%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/SmilesParse/CXSmilesOps.cpp [ 19%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/PartialCharges.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 20%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/Trajectory.cpp [ 20%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -MF CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o.d -o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.cpp [ 20%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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-DrdChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/ChemicalFeatures/Wrap/rdChemicalFeatures.cpp [ 20%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/SmilesParse/smarts.tab.cpp [ 20%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1 [ 20%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -MF 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/usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 20%] Built target MolTransforms 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 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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-202409.2/Code/GraphMol/Substruct/SubstructMatch.cpp [ 20%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/smiles.tab.cpp [ 20%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script 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-ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 20%] Built target Subgraphs 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/Optimizer 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cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o -MF CMakeFiles/rdqueries.dir/Queries.cpp.o.d -o CMakeFiles/rdqueries.dir/Queries.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/Queries.cpp [ 20%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/Numerics/Optimizer/LinearSearch.cpp [ 21%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o -MF CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o.d -o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/ChemicalFeatures/Wrap/FreeChemicalFeature.cpp [ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/CIPLabeler/Digraph.cpp [ 21%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/Optimizer.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Optimizer.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitOptimizer.so.1 -o ../../../lib/libRDKitOptimizer.so.1.2024.09.2 CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o ../../../lib/libRDKitTrajectory.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitOptimizer.so.1.2024.09.2 ../../../lib/libRDKitOptimizer.so.1 ../../../lib/libRDKitOptimizer.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 21%] Built target Optimizer make -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/depend make[4]: Entering directory 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Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdPartialCharges_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/SmilesParse/lex.yysmiles.cpp [ 22%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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-I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/rdTrajectory.cpp [ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && 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-fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/CIPLabeler/Node.cpp [ 23%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o -MF CMakeFiles/SLNParse.dir/sln.tab.cpp.o.d -o CMakeFiles/SLNParse.dir/sln.tab.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SLNParse/sln.tab.cpp [ 23%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 23%] Building CXX object 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target rdPartialCharges make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f 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-I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o -MF CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o.d -o CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.cpp [ 23%] Built target rdtrajectory make -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/depend 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Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -MF CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o.d -o CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/Numerics/Optimizer/testOptimizer.cpp [ 24%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 24%] Built target rdChemicalFeatures make -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/ForceField /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField/CMakeFiles/ForceField.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/build make[4]: 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-ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/ForceField/ForceField.cpp [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/CIPLabeler/Edge.cpp [ 24%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Substruct/SubstructUtils.cpp [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/CIPLabeler/Sort.cpp [ 24%] Linking CXX executable testOptimizer cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/testOptimizer.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testOptimizer.dir/link.d CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -o testOptimizer ../../../lib/libRDKitOptimizer.so.1.2024.09.2 ../../../lib/libRDKitTrajectory.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 24%] Built target testOptimizer [ 24%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/ForceField/AngleConstraint.cpp [ 24%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/SLNParse/lex.yysln.cpp [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/CIPLabeler/configs/Configuration.cpp [ 24%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp [ 24%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdqueries.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdqueries.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/Chem/rdqueries.so CMakeFiles/rdqueries.dir/rdqueries.cpp.o CMakeFiles/rdqueries.dir/Queries.cpp.o ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDBoost.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 24%] Built target rdqueries [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp [ 24%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SmilesParse.dir/link.txt --verbose=1 [ 24%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/cptest.cpp [ 24%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o -MF CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/ForceField/DistanceConstraint.cpp [ 24%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.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++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o -MF CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/ForceField/DistanceConstraints.cpp [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp [ 24%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/ForceField/PositionConstraint.cpp [ 24%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/ForceField/TorsionConstraint.cpp [ 24%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SLNParse.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SLNParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSLNParse.so.1 -o ../../../lib/libRDKitSLNParse.so.1.2024.09.2 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.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 25%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/itertest.cpp [ 25%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 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/usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2024.09.2 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 25%] Built target ShapeHelpers make -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu 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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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/memtest1.cpp [ 25%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so cd 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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-202409.2/Code/ForceField/UFF/Nonbonded.cpp [ 27%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o 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-mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Inversion.cpp [ 27%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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-I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o -MF CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o.d -o CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/v2catch_tests.cpp [ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK 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-I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Inversions.cpp [ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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-I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp [ 28%] Linking CXX executable graphmolIterTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolIterTest.dir/link.txt --verbose=1 /usr/bin/c++ -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++17 -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-202409.2/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp [ 28%] Linking CXX executable queryTestsCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/queryTestsCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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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molbundleTestsCatch ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../lib/libRDKitGraphMol.so.1.2024.09.2 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 28%] Built target molbundleTestsCatch 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 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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-202409.2/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp [ 28%] Linking CXX executable smiTest2 cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest2.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/smiTest2.dir/link.d CMakeFiles/smiTest2.dir/test2.cpp.o -o smiTest2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 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CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/FragCatGenerator.cpp [ 31%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/CIPLabeler.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCIPLabeler.so.1 -o ../../../lib/libRDKitCIPLabeler.so.1.2024.09.2 CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp [ 31%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o cd 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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++17 -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 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolChemicalFeatures/FeatureParser.cpp [ 31%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/ReducedGraphs.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 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/usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 31%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT 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-DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o -MF CMakeFiles/smaTest1.dir/smatest.cpp.o.d -o CMakeFiles/smaTest1.dir/smatest.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/smatest.cpp [ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so cd 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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-202409.2/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp [ 32%] Linking CXX executable moliteratorTestsCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/moliteratorTestsCatch.dir/link.txt --verbose=1 [ 33%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT 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Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DAbbreviations_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Abbreviations/AbbreviationsUtils.cpp [ 33%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FilterCatalog.cpp [ 33%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolChemicalFeatures.so.1 -o ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.2 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.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.2 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so [ 33%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FilterCatalogEntry.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 33%] Built target MolChemicalFeatures 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' [ 33%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -MF CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o.d -o CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp [ 33%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FragCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFragCatalog.so.1 -o ../../../lib/libRDKitFragCatalog.so.1.2024.09.2 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.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2024.09.2 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 33%] Built target FragCatalog make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 33%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp [ 33%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1 [ 33%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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 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Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat 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-DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o -MF CMakeFiles/Depictor.dir/Templates.cpp.o.d -o CMakeFiles/Depictor.dir/Templates.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/Templates.cpp [ 35%] Linking CXX executable smaTest1 cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script 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/usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 35%] Built target smaTest1 [ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Fingerprints/MHFP.cpp /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp: In function 'void RDKit::MMFF::Tools::addStretchBend(const RDKit::ROMol&, RDKit::MMFF::MMFFMolProperties*, ForceFields::ForceField*)': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp:419:68: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 419 | MMFF::Utils::calcStbnForceConstants(&mmffStbnParams); | ^ [ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT 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-202409.2/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp [ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp [ 35%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK 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Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -MF CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp [ 35%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp [ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp [ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Fingerprints/MorganGenerator.cpp [ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.cpp [ 36%] Linking CXX shared library ../../../lib/libRDKitDepictor.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/Depictor.dir/link.txt --verbose=1 [ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Depictor.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDepictor.so.1 -o ../../../lib/libRDKitDepictor.so.1.2024.09.2 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/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 36%] Built target Depictor 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 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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++17 -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-202409.2/Code/GraphMol/ChemTransforms/ChemTransforms.cpp [ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT 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/usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 37%] Built target rdMolChemicalFeatures 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/DependInfo.cmake "--color=" make[4]: Leaving directory 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDepictor_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp make -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make 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Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o -MF CMakeFiles/MolHash.dir/hashfunctions.cpp.o.d -o CMakeFiles/MolHash.dir/hashfunctions.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolHash/hashfunctions.cpp [ 37%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FilterCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FilterCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFilterCatalog.so.1 -o ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 CMakeFiles/FilterCatalog.dir/Filters.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 37%] Built target FilterCatalog 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 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-DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp [ 38%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp [ 38%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolHash/normalize.cpp [ 38%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ForceFieldHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceFieldHelpers.so.1 -o ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.2 CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitForceField.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitOptimizer.so.1.2024.09.2 ../../../lib/libRDKitTrajectory.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.2 ../../../lib/libRDKitForceFieldHelpers.so.1 ../../../lib/libRDKitForceFieldHelpers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 38%] Built target ForceFieldHelpers make -f Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build.make 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Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/ForceField/catch_tests.cpp make -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/DistGeom /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DistGeom 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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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -MF CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/DistGeom/DistGeomUtils.cpp [ 38%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT 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-202409.2/Code/DistGeom/TriangleSmooth.cpp [ 38%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/DistGeom/DistViolationContrib.cpp make -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make 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-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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o -MF 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/build/reproducible-path/rdkit-202409.2/Code/ForceField/Wrap/ForceField.cpp [ 38%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/DistGeom/ChiralViolationContrib.cpp [ 38%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDInchiLib.dir/link.txt --verbose=1 [ 39%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDInchiLib.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDInchiLib.so.1 -o ../../lib/libRDKitRDInchiLib.so.1.2024.09.2 CMakeFiles/RDInchiLib.dir/inchi.cpp.o /usr/lib/aarch64-linux-gnu/libinchi.so ../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../lib/libRDKitAlignment.so.1.2024.09.2 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDInchiLib.so.1.2024.09.2 ../../lib/libRDKitRDInchiLib.so.1 ../../lib/libRDKitRDInchiLib.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 39%] Built target RDInchiLib make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/build.make 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 39%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ForceFieldHelpers/catch_tests.cpp [ 39%] Linking CXX shared library ../../../lib/libRDKitMolHash.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolHash.so.1 -o ../../../lib/libRDKitMolHash.so.1.2024.09.2 CMakeFiles/MolHash.dir/hashfunctions.cpp.o CMakeFiles/MolHash.dir/normalize.cpp.o ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2024.09.2 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 39%] Built target MolHash make -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 39%] Building CXX object Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceFieldHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -MF CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o.d -o CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Fingerprints.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFingerprints.so.1 -o ../../../lib/libRDKitFingerprints.so.1.2024.09.2 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/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 39%] Built target Fingerprints 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolHash/Wrap 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-I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/DistGeom/testDistGeom.cpp [ 41%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/DistGeom/Wrap/DistGeom.cpp [ 41%] Linking CXX executable forceFieldHelpersCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/forceFieldHelpersCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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 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object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT 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-202409.2/Code/GraphMol/DistGeomHelpers/Embedder.cpp [ 41%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolHash.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 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../../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 41%] Built target rdMolHash [ 41%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp [ 41%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdinchi.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdinchi.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/Chem/rdinchi.so CMakeFiles/rdinchi.dir/pyInchi.cpp.o ../../../lib/libRDKitRDInchiLib.so.1.2024.09.2 ../../../lib/libRDKitRDBoost.so.1.2024.09.2 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 41%] Built target rdinchi [ 41%] Linking CXX executable testDistGeom cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeom.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/testDistGeom.dir/link.d CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -o testDistGeom ../../lib/libRDKitDistGeometry.so.1.2024.09.2 ../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.2 ../../lib/libRDKitForceField.so.1.2024.09.2 ../../lib/libRDKitOptimizer.so.1.2024.09.2 ../../lib/libRDKitTrajectory.so.1.2024.09.2 ../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 41%] Built target testDistGeom [ 41%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeom.dir/link.txt --verbose=1 [ 41%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/DistGeom.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/DistanceGeometry/DistGeom.so CMakeFiles/DistGeom.dir/DistGeom.cpp.o ../../../lib/libRDKitDistGeometry.so.1.2024.09.2 ../../../lib/libRDKitRDBoost.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.2 ../../../lib/libRDKitForceField.so.1.2024.09.2 ../../../lib/libRDKitOptimizer.so.1.2024.09.2 ../../../lib/libRDKitTrajectory.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 41%] Built target DistGeom /usr/bin/c++ -fPIC -g -O2 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../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 41%] Built target rdForceField [ 41%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemTransforms.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 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../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1 ../../../lib/libRDKitChemTransforms.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 41%] Built target ChemTransforms 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 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object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/CDXMLParser.cpp cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED 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../../../lib/libRDKitDistGeomHelpers.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1 [ 43%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp [ 43%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ 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../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitDistGeometry.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitForceField.so.1.2024.09.2 ../../../lib/libRDKitOptimizer.so.1.2024.09.2 ../../../lib/libRDKitTrajectory.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.2 ../../../lib/libRDKitDistGeomHelpers.so.1 ../../../lib/libRDKitDistGeomHelpers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 43%] Built target DistGeomHelpers [ 43%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/SDMolSupplier.cpp [ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so cd 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Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SDWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/SDWriter.cpp [ 43%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp [ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfiltercatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdfiltercatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdfiltercatalog.so CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../../lib/libRDKitRDBoost.so.1.2024.09.2 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../../lib/libRDKitCatalogs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 43%] Built target rdfiltercatalog [ 43%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/SmilesWriter.cpp [ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/TDTMolSupplier.cpp [ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap 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-DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/SequenceParsers.cpp [ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/SequenceWriters.cpp [ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/SVGParser.cpp [ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PNGParser.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/PNGParser.cpp [ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB 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-I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.cpp [ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.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++17 -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-202409.2/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp [ 46%] Linking CXX shared library ../../../lib/libRDKitFileParsers.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/FileParsers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FileParsers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFileParsers.so.1 -o ../../../lib/libRDKitFileParsers.so.1.2024.09.2 CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o CMakeFiles/FileParsers.dir/MolFileParser.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.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 46%] Built target FileParsers make -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make External/CoordGen/CMakeFiles/testCoordGen.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/External/CoordGen /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/CoordGen /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/CoordGen/CMakeFiles/testCoordGen.dir/DependInfo.cmake "--color=" make -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/depend make[4]: Entering directory 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Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o [ 47%] Building CXX object Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField/UFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/ForceField/UFF/testUFFForceField.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 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/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/ForceField/MMFF/testMMFFForceField.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/hanoiTest.dir/DependInfo.cmake "--color=" make -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/depend [ 47%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o [ 48%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/test1.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu 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-I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -MF CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o.d -o CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/testChirality.cpp cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -MF CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o.d -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/molopstest.cpp make -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/molBundleTest.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/testSGroup.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build [ 48%] Building CXX object Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT 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directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 48%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/build [ 49%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB 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-I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -MF CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o.d -o CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/resMolSupplierTest.cpp cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -MF CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o.d -o CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/testMolBundle.cpp [ 49%] Building CXX object Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD 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-fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/catch_graphmol.cpp [ 49%] Linking CXX executable hanoiTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/hanoiTest.dir/link.txt --verbose=1 [ 49%] Linking CXX executable graphmoltestPicklerGlobalSetting cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 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-DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -MF 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-I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -MF CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o.d -o CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/catch_adjustquery.cpp [ 49%] Linking CXX executable testCoordGen cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/CoordGen && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoordGen.dir/link.txt 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-DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -MF CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o.d -o CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -c 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-Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o -MF CMakeFiles/ChemReactions.dir/Reaction.cpp.o.d -o CMakeFiles/ChemReactions.dir/Reaction.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Reaction.cpp [ 49%] Linking CXX executable graphmolSGroupCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolSGroupCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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-DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o -MF 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-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/test1.cpp [ 50%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Depictor/catch_tests.cpp [ 50%] Linking CXX executable graphmoltestChirality cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestChirality.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/graphmoltestChirality.dir/link.d CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -o graphmoltestChirality ../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../lib/libRDKitAlignment.so.1.2024.09.2 ../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 50%] Built target graphmoltestChirality make -f Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/testSquiggleDoubleBonds.cpp [ 50%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MDLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/MDLParser.cpp [ 50%] Linking CXX executable nontetrahedralCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/nontetrahedralCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/nontetrahedralCatch.dir/link.d CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -o nontetrahedralCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 50%] Built target nontetrahedralCatch 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 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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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/testMolSupplier.cpp [ 50%] Linking CXX executable testSquiggleDoubleBonds cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSquiggleDoubleBonds.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 50%] Built target testSquiggleDoubleBonds make -f Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build.make 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 50%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/testGeneralFileReader.cpp [ 50%] Linking CXX executable testAtropisomers cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAtropisomers.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 50%] Built target testAtropisomers 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu 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-DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/testMultithreadedMolSupplier.cpp [ 50%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED 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Linking CXX executable testDepictor cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDepictor.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDepictor.dir/link.d CMakeFiles/testDepictor.dir/testDepictor.cpp.o -o testDepictor ../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' [ 50%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/testMolWriter.cpp [ 50%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionPickler.cpp [ 50%] Linking CXX executable testGeneralFileReader cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGeneralFileReader.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 ../../../lib/libRDKitRDStreams.so.1.2024.09.2 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-ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o -MF CMakeFiles/testTplParser.dir/testTpls.cpp.o.d -o CMakeFiles/testTplParser.dir/testTpls.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/testTpls.cpp [ 50%] Linking CXX executable testMultithreadedMolSupplier cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultithreadedMolSupplier.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 50%] Built target testMultithreadedMolSupplier 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 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-DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/testMol2ToMol.cpp [ 50%] Linking CXX executable testMol2ToMol cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 50%] Built target testMol2ToMol make -f 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 50%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/testSequence.cpp [ 50%] Linking CXX executable testMolSupplier cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolSupplier.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time 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../../../lib/libRDKitRDGeneral.so.1.2024.09.2 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 50%] Built target testMolSupplier 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' [ 50%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/testExtendedStereoParsing.cpp [ 50%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ChemReactions/ReactionWriter.cpp [ 50%] Linking CXX executable testTplParser cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script 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-DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/file_parsers_catch.cpp [ 50%] Linking CXX executable graphmolTestsCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTestsCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/graphmolTestsCatch.dir/link.d 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-I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/testPropertyLists.cpp [ 50%] Linking CXX executable testSequence cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 50%] Built target testSequence 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' [ 50%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/XYZFileParserCatchTest.cpp [ 51%] Linking CXX executable testMolWriter cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1 [ 51%] Linking CXX executable testExtendedStereoParsing cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard 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../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 51%] Built target testExtendedStereoParsing 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/molfile_stereo_catch.cpp [ 51%] Linking CXX executable smiTest1 cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest1.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. 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-ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/connectTheDots_catch.cpp [ 51%] Built target depictorCatch 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' [ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/v2_suppliers_catch.cpp [ 51%] Linking CXX executable chiralityTestsCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/chiralityTestsCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 ../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../lib/libRDKitAlignment.so.1.2024.09.2 ../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 51%] Built target chiralityTestsCatch 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' [ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/v2_file_parsers_catch.cpp [ 51%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code 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-DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp [ 52%] Linking CXX executable v2MolSuppliers cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2MolSuppliers.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now 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-DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FileParsers/multithreaded_supplier_catch.cpp [ 52%] Linking CXX executable XYZFileParserCatchTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/XYZFileParserCatchTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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 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-I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o -MF CMakeFiles/testSubstructMatch.dir/test1.cpp.o.d -o CMakeFiles/testSubstructMatch.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp [ 53%] Linking CXX executable connectTheDotsTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 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CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/catch_tests.cpp [ 53%] Linking CXX executable smiTestCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTestCatch.dir/link.txt --verbose=1 [ 53%] Linking CXX executable v2FileParsersCatchTest /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/smiTestCatch.dir/link.d CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -o smiTestCatch ../../RDGeneral/librdkitCatch.a 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-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemTransforms/catch_tests.cpp [ 53%] Linking CXX executable molfileStereoCatchTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/molfileStereoCatchTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now 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-DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FilterCatalog/filtercatalogtest.cpp /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp: In function 'void testMostSubstitutedCoreMatch()': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp:1903:41: warning: possibly dangling reference to a temporary [-Wdangling-reference] 1903 | std::make_pair(phenyl.get(), 3u)}) { | ^ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp:1901:23: note: the temporary was destroyed at the end of the full expression 'std::make_pair(orthoMeta.std::unique_ptr::get(), 0)' 1901 | {std::make_pair(orthoMeta.get(), 0u), std::make_pair(ortho.get(), 1u), | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp:1903:41: warning: possibly dangling reference to a temporary [-Wdangling-reference] 1903 | std::make_pair(phenyl.get(), 3u)}) { | ^ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp:1901:60: note: the temporary was destroyed at the end of the full expression 'std::make_pair(ortho.std::unique_ptr::get(), 1)' 1901 | {std::make_pair(orthoMeta.get(), 0u), std::make_pair(ortho.get(), 1u), | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp:1903:41: warning: possibly dangling reference to a temporary [-Wdangling-reference] 1903 | std::make_pair(phenyl.get(), 3u)}) { | ^ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp:1902:23: note: the temporary was destroyed at the end of the full expression 'std::make_pair(meta.std::unique_ptr::get(), 1)' 1902 | std::make_pair(meta.get(), 1u), std::make_pair(biphenyl.get(), 2u), | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp:1903:41: warning: possibly dangling reference to a temporary [-Wdangling-reference] 1903 | std::make_pair(phenyl.get(), 3u)}) { | ^ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp:1902:55: note: the temporary was destroyed at the end of the full expression 'std::make_pair(biphenyl.std::unique_ptr::get(), 2)' 1902 | std::make_pair(meta.get(), 1u), std::make_pair(biphenyl.get(), 2u), | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp:1903:41: warning: possibly dangling reference to a temporary [-Wdangling-reference] 1903 | std::make_pair(phenyl.get(), 3u)}) { | ^ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/test1.cpp:1903:23: note: the temporary was destroyed at the end of the full expression 'std::make_pair(phenyl.std::unique_ptr::get(), 3)' 1903 | std::make_pair(phenyl.get(), 3u)}) { | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ [ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT 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-202409.2/Code/GraphMol/ChemReactions/ReactionUtils.cpp [ 53%] Linking CXX executable multithreadedSupplierCatchTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/multithreadedSupplierCatchTest.dir/link.txt --verbose=1 [ 53%] Linking CXX executable graphmolMolOpsTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 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Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.cpp [ 53%] Linking CXX executable cdxmlParserCatchTest cd 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/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Descriptors/Crippen.cpp [ 53%] Linking CXX executable testPropertyLists cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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/usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 53%] Built target testPropertyLists 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 53%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp [ 54%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK 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-fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Descriptors/BCUT.cpp [ 54%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionRunner.cpp [ 54%] Linking CXX executable testFragCatalog cd 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 55%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp [ 55%] Linking CXX executable testChemTransforms cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemTransforms.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 55%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp [ 55%] Linking CXX executable fpGenTestCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpGenTestCatch.dir/link.txt --verbose=1 [ 56%] Linking CXX executable molTransformsTestCatch cd 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/usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 56%] Built target fpGenTestCatch make -f 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-I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp [ 56%] Linking CXX executable testMolTransforms cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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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/usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 56%] Built target testMolTransforms 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers 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-isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/DistGeomHelpers/catch_tests.cpp [ 56%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 57%] Building CXX object Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_MAX_ARITY=32 -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDistGeom_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -MF CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o.d -o CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp [ 57%] Linking CXX executable testMMFFForceFieldHelpersMultiThread cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolAlign/testMolAlign.cpp [ 57%] Linking CXX executable testFingerprintGenerators cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprintGenerators.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time 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/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolAlign/catch_tests.cpp [ 57%] Linking CXX executable testCrystalForceField cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCrystalForceField.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 ../../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.2 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/usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 57%] Built target testCrystalForceField 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures 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-ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/SanitizeRxn.cpp [ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MolDescriptors.cpp [ 57%] Linking CXX executable testMMFFForceFieldHelpers cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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 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-DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp [ 57%] Linking CXX executable testFingerprints cd 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' [ 57%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolCatalog/test1.cpp [ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Descriptors/MolSurf.cpp [ 57%] Linking CXX executable testMolAlign cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1 [ 57%] Linking CXX executable molAlignCatchTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.2 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/usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 57%] Built target testMolAlign make -f Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/DependInfo.cmake "--color=" make[4]: Leaving 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o -MF CMakeFiles/FMCS.dir/FMCS.cpp.o.d -o CMakeFiles/FMCS.dir/FMCS.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/FMCS.cpp /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra 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-I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ChemReactions/PNGParser.cpp [ 60%] Linking CXX executable testUFFForceFieldHelpers cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && 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-I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolProcessing/MolProcessing.cpp [ 62%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o cd 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-Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/CDXMLParser.cpp [ 63%] Linking CXX executable testDistGeomHelpers cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeomHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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-DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -fpermissive -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp [ 63%] Linking CXX shared library ../../../lib/libRDKitMMPA.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/MMPA.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMMPA.so.1 -o 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/usr/lib/aarch64-linux-gnu/libmaeparser.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2024.09.2 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 63%] Built target MMPA 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MMPA 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-DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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 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/usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitForceField.so.1.2024.09.2 ../../../lib/libRDKitOptimizer.so.1.2024.09.2 ../../../lib/libRDKitTrajectory.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 63%] Built target trajectoryTest make -f Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build.make Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/depend make[4]: Entering directory 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-Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp [ 63%] Linking CXX executable molHashCatchTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/molHashCatchTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time 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executable molInterchangeCatchTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1 [ 64%] Linking CXX shared library ../../../lib/libRDKitMolProcessing.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolProcessing.dir/link.txt --verbose=1 [ 64%] Linking CXX executable testAbbreviations cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAbbreviations.dir/link.txt --verbose=1 [ 64%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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/usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolProcessing.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolProcessing.so.1 -o ../../../lib/libRDKitMolProcessing.so.1.2024.09.2 CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o ../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 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/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolProcessing.so.1.2024.09.2 ../../../lib/libRDKitMolProcessing.so.1 ../../../lib/libRDKitMolProcessing.so [ 64%] Built target molInterchangeCatchTest [ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Descriptors/Property.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' /usr/bin/c++ -g -O2 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/usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so [ 64%] Built target MolProcessing make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build.make Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing 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-I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o -MF CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o.d -o CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolProcessing/Wrap/rdMolProcessing.cpp [ 64%] Linking CXX executable testMMPA cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script 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testMMPA ../../../lib/libRDKitMMPA.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 64%] Built target testMMPA [ 65%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp [ 65%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMMPA.dir/link.txt 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-Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMMPA.so CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o ../../../../lib/libRDKitMMPA.so.1.2024.09.2 ../../../../lib/libRDKitRDBoost.so.1.2024.09.2 ../../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 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Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ChemReactions/catch_tests.cpp make -f Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize 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-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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolStandardize/Pipeline.cpp [ 68%] Linking CXX shared library ../../../lib/libRDKitFMCS.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCS.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FMCS.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFMCS.so.1 -o ../../../lib/libRDKitFMCS.so.1.2024.09.2 CMakeFiles/FMCS.dir/FMCS.cpp.o CMakeFiles/FMCS.dir/Seed.cpp.o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o ../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFMCS.so.1.2024.09.2 ../../../lib/libRDKitFMCS.so.1 ../../../lib/libRDKitFMCS.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 68%] Built target FMCS make -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 68%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2D.cpp [ 69%] Linking CXX shared library ../../../lib/libRDKitRascalMCES.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/RascalMCES.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRascalMCES.so.1 -o ../../../lib/libRDKitRascalMCES.so.1.2024.09.2 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.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRascalMCES.so.1.2024.09.2 ../../../lib/libRDKitRascalMCES.so.1 ../../../lib/libRDKitRascalMCES.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 69%] Built target RascalMCES 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' [ 69%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/FMCS/testFMCS_Unit.cpp In file included from /usr/include/c++/14/bits/stl_algobase.h:64, from /usr/include/c++/14/bits/stl_tree.h:63, from /usr/include/c++/14/map:62, from /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/Dict.h:19, from /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryOps.h:16, from /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:16: /usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair::type>::__type, typename std::__strip_reference_wrapper::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp2>::type = double]': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:771:42: required from here 771 | auto new_mins = getAtomCoords(make_pair(x_min, y_min)); | ~~~~~~~~~^~~~~~~~~~~~~~ /usr/include/c++/14/bits/stl_pair.h:1132:5: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 1132 | make_pair(_T1&& __x, _T2&& __y) | ^~~~~~~~~ [ 69%] Linking CXX executable testReactionFingerprints cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReactionFingerprints.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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 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../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 69%] Built target testReactionFingerprints 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu 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/usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK 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Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -MF CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o.d -o CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/mces_catch.cpp [ 69%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolStandardize/Metal.cpp [ 69%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so cd 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/usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2024.09.2 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 69%] Built target MarvinParser 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu 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-DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp [ 69%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Descriptors.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDescriptors.so.1 -o ../../../lib/libRDKitDescriptors.so.1.2024.09.2 CMakeFiles/Descriptors.dir/Crippen.cpp.o CMakeFiles/Descriptors.dir/BCUT.cpp.o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o 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/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2024.09.2 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 69%] Built target Descriptors 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp [ 70%] Linking CXX executable testRascalCluster cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.2 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-I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.cpp [ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o -MF CMakeFiles/MolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/MolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Validate.cpp [ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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-202409.2/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp [ 70%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Deprotect.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDeprotect.so.1 -o ../../../lib/libRDKitDeprotect.so.1.2024.09.2 CMakeFiles/Deprotect.dir/Deprotect.cpp.o ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 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/usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2024.09.2 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 70%] Built target Deprotect make -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu 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-c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/rdchem.cpp [ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolDraw2D/DrawShape.cpp [ 70%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/cmake -E cmake_link_script 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../../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 70%] Built target rdRascalMCES make -f 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CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Wrap/rdmolops.cpp [ 70%] Linking CXX executable testRascalMCES cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalMCES.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 70%] Built target testRascalMCES make -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 70%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -MF CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o.d -o CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/rdmolfiles.cpp In file included from /usr/include/c++/14/vector:62, from /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:15: In static member function 'static _Up* std::__copy_move<_IsMove, true, std::random_access_iterator_tag>::__copy_m(_Tp*, _Tp*, _Up*) [with _Tp = int; _Up = int; bool _IsMove = false]', inlined from '_OI std::__copy_move_a2(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:521:30, inlined from '_OI std::__copy_move_a1(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:548:42, inlined from '_OI std::__copy_move_a(_II, _II, _OI) [with bool _IsMove = false; _II = __gnu_cxx::__normal_iterator >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:555:31, inlined from '_OI std::copy(_II, _II, _OI) [with _II = __gnu_cxx::__normal_iterator >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:651:7, inlined from 'static _ForwardIterator std::__uninitialized_copy::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:147:27, inlined from '_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:185:15, inlined from '_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = int*; _Tp = int]' at /usr/include/c++/14/bits/stl_uninitialized.h:373:37, inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = int; _Alloc = std::allocator]' at /usr/include/c++/14/bits/vector.tcc:1022:38, inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = int; _Alloc = std::allocator]' at /usr/include/c++/14/bits/stl_vector.h:1488:19, inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector&, std::vector >&, std::vector >&) const' at /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32: /usr/include/c++/14/bits/stl_algobase.h:452:30: warning: 'void* __builtin_memmove(void*, const void*, long unsigned int)' writing between 5 and 9223372036854775804 bytes into a region of size 0 overflows the destination [-Wstringop-overflow=] 452 | __builtin_memmove(__result, __first, sizeof(_Tp) * _Num); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /usr/include/aarch64-linux-gnu/c++/14/bits/c++allocator.h:33, from /usr/include/c++/14/bits/allocator.h:46, from /usr/include/c++/14/vector:63: In member function '_Tp* std::__new_allocator<_Tp>::allocate(size_type, const void*) [with _Tp = int]', inlined from 'static _Tp* std::allocator_traits >::allocate(allocator_type&, size_type) [with _Tp = int]' at /usr/include/c++/14/bits/alloc_traits.h:509:28, inlined from 'std::_Vector_base<_Tp, _Alloc>::pointer std::_Vector_base<_Tp, _Alloc>::_M_allocate(std::size_t) [with _Tp = int; _Alloc = std::allocator]' at /usr/include/c++/14/bits/stl_vector.h:380:33, inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = int; _Alloc = std::allocator]' at /usr/include/c++/14/bits/vector.tcc:1013:40, inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = int; _Alloc = std::allocator]' at /usr/include/c++/14/bits/stl_vector.h:1488:19, inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector&, std::vector >&, std::vector >&) const' at /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32: /usr/include/c++/14/bits/new_allocator.h:151:55: note: at offset [-9223372036854775808, -1] into destination object of size [4, 9223372036854775804] allocated by 'operator new' 151 | return static_cast<_Tp*>(_GLIBCXX_OPERATOR_NEW(__n * sizeof(_Tp))); | ^ [ 70%] Linking CXX executable rxnTestCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnTestCatch.dir/link.txt --verbose=1 [ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o -MF CMakeFiles/MolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/MolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Charge.cpp /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/rxnTestCatch.dir/link.d CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -o rxnTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitChemReactions.so.1.2024.09.2 /usr/lib/libCatch2.a ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 70%] Built target rxnTestCatch make -f Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 70%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/SmilesParse/cxsmiles_test.cpp [ 70%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolEnumerator/PositionVariation.cpp [ 71%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/CIPMol.cpp [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolDraw2D/DrawText.cpp [ 71%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Wrap/MolOps.cpp [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolDraw2D/DrawTextNotFT.cpp In file included from /usr/include/c++/14/bits/stl_algobase.h:64, from /usr/include/c++/14/string:51, from /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawText.h:19, from /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawText.cpp:13: /usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair::type>::__type, typename std::__strip_reference_wrapper::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp2>::type = double]': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawText.cpp:165:47: required from here 165 | tl = mol_draw.getAtomCoords(std::make_pair(tl.x, tl.y)); | ~~~~~~~~~~~~~~^~~~~~~~~~~~ /usr/include/c++/14/bits/stl_pair.h:1132:5: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 1132 | make_pair(_T1&& __x, _T2&& __y) | ^~~~~~~~~ [ 71%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/CIPLabeler.cpp [ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolStandardize/Tautomer.cpp [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp [ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolDraw2D/DrawTextJS.cpp [ 72%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB 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/usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp [ 72%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK 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-I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolStandardize/Fragment.cpp [ 72%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o cd 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-I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp [ 73%] Linking CXX executable cxsmilesTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/cxsmilesTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 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../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 73%] Built target cxsmilesTest make -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make 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-I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp [ 75%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK 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-I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Wrap/Atom.cpp [ 75%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp [ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK 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/usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2024.09.2 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 77%] Built target MolEnumerator make -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors 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../../../lib/libRDKitMolStandardize.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolStandardize.dir/link.txt --verbose=1 [ 80%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolStandardize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolStandardize.so.1 -o ../../../lib/libRDKitMolStandardize.so.1.2024.09.2 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-Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/test3D.cpp.o -MF CMakeFiles/test3D.dir/test3D.cpp.o.d -o CMakeFiles/test3D.dir/test3D.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/test3D.cpp /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolops.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -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.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitRDBoost.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' In file included from /usr/include/boost/shared_ptr.hpp:17, from /usr/include/boost/python/converter/shared_ptr_to_python.hpp:12, from /usr/include/boost/python/converter/arg_to_python.hpp:15, from /usr/include/boost/python/call.hpp:15, from /usr/include/boost/python/object_core.hpp:14, from /usr/include/boost/python/args.hpp:22, from /usr/include/boost/python.hpp:11, from /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:32: In copy constructor 'boost::shared_ptr::shared_ptr(const boost::shared_ptr&) [with T = RDKit::ROMol]', inlined from 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]' at /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25: /usr/include/boost/smart_ptr/shared_ptr.hpp:459:66: warning: '*(const boost::shared_ptr*)((char*)& + offsetof(boost::python::extract >,boost::python::extract >::.boost::python::converter::extract_rvalue >::m_data.boost::python::converter::rvalue_from_python_data >::.boost::python::converter::rvalue_from_python_storage >::storage)).boost::shared_ptr::px' may be used uninitialized [-Wmaybe-uninitialized] 459 | shared_ptr( shared_ptr const & r ) BOOST_SP_NOEXCEPT : px( r.px ), pn( r.pn ) | ~~^~ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '' declared here 55 | RDKit::ROMOL_SPTR mol = python::extract(bbs[i][j]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /usr/include/boost/smart_ptr/shared_ptr.hpp:18: In copy constructor 'boost::detail::shared_count::shared_count(const boost::detail::shared_count&)', inlined from 'boost::shared_ptr::shared_ptr(const boost::shared_ptr&) [with T = RDKit::ROMol]' at /usr/include/boost/smart_ptr/shared_ptr.hpp:459:72, inlined from 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]' at /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25: /usr/include/boost/smart_ptr/detail/shared_count.hpp:438:67: warning: '((const boost::detail::shared_count*)((char*)& + offsetof(boost::python::extract >,boost::python::extract >::.boost::python::converter::extract_rvalue >::m_data.boost::python::converter::rvalue_from_python_data >::.boost::python::converter::rvalue_from_python_storage >::storage)))[1].boost::detail::shared_count::pi_' may be used uninitialized [-Wmaybe-uninitialized] 438 | shared_count(shared_count const & r) BOOST_SP_NOEXCEPT: pi_(r.pi_) | ~~^~~ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '' declared here 55 | RDKit::ROMOL_SPTR mol = python::extract(bbs[i][j]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 80%] Built target rdmolops make -f Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/testWHIM.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Descriptors/testWHIM.cpp In copy constructor 'boost::shared_ptr::shared_ptr(const boost::shared_ptr&) [with T = RDKit::ROMol]', inlined from 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::list]' at /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25: /usr/include/boost/smart_ptr/shared_ptr.hpp:459:66: warning: '*(const boost::shared_ptr*)((char*)& + offsetof(boost::python::extract >,boost::python::extract >::.boost::python::converter::extract_rvalue >::m_data.boost::python::converter::rvalue_from_python_data >::.boost::python::converter::rvalue_from_python_storage >::storage)).boost::shared_ptr::px' may be used uninitialized [-Wmaybe-uninitialized] 459 | shared_ptr( shared_ptr const & r ) BOOST_SP_NOEXCEPT : px( r.px ), pn( r.pn ) | ~~^~ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::list]': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '' declared here 55 | RDKit::ROMOL_SPTR mol = python::extract(bbs[i][j]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In copy constructor 'boost::detail::shared_count::shared_count(const boost::detail::shared_count&)', inlined from 'boost::shared_ptr::shared_ptr(const boost::shared_ptr&) [with T = RDKit::ROMol]' at /usr/include/boost/smart_ptr/shared_ptr.hpp:459:72, inlined from 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::list]' at /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25: /usr/include/boost/smart_ptr/detail/shared_count.hpp:438:67: warning: '((const boost::detail::shared_count*)((char*)& + offsetof(boost::python::extract >,boost::python::extract >::.boost::python::converter::extract_rvalue >::m_data.boost::python::converter::rvalue_from_python_data >::.boost::python::converter::rvalue_from_python_storage >::storage)))[1].boost::detail::shared_count::pi_' may be used uninitialized [-Wmaybe-uninitialized] 438 | shared_count(shared_count const & r) BOOST_SP_NOEXCEPT: pi_(r.pi_) | ~~^~~ /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::list]': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '' declared here 55 | RDKit::ROMOL_SPTR mol = python::extract(bbs[i][j]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 81%] Linking CXX executable testPBF cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPBF.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/testPBF.dir/link.d CMakeFiles/testPBF.dir/testPBF.cpp.o -o testPBF ../../../lib/libRDKitDescriptors.so.1.2024.09.2 ../../../lib/libRDKitPartialCharges.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 81%] Built target testPBF make -f Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 82%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -MF CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o.d -o CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/testGETAWAY.cpp [ 82%] Linking CXX executable testRDF cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDF.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/testRDF.dir/link.d CMakeFiles/testRDF.dir/testRDF.cpp.o -o testRDF ../../../lib/libRDKitDescriptors.so.1.2024.09.2 ../../../lib/libRDKitPartialCharges.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 82%] Built target testRDF make -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/DependInfo.cmake "--color=" make[4]: Leaving directory 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-mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/catch_tests.cpp /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp: In function 'std::pair {anonymous}::{anonymous}::BCUT2D_list(const RDKit::ROMol&, boost::python::list)': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:444:61: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 444 | python::list atomprops) { | ^ [ 84%] Linking CXX executable testAUTOCORR3D cd 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/usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 84%] Built target test3D make -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd 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-mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -MF CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o.d -o CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Deprotect/deprotectTest.cpp [ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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-I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o -MF CMakeFiles/rdchem.dir/Conformer.cpp.o.d -o CMakeFiles/rdchem.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/Conformer.cpp In file included from /usr/include/c++/14/bits/stl_algobase.h:64, from /usr/include/c++/14/bits/specfun.h:43, from /usr/include/c++/14/cmath:3906, from /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/types.h:21, from /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/utils.h:15, from /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/test1.cpp:12: /usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair::type>::__type, typename std::__strip_reference_wrapper::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp2>::type = double]': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/test1.cpp:1592:46: required from here 1592 | drawer.getAtomCoords(std::make_pair(ocoords.x, ocoords.y)); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /usr/include/c++/14/bits/stl_pair.h:1132:5: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 1132 | make_pair(_T1&& __x, _T2&& __y) | ^~~~~~~~~ [ 85%] Linking CXX executable descriptorsTestCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/descriptorsTestCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 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descriptorsTestCatch make -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp [ 85%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/O3AAlign.dir/link.txt --verbose=1 [ 85%] Linking CXX executable moldraw2DRxnTest1 cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DRxnTest1.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/O3AAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitO3AAlign.so.1 -o ../../../lib/libRDKitO3AAlign.so.1.2024.09.2 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o ../../../lib/libRDKitDescriptors.so.1.2024.09.2 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.2 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/usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2024.09.2 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 85%] Built target O3AAlign 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 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directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 85%] Built target deprotectTest 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f 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/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 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-I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o -MF CMakeFiles/rdchem.dir/RingInfo.cpp.o.d -o CMakeFiles/rdchem.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/RingInfo.cpp [ 85%] Linking CXX executable molNormalizeTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolStandardize/testCharge.cpp [ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o -MF CMakeFiles/rdchem.dir/EditableMol.cpp.o.d -o CMakeFiles/rdchem.dir/EditableMol.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/EditableMol.cpp [ 85%] Linking CXX executable molValidateTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 85%] Built target molValidateTest 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 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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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolStandardize/testTautomer.cpp [ 85%] Linking CXX executable molStandardizeTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/molStandardizeTest.dir/link.d CMakeFiles/molStandardizeTest.dir/test1.cpp.o -o molStandardizeTest ../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 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/usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 85%] Built target molStandardizeTest 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 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-DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolStandardize/testFragment.cpp [ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -MF CMakeFiles/rdchem.dir/MonomerInfo.cpp.o.d -o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/MonomerInfo.cpp [ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/SmilesMolSupplier.cpp [ 85%] Linking CXX executable molChargeTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 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../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 85%] 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix 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-fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolStandardize/catch_tests.cpp [ 85%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 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Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. 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-ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.cpp [ 86%] Linking CXX executable moldraw2DTest1 cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat 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../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 86%] Built target moldraw2DTest1 make -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/depend make[4]: Entering directory 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Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolEnumerator/enumerator_catch.cpp [ 86%] Linking CXX executable molFragmentTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molFragmentTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time 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-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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp [ 87%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDraw2D.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDraw2D.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/Draw/rdMolDraw2D.so CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o ../../../../lib/libRDKitMolDraw2D.so.1.2024.09.2 ../../../../lib/libRDKitRDBoost.so.1.2024.09.2 ../../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 87%] Built target rdMolDraw2D make -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' [ 87%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_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_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-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/TautomerQuery/TautomerQuery.cpp [ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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++17 -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-202409.2/Code/GraphMol/Wrap/SmilesWriter.cpp [ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o -MF CMakeFiles/rdchem.dir/MolBundle.cpp.o.d -o CMakeFiles/rdchem.dir/MolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/MolBundle.cpp [ 88%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/ScaffoldNetwork.dir/link.txt --verbose=1 [ 88%] Linking CXX executable molTautomerTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTautomerTest.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ScaffoldNetwork.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitScaffoldNetwork.so.1 -o ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.2 CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o ../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.2 ../../../lib/libRDKitScaffoldNetwork.so.1 ../../../lib/libRDKitScaffoldNetwork.so /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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 ../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 88%] Built target molTautomerTest 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 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/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 88%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolAlign/testO3AAlign.cpp [ 88%] Building CXX object Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolAlign_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -MF CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o.d -o CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp [ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o -MF CMakeFiles/rdchem.dir/StereoGroup.cpp.o.d -o CMakeFiles/rdchem.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/StereoGroup.cpp [ 89%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/TautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTautomerQuery.so.1 -o ../../../lib/libRDKitTautomerQuery.so.1.2024.09.2 CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o ../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2024.09.2 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 89%] Built target TautomerQuery 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp [ 90%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolStandardize/Wrap/Validate.cpp [ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK 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-MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/SDWriter.cpp In file included from /usr/include/c++/14/bits/stl_algobase.h:64, from /usr/include/c++/14/string:51, from /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/Invariant.h:17, from /build/reproducible-path/rdkit-202409.2/Code/Numerics/Matrix.h:14, from /build/reproducible-path/rdkit-202409.2/Code/Numerics/SquareMatrix.h:14, from /build/reproducible-path/rdkit-202409.2/Code/Geometry/Transform3D.h:16, from /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolAlign/AlignMolecules.h:14, from /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolAlign/testO3AAlign.cpp:11: /usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair::type>::__type, typename std::__strip_reference_wrapper::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp2>::type = double]': /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolAlign/testO3AAlign.cpp:643:37: required from here 643 | oscores.push_back(std::make_pair(rmsd, score)); | ~~~~~~~~~~~~~~^~~~~~~~~~~~~ /usr/include/c++/14/bits/stl_pair.h:1132:5: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 1132 | make_pair(_T1&& __x, _T2&& __y) | ^~~~~~~~~ [ 90%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolEnumerator.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. 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../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 91%] Built target molStandardizePipelineTest make -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make 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-I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/TautomerQuery/catch_tests.cpp [ 91%] Linking CXX executable molStandardizeCatchTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeCatchTest.dir/link.txt --verbose=1 [ 91%] Building 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-fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp [ 91%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolAlign.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem 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Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem 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-Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolStandardize/Wrap/Metal.cpp [ 93%] Linking CXX executable testScaffoldNetwork cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/testScaffoldNetwork.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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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-fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp [ 93%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdScaffoldNetwork.dir/link.txt --verbose=1 [ 93%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdTautomerQuery.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong 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/usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdTautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdTautomerQuery.so CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.2 ../../../../lib/libRDKitRDBoost.so.1.2024.09.2 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl [ 93%] Built target rdScaffoldNetwork make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 93%] Built target rdTautomerQuery [ 93%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o [ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK 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-I/build/reproducible-path/rdkit-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/MolStandardize/Wrap/Pipeline.cpp [ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -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_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -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-202409.2/External -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/python3.12 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp [ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK 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-Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupDecompData.cpp [ 94%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/GeneralizedSubstruct.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GeneralizedSubstruct.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGeneralizedSubstruct.so.1 -o ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.2 CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o ../../../lib/libRDKitMolEnumerator.so.1.2024.09.2 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.2 ../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 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'/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 94%] Built target GeneralizedSubstruct 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f 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cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' [ 94%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o cd 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-mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -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-202409.2/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp make -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 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-ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -MF CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o.d -o CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp [ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB 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-Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupData.cpp make -f Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build.make Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit 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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-202409.2/Code/PgSQL/rdkit/adapter.cpp [ 95%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdchem.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/Chem/rdchem.so CMakeFiles/rdchem.dir/rdchem.cpp.o CMakeFiles/rdchem.dir/Table.cpp.o CMakeFiles/rdchem.dir/Atom.cpp.o CMakeFiles/rdchem.dir/Bond.cpp.o CMakeFiles/rdchem.dir/Mol.cpp.o CMakeFiles/rdchem.dir/Conformer.cpp.o CMakeFiles/rdchem.dir/RingInfo.cpp.o CMakeFiles/rdchem.dir/EditableMol.cpp.o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o CMakeFiles/rdchem.dir/MolBundle.cpp.o CMakeFiles/rdchem.dir/StereoGroup.cpp.o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o CMakeFiles/rdchem.dir/Chirality.cpp.o ../../../lib/libRDKitMarvinParser.so.1.2024.09.2 ../../../lib/libRDKitRDBoost.so.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 95%] 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-I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/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-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -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-202409.2/Code/PgSQL/rdkit/bfp_op.c [ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK 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/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/low_gist.c [ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/mol_op.c.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.2\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/build/reproducible-path/rdkit-202409.2/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/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-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/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-202409.2/Code/PgSQL/rdkit/mol_op.c [ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_gist.c.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc 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CMakeFiles/rdkit.dir/bfp_gin.c.o.d -o CMakeFiles/rdkit.dir/bfp_gin.c.o -c /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/bfp_gin.c [ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -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_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.2\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/External -I/build/reproducible-path/rdkit-202409.2/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/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-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -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-202409.2/Code/PgSQL/rdkit/bitstring.c [ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o cd 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-I/build/reproducible-path/rdkit-202409.2/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupUtils.cpp /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/adapter.cpp: In function 'void* makeAvalonBFP(CROMol, bool, unsigned int)': /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/adapter.cpp:1617:38: warning: unused parameter 'data' [-Wunused-parameter] 1617 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery, | ~~~~~~~^~~~ /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/adapter.cpp:1617:49: warning: unused parameter 'isQuery' [-Wunused-parameter] 1617 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery, | ~~~~~^~~~~~~ /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/adapter.cpp:1618:44: warning: unused parameter 'bitFlags' [-Wunused-parameter] 1618 | unsigned int bitFlags) { | ~~~~~~~~~~~~~^~~~~~~~ [ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK 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-I/build/reproducible-path/rdkit-202409.2/Code -I/build/reproducible-path/rdkit-202409.2/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp [ 97%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script 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CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -c /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp [ 97%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolStandardize.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolStandardize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -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.1.2024.09.2 ../../../../lib/libRDKitRDBoost.so.1.2024.09.2 ../../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 97%] Built target rdMolStandardize [ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdGeneralizedSubstruct.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeneralizedSubstruct.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdGeneralizedSubstruct.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdGeneralizedSubstruct.so CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.2 ../../../../lib/libRDKitRDBoost.so.1.2024.09.2 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.2 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.2 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 97%] Built target rdGeneralizedSubstruct [ 97%] Linking CXX shared library librdkit.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/sql /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit/sql cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/data /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit/data cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/expected /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit/expected cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkit.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/rdkit.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,librdkit.so -o librdkit.so CMakeFiles/rdkit.dir/adapter.cpp.o CMakeFiles/rdkit.dir/bfp_op.c.o CMakeFiles/rdkit.dir/cache.c.o CMakeFiles/rdkit.dir/guc.c.o CMakeFiles/rdkit.dir/low_gist.c.o CMakeFiles/rdkit.dir/mol_op.c.o CMakeFiles/rdkit.dir/rdkit_gist.c.o CMakeFiles/rdkit.dir/bfp_gist.c.o CMakeFiles/rdkit.dir/bfp_gin.c.o CMakeFiles/rdkit.dir/bitstring.c.o CMakeFiles/rdkit.dir/rdkit_io.c.o CMakeFiles/rdkit.dir/rxn_op.c.o CMakeFiles/rdkit.dir/sfp_op.c.o -L/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/lib /usr/lib/aarch64-linux-gnu/libpq.so ../../../lib/libRDKitRDInchiLib.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libinchi.so ../../../lib/libRDKitMolInterchange.so.1.2024.09.2 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.2 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.2 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.2 ../../../lib/libRDKitMolDraw2D.so.1.2024.09.2 ../../../lib/libRDKitMolHash.so.1.2024.09.2 ../../../lib/libRDKitFMCS.so.1.2024.09.2 ../../../lib/libRDKitDescriptors.so.1.2024.09.2 ../../../lib/libRDKitPartialCharges.so.1.2024.09.2 ../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so ../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 97%] Built target rdkit [ 97%] Linking CXX executable generalizedSubstructCatch cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/generalizedSubstructCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/generalizedSubstructCatch.dir/link.d CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -o generalizedSubstructCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.2 /usr/lib/libCatch2.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.2 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.2 ../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 97%] Built target generalizedSubstructCatch [ 97%] Linking CXX shared library ../../../lib/libRDKitSubstructLibrary.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructLibrary.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SubstructLibrary.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructLibrary.so.1 -o ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.2 CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.2 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.2 ../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.2 ../../../lib/libRDKitSubstructLibrary.so.1 ../../../lib/libRDKitSubstructLibrary.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 97%] Built target SubstructLibrary make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/depend 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/DependInfo.cmake "--color=" 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-202409.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2 /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/obj-aarch64-linux-gnu' [ 97%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o [ 98%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD 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-std=gnu++17 -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-202409.2/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp [ 99%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/RGroupDecomposition.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [ 99%] Built target gaExample [ 99%] Linking CXX executable substructLibraryCatchTest cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryCatchTest.dir/link.txt --verbose=1 [100%] Linking CXX executable testRGroupDecompInternals cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecompInternals.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard 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../../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../../lib/libRDKitAlignment.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../../lib/libRDKitCatalogs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [100%] Built target rdRGroupDecomposition [100%] Linking CXX executable rgroupCatchTests cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/rgroupCatchTests.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/rgroupCatchTests.dir/link.d CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -o rgroupCatchTests ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.2 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2024.09.2 ../../../lib/libRDKitga.so.1.2024.09.2 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.2 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.2 ../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [100%] Built target rgroupCatchTests [100%] Linking CXX executable testRGroupDecomp cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecomp.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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 ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.2 ../../../lib/libRDKitFMCS.so.1.2024.09.2 ../../../lib/libRDKitga.so.1.2024.09.2 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.2 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.2 ../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../lib/libRDKitFileParsers.so.1.2024.09.2 ../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../lib/libRDKitAlignment.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../lib/libRDKitDataStructs.so.1.2024.09.2 ../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [100%] Built target testRGroupDecomp [100%] Linking CXX shared module ../../../../rdkit/Chem/rdSubstructLibrary.so cd /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSubstructLibrary.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSubstructLibrary.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdSubstructLibrary.so CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o ../../../../lib/libRDKitSubstructLibrary.so.1.2024.09.2 ../../../../lib/libRDKitRDBoost.so.1.2024.09.2 ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.2 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.2 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.2 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.2 ../../../../lib/libRDKitChemReactions.so.1.2024.09.2 ../../../../lib/libRDKitFileParsers.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.2 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.2 ../../../../lib/libRDKitDepictor.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.2 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.2 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.2 ../../../../lib/libRDKitAlignment.so.1.2024.09.2 ../../../../lib/libRDKitFingerprints.so.1.2024.09.2 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.2 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.2 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.2 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.2 ../../../../lib/libRDKitGraphMol.so.1.2024.09.2 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.2 ../../../../lib/libRDKitCatalogs.so.1.2024.09.2 ../../../../lib/libRDKitDataStructs.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_numpy312.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.2 /usr/lib/aarch64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' [100%] Built target rdSubstructLibrary make[3]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/CMakeFiles 0 make[2]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-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-202409.2/Code/PgSQL/rdkit/build-17' /usr/bin/cmake -S/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit -B/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17 --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17/CMakeFiles /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[3]: Entering directory '/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17' make -f CMakeFiles/rdkit.dir/build.make CMakeFiles/rdkit.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17' cd /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17 /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17 /build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17/CMakeFiles/rdkit.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17' make -f CMakeFiles/rdkit.dir/build.make CMakeFiles/rdkit.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/build-17' [ 7%] Building CXX object CMakeFiles/rdkit.dir/adapter.cpp.o /usr/bin/c++ -DRDKITVER=\"007600\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.2/Code/PgSQL/rdkit/adapter.cpp [ 14%] Building C object CMakeFiles/rdkit.dir/bfp_op.c.o /usr/bin/cc -DRDKITVER=\"007600\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.2/Code/PgSQL/rdkit/bfp_op.c [ 21%] Building C object CMakeFiles/rdkit.dir/cache.c.o /usr/bin/cc -DRDKITVER=\"007600\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.2/Code/PgSQL/rdkit/cache.c [ 28%] Building C object CMakeFiles/rdkit.dir/guc.c.o /usr/bin/cc -DRDKITVER=\"007600\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.2/Code/PgSQL/rdkit/guc.c [ 35%] Building C object CMakeFiles/rdkit.dir/low_gist.c.o /usr/bin/cc -DRDKITVER=\"007600\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.2/Code/PgSQL/rdkit/low_gist.c [ 42%] Building C object CMakeFiles/rdkit.dir/mol_op.c.o /usr/bin/cc -DRDKITVER=\"007600\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.2/Code/PgSQL/rdkit/mol_op.c [ 50%] Building C object CMakeFiles/rdkit.dir/rdkit_gist.c.o /usr/bin/cc -DRDKITVER=\"007600\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.2/Code/PgSQL/rdkit/rdkit_gist.c [ 57%] Building C object CMakeFiles/rdkit.dir/bfp_gist.c.o /usr/bin/cc -DRDKITVER=\"007600\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.2/Code/PgSQL/rdkit/bfp_gist.c [ 64%] Building C object CMakeFiles/rdkit.dir/bfp_gin.c.o /usr/bin/cc -DRDKITVER=\"007600\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.2/Code/PgSQL/rdkit/bfp_gin.c [ 71%] Building C object CMakeFiles/rdkit.dir/bitstring.c.o /usr/bin/cc -DRDKITVER=\"007600\" -DRDK_TOOLKIT_VERSION=\"\" -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.2/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -MD -MT 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Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Enumerate/RandomSample.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Enumerate/RandomSample.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h../build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionParser.h:171: warning: unbalanced grouping commands . Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/PreprocessRxn.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/PreprocessRxn.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Reaction.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Reaction.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionFingerprints.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionFingerprints.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionParser.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionParser.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionPickler.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionPickler.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionRunner.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionRunner.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/ReactionUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/SanitizeRxn.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/SanitizeRxn.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemTransforms/ChemTransforms.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemTransforms/ChemTransforms.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemTransforms/MolFragmenter.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemTransforms/MolFragmenter.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Chirality.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Chirality.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/CIPLabeler.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/CIPLabeler.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/CIPMol.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/CIPMol.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/configs/Configuration.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/configs/Configuration.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/configs/Sp2Bond.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/configs/Sp2Bond.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/configs/Tetrahedral.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/configs/Tetrahedral.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Descriptor.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Descriptor.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Digraph.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Digraph.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Edge.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Edge.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Mancude.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Mancude.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Node.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Node.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Priority.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Priority.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Pairlist.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Pairlist.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule1a.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule1a.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule1b.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule1b.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule2.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule2.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule3.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule3.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule4a.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule4a.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule4b.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule4b.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule4c.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule4c.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule5.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule5.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule5New.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule5New.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule6.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rule6.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rules.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/Rules.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/SequenceRule.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/rules/SequenceRule.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Sort.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Sort.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/TooManyNodesException.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/TooManyNodesException.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Conformer.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Conformer.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/DepictUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/DepictUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/EmbeddedFrag.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/EmbeddedFrag.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/RDDepictor.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/RDDepictor.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/Templates.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/Templates.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/TemplateSmiles.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/TemplateSmiles.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Deprotect/Deprotect.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Deprotect/Deprotect.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/AtomFeat.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/AtomFeat.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/AUTOCORR2D.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/AUTOCORR2D.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/AUTOCORR3D.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/AUTOCORR3D.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/BCUT.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/BCUT.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/ConnectivityDescriptors.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/ConnectivityDescriptors.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/CoulombMat.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/CoulombMat.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Crippen.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Crippen.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Data3Ddescriptors.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Data3Ddescriptors.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/DCLV.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/DCLV.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/EEM.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/EEM.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/GETAWAY.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/GETAWAY.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Lipinski.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Lipinski.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MolData3Ddescriptors.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MolData3Ddescriptors.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MolDescriptors.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MolDescriptors.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MolDescriptors3D.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MolDescriptors3D.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MolSurf.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MolSurf.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MORSE.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MORSE.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MQN.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/MQN.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/OxidationNumbers.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/OxidationNumbers.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/PBF.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/PBF.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/PMI.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/PMI.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Property.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Property.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/RDF.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/RDF.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/RegisterDescriptor.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/RegisterDescriptor.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/USRDescriptor.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/USRDescriptor.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/WHIM.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/WHIM.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/details.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/details.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/DetermineBonds/DetermineBonds.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/DetermineBonds/DetermineBonds.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/DistGeomHelpers/Embedder.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/DistGeomHelpers/Embedder.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/CDXMLParser.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/CDXMLParser.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/FileParsers.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/FileParsers.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/FileParserUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/FileParserUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/FileWriters.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/FileWriters.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/GeneralFileReader.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/GeneralFileReader.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MaestroProperties.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MaestroProperties.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolFileStereochem.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolFileStereochem.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSGroupParsing.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSGroupParsing.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSGroupWriting.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSGroupWriting.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.v1API.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.v1API.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolWriters.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolWriters.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/PNGParser.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/PNGParser.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/ProximityBonds.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/ProximityBonds.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/SequenceParsers.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/SequenceParsers.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/SequenceWriters.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/SequenceWriters.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FilterCatalog.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FilterCatalog.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FilterMatcherBase.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FilterMatcherBase.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FilterMatchers.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FilterMatchers.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/Filters.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/Filters.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/AtomPairGenerator.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/AtomPairGenerator.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/AtomPairs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/AtomPairs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/FingerprintGenerator.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/FingerprintGenerator.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/Fingerprints.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/Fingerprints.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/FingerprintUtil.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/FingerprintUtil.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MACCS.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MACCS.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MHFP.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MHFP.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MorganFingerprints.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MorganFingerprints.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MorganGenerator.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MorganGenerator.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/RDKitFPGenerator.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/RDKitFPGenerator.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/Composition2N.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/Composition2N.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/DebugTrace.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/DebugTrace.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/DuplicatedSeedCache.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/DuplicatedSeedCache.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/FMCS.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/FMCS.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/Graph.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/Graph.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/MatchTable.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/MatchTable.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/MaximumCommonSubgraph.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/MaximumCommonSubgraph.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/Seed.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/Seed.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/SeedSet.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/SeedSet.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/SubstructMatchCustom.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/SubstructMatchCustom.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/SubstructureCache.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/SubstructureCache.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/Target.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/Target.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/TargetMatch.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/TargetMatch.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/FFConvenience.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/FFConvenience.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/FragCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/FragCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/FragCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/FragCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/FragCatGenerator.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/FragCatGenerator.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/FragCatParams.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/FragCatParams.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/FragFPGenerator.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/FragFPGenerator.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/GeneralizedSubstruct/XQMol.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/GeneralizedSubstruct/XQMol.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/GenericGroups/GenericGroups.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/GenericGroups/GenericGroups.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/GraphMol.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/GraphMol.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MarvinParse/MarvinDefs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MarvinParse/MarvinDefs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MarvinParse/MarvinParser.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MarvinParse/MarvinParser.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MMPA/MMPA.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MMPA/MMPA.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolAlign/AlignMolecules.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolAlign/AlignMolecules.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolAlign/O3AAlignMolecules.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolAlign/O3AAlignMolecules.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolBundle.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolBundle.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolCatalog/MolCatalog.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolCatalog/MolCatalog.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolCatalog/MolCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolCatalog/MolCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolCatalog/MolCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolCatalog/MolCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolChemicalFeatures/FeatureParser.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolChemicalFeatures/FeatureParser.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/AtomSymbol.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/AtomSymbol.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawAnnotation.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawAnnotation.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawMol.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawMol.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawMolMCH.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawMolMCH.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawShape.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawShape.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawText.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawText.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextCairo.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextCairo.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextFT.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextFT.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextFTCairo.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextFTCairo.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextFTJS.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextFTJS.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextFTSVG.h... Parsing file /buil/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2D.h:233: warning: unbalanced grouping commands d/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextFTSVG.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextJS.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextJS.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextNotFT.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextNotFT.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextSVG.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/DrawTextSVG.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Fonts/roboto_regular.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Fonts/roboto_regular.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Fonts/telex_regular.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Fonts/telex_regular.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2D.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2D.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DHelpers.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DHelpers.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DJS.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DJS.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/StringRect.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/StringRect.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/LinkNode.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/LinkNode.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolHash/mf.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolHash/mf.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolHash/MolHash.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolHash//build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolOps.h:489: warning: unbalanced grouping commands /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolOps.h:747: warning: unbalanced grouping commands MolHash.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolHash/nmmolhash.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolHash/nmmolhash.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolInterchange/details.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolInterchange/details.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolInterchange/MolInterchange.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolInterchange/MolInterchange.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolOps.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolOps.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolPickler.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolPickler.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolProcessing/MolProcessing.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolProcessing/MolProcessing.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Charge.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Charge.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Fragment.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Fragment.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Metal.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Metal.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/MolStandardize.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/MolStandardize.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Normalize.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Normalize.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Pipeline.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Pipeline.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Tautomer.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Tautomer.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Validate.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Validate.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolTransforms/MolTransforms.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolTransforms/MolTransforms.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MonomerInfo.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MonomerInfo.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/new_canon.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/new_canon.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/PartialCharges/GasteigerCharges.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/PartialCharges/GasteigerCharges.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/PartialCharges/GasteigerParams.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/PartialCharges/GasteigerParams.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/PeriodicTable.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/PeriodicTable.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryAtom.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryAtom.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryBond.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryBond.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryOps.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryOps.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/PartitionSet.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/PartitionSet.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/RascalClusterOptions.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/RascalClusterOptions.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/RascalDetails.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/RascalDetails.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/RascalMCES.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/RascalMCES.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/RascalOptions.h... Parsing file /buil/build/reproducible-path/rdkit-202409.2/Code/GraphMol/ROMol.h:416: warning: unbalanced grouping commands d/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/RascalOptions.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/RascalResult.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/RascalResult.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RDKitBase.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RDKitBase.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RDKitQueries.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RDKitQueries.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ReducedGraphs/ReducedGraphs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ReducedGraphs/ReducedGraphs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Resonance.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Resonance.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupCore.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupCore.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupData.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupData.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupDecompData.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupDecompData.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupGa.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupGa.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupMatch.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupMatch.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupScore.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupScore.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RingInfo.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RingInfo.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Rings.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Rings.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ROMol.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ROMol.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RWMol.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RWMol.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SanitException.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SanitException.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ScaffoldNetwork/detail.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ScaffoldNetwork/detail.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ShapeHelpers/ShapeEncoder.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ShapeHelpers/ShapeEncoder.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ShapeHelpers/ShapeUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ShapeHelpers/ShapeUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SLNParse/SLNAttribs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SLNParse/SLNAttribs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SLNParse/SLNParse.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SLNParse/SLNParse.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SLNParse/SLNParseOps.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SLNParse/SLNParseOps.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/primes.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/primes.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/SmartsWrite.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/SmartsWrite.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/SmilesParse.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/SmilesParse.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/SmilesParseOps.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/SmilesParseOps.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/SmilesWrite.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/SmilesWrite.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StereoGroup.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StereoGroup.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/Pattern.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/Pattern.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/ReCharge.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/ReCharge.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/Stereo.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/Stereo.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/StripSmallFragments.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/StripSmallFragments.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/StructChecker.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/StructChecker.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/StructCheckerOptions.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/StructCheckerOptions.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/Tautomer.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/Tautomer.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/Utilites.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/StructChecker/Utilites.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Subgraphs/Subgraphs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Subgraphs/Subgraphs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Subgraphs/SubgraphUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Subgraphs/SubgraphUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstanceGroup.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstanceGroup.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/SubstructMatch.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/SubstructMatch.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/SubstructUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Substruct/SubstructUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstructLibrary/PatternFactory.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstructLibrary/PatternFactory.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstructLibrary/SubstructLibrary.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstructLibrary/SubstructLibrary.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/TautomerQuery/TautomerQuery.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/TautomerQuery/TautomerQuery.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Trajectory/Snapshot.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Trajectory/Snapshot.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Trajectory/Trajectory.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Trajectory/Trajectory.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Catalogs/Catalog.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Catalogs/Catalog.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Catalogs/CatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Catalogs/CatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Catalogs/CatalogParams.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Catalogs/CatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/base64.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/base64.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/BitOps.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/BitOps.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/BitVect.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/BitVect.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/BitVects.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/BitVects.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/BitVectUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/BitVectUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/DatastructsException.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/DatastructsException.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/DatastructsStreamOps.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/DatastructsStreamOps.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/DiscreteDistMat.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/DiscreteDistMat.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/DiscreteValueVect.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/DiscreteValueVect.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/ExplicitBitVect.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/ExplicitBitVect.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/FPBReader.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/FPBReader.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/MultiFPBReader.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/MultiFPBReader.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/SparseBitVect.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/SparseBitVect.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataStructs/SparseIntVect.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataStructs/SparseIntVect.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/AndQuery.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/AndQuery.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/EqualityQuery.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/EqualityQuery.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/GreaterEqualQuery.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/GreaterEqualQuery.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/GreaterQuery.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/GreaterQuery.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/LessEqualQuery.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/LessEqualQuery.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/LessQuery.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/LessQuery.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/NullQueryAlgebra.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/NullQueryAlgebra.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/OrQuery.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/OrQuery.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/Query.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/Query.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/QueryObjects.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/QueryObjects.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/RangeQuery.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/RangeQuery.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/SetQuery.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/SetQuery.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Query/XOrQuery.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Query/XOrQuery.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ML/InfoTheory/CorrMatGenerator.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ML/InfoTheory/CorrMatGenerator.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ML/InfoTheory/InfoBitRanker.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ML/InfoTheory/InfoBitRanker.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ML/InfoTheory/InfoGainFuncs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ML/InfoTheory/InfoGainFuncs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataManip/MetricMatrixCalc/MetricFuncs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataManip/MetricMatrixCalc/MetricFuncs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/DistPicker.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/DistPicker.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/HierarchicalClusterPicker.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/HierarchicalClusterPicker.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/LeaderPicker.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/LeaderPicker.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/MaxMinPicker.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/MaxMinPicker.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/BadFileException.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/BadFileException.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/BoostEndInclude.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/BoostEndInclude.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/BoostStartInclude.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/BoostStartInclude.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/ConcurrentQueue.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/ConcurrentQueue.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/Dict.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/Dict.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/Exceptions.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/Exceptions.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/export.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/export.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/FileParseException.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/FileParseException.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/hanoiSort.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/hanoiSort.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/Invariant.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/Invariant.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/LocaleSwitcher.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/LocaleSwitcher.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/Ranking.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/Ranking.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDAny.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDAny.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDConfig.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDConfig.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDExportMacros.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDExportMacros.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDLog.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDLog.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDProps.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDProps.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDThreads.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDThreads.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDValue-doublemagic.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDValue-doublemagic.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDValue-taggedunion.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDValue-taggedunion.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDValue.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/RDValue.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/StreamOps.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/StreamOps.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/types.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/types.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/utils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDGeneral/utils.h... 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Preprocessing /build/reproducible-path/rdkit-202409.2/Code/RDBoost/python_streambuf.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/RDBoost/python_streambuf.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DistGeom/BoundsMatrix.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DistGeom/BoundsMatrix.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DistGeom/ChiralSet.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DistGeom/ChiralSet.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DistGeom/ChiralViolationContrib.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DistGeom/ChiralViolationContrib.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DistGeom/ChiralViolationContribs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DistGeom/ChiralViolationContribs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DistGeom/DistGeomUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DistGeom/DistGeomUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DistGeom/DistViolationContrib.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DistGeom/DistViolationContrib.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DistGeom/DistViolationContribs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DistGeom/DistViolationContribs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DistGeom/FourthDimContrib.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DistGeom/FourthDimContrib.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DistGeom/FourthDimContribs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DistGeom/FourthDimContribs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/DistGeom/TriangleSmooth.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/DistGeom/TriangleSmooth.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/AngleConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/AngleConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/AngleConstraints.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/AngleConstraints.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/Contrib.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/Contrib.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/DistanceConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/DistanceConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/DistanceConstraints.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/DistanceConstraints.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/ForceField.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/ForceField.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/AngleBend.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/AngleBend.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/AngleConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/AngleConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/BondStretch.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/BondStretch.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/Contribs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/Contribs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/DistanceConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/DistanceConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/Nonbonded.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/Nonbonded.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/OopBend.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/OopBend.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/Params.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/Params.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/PositionConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/PositionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/StretchBend.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/StretchBend.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/TorsionAngle.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/TorsionAngle.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/TorsionConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/TorsionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/PositionConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/PositionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/TorsionConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/TorsionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/AngleBend.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/AngleBend.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/AngleConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/AngleConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/BondStretch.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/BondStretch.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Contribs.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Contribs.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/DistanceConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/DistanceConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Inversion.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Inversion.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Inversions.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Inversions.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Nonbonded.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Nonbonded.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Params.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Params.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/PositionConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/PositionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/TorsionAngle.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/TorsionAngle.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/TorsionConstraint.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/TorsionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Utils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ForceField/UFF/Utils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Numerics/Alignment/AlignPoints.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Numerics/Alignment/AlignPoints.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Numerics/Conrec.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Numerics/Conrec.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Numerics/EigenSolvers/PowerEigenSolver.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Numerics/EigenSolvers/PowerEigenSolver.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Numerics/Matrix.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Numerics/Matrix.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Numerics/Optimizer/BFGSOpt.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Numerics/Optimizer/BFGSOpt.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Numerics/SquareMatrix.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Numerics/SquareMatrix.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Numerics/SymmMatrix.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Numerics/SymmMatrix.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Numerics/Vector.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Numerics/Vector.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Geometry/Grid3D.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Geometry/Grid3D.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Geometry/GridUtils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Geometry/GridUtils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Geometry/point.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Geometry/point.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Geometry/Transform.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Geometry/Transform.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Geometry/Transform2D.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Geometry/Transform2D.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Geometry/Transform3D.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Geometry/Transform3D.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Geometry/UniformGrid3D.h... Parsing file /build/reproducible-pat/build/reproducible-path/rdkit-202409.2/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h:62: warning: documented symbol 'for experimental torsion angle RDKit::DGeomHelpers::preferences' was not declared or defined. /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolOps.h:1187: warning: documented symbol 'modifies molecule in RDKit::MolOps::place' was not declared or defined. /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolOps.h:1203: warning: documented symbol 'modifies molecule in RDKit::MolOps::place' was not declared or defined. /build/reproducible-path/rdkit-202409.2/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-202409.2/Code/GraphMol/RGroupDecomposition/RGroupUtils.h:94: warning: no matching file member found for RDKIT_RGROUPDECOMPOSITION_EXPORT std::string RDKit::toJSON(const std::map &rgr, const std::string &prefix="") Possible candidates: 'RDKIT_RGROUPDECOMPOSITION_EXPORT std::string toJSON(const RGroupRow &rgr, const std::string &prefix="")' at line 82 of file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupUtils.h 'RDKIT_RGROUPDECOMPOSITION_EXPORT std::string toJSON(const RGroupRows &rgr, const std::string &prefix="")' at line 86 of file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupUtils.h 'RDKIT_RGROUPDECOMPOSITION_EXPORT std::string toJSON(const RGroupColumn &rgr, const std::string &prefix="")' at line 90 of file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/RGroupUtils.h /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryOps.h:535: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryOps.h:526: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:87: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:142: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:216: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:80: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:135: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:209: warning: Found unknown command '\override' h/rdkit-202409.2/Code/Geometry/UniformGrid3D.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Geometry/Utils.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Geometry/Utils.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/Features/Feature.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/Features/Feature.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ChemicalFeatures/ChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202409.2/Code/ChemicalFeatures/ChemicalFeature.h... Preprocessing /build/reproducible-path/rdkit-202409.2/Code/ChemicalFeatures/FreeChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202409.2/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... Computing class relations... Add enum values to enums... Searching for member function documentation... 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 SparseBitVect.h... Generating code for file SparseIntVect.h... Generating code for file BoundsMatrix.h... Generating code for file ChiralSet.h... Generating code for file ChiralViolationContrib.h... Generating code for file ChiralViolationContribs.h... Generating code for file DistGeomUtils.h... Generating code for file DistViolationContrib.h... Generating code for file DistViolationContribs.h... Generating code for file FourthDimContrib.h... Generating code for file FourthDimContribs.h... Generating code for file TriangleSmooth.h... Generating code for file Feature.h... Generating code for file AngleConstraints.h... Generating code for file Contrib.h... Generating code for file DistanceConstraints.h... Generating code for file 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 AngleConstraint.h... Generating code for file AngleConstraint.h... Generating code for file AngleConstraint.h... Generating code for file BondStretch.h... Generating code for file BondStretch.h... Generating code for file Contribs.h... Generating code for file Contribs.h... Generating code for file DistanceConstraint.h... Generating code for file DistanceConstraint.h... Generating code for file DistanceConstraint.h... Generating code for file 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 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 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 TemplateSmiles.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 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 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 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 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 MolInterchange.h... Generating code for file MolOps.h... Generating code for file MolPickler.h... Generating code for file MolProcessing.h... Generating code for file AcidBaseCatalogEntry.h... Generating code for file AcidBaseCatalogParams.h... Generating code for file AcidBaseCatalogUtils.h... Generating code for file Charge.h... Generating code for file Fragment.h... Generating code for file FragmentCatalogEntry.h... Generating code for file FragmentCatalogParams.h... Generating code for file FragmentCatalogUtils.h... Generating code for file Metal.h... Generating code for file MolStandardize.h... Generating code for file Normalize.h... Generating code for file Pipeline.h... Generating code for file TautomerCatalogEntry.h... Generating code for file TautomerCatalogParams.h... Generating code for file TautomerCatalogUtils.h... Generating code for file TransformCatalogEntry.h... Generating code for file TransformCatalogParams.h... Generating code for file TransformCatalogUtils.h... Generating code for file Validate.h... Generating code for file MolTransforms.h... Generating code for file MonomerInfo.h... Generating code for file new_canon.h... Generating code for file GasteigerCharges.h... Generating code for file GasteigerParams.h... Generating code for file PeriodicTable.h... Generating code for file QueryAtom.h... Generating code for file QueryBond.h... Generating code for file QueryOps.h... Generating code for file PartitionSet.h... Generating code for file RascalClusterOptions.h... Generating code for file RascalDetails.h... Generating code for file RascalMCES.h... Generating code for file RascalOptions.h... Generating code for file RascalResult.h... Generating code for file RDKitBase.h... Generating code for file RDKitQueries.h... Generating code for file ReducedGraphs.h... Generating code for file Resonance.h... Generating code for file RGroupCore.h... Generating code for file RGroupData.h... Generating code for file RGroupDecomp.h... Generating code for file RGroupDecompData.h... Generating code for file 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 primes.h... Generating code for file SmartsWrite.h... Generating code for file SmilesParse.h... Generating code for file SmilesParseOps.h... Generating code for file SmilesWrite.h... Generating code for file StereoGroup.h... Generating code for file Pattern.h... Generating code for file ReCharge.h... Generating code for file Stereo.h... Generating code for file StripSmallFragments.h... Generating code for file StructChecker.h... Generating code for file StructCheckerOptions.h... Generating code for file Tautomer.h... Generating code for file Tautomer.h... Generating code for file Utilites.h... Generating code for file Subgraphs.h... Generating code for file SubgraphUtils.h... Generating code for file 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 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 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 BoostEndInclude.h... Generating code for file BoostStartInclude.h... Generating code for file ConcurrentQueue.h... Generating code for file Dict.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 LocaleSwitch/build/reproducible-path/rdkit-202409.2/Code/DataStructs/BitOps.h:188: warning: found at different nesting level (7) than expected (4) /build/reproducible-path/rdkit-202409.2/Code/DataStructs/BitOps.h:189: warning: end of comment block while expecting command er.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 SparseBitVect.h... Generating docs for file SparseIntVect.h... Generating docs for file BoundsMatrix.h... Generating docs for file ChiralSet.h... Generating docs for file ChiralViolationContrib.h... Generating docs for file ChiralViolationContribs.h... Generating docs for file DistGeomUtils.h... Generating docs for file DistViolationContrib.h... Generating docs for file DistViolationContribs.h... Generating docs for file FourthDimContrib.h... Generating docs for file FourthDimContribs.h... Generating docs for file TriangleSmooth.h... Generating docs for file Feature.h... Generating docs for file AngleConstraints.h... Generating docs for file Contrib.h... Generating docs for file DistanceConstraints.h... Generating docs for file 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 AngleConstraint.h... Generating docs for file AngleConstraint.h... Generating docs for file AngleConstraint.h... Generating docs for file BondStretch.h... Generating docs for file BondStretch.h... Generating docs for file Contribs.h... Generating docs for file Contribs.h... Generating docs for file DistanceConstraint.h... Generating docs for file DistanceConstraint.h... Generating docs for file DistanceConstraint.h... Generating docs for file 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 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 Chirality.h... Generating docs for file CIPLabeler.h... Generating docs for file CIPMol.h... Generating docs for file AtropisomerBond.h... Generating docs for file Configuration.h... Generating docs for file Sp2Bond.h... Generating docs for file Tetrahedral.h... Generating docs for file Descriptor.h... Generating docs for file Digraph.h... Generating docs for file Edge.h... Generating docs for file Mancude.h... Generating docs for file Node.h... Generating docs for file Priority.h... Generating docs for file Pairlist.h... Generating docs for file Rule1a.h... Generating docs for file Rule1b.h... Generating docs for file Rule2.h... Generating docs for file Rule3.h... Generating docs for file Rule4a.h... Generating docs for file Rule4b.h... Generating docs for file Rule4c.h... Generating docs for file Rule5.h... Generating docs for file Rule5New.h... Generating docs for file Rule6.h... Generating docs for file Rules.h... Generating docs for file SequenceRule.h... Generating docs for file Sort.h... Generating docs for file TooManyNodesException.h... Generating docs for file Conformer.h... Generating docs for file DepictUtils.h... Generating docs for file EmbeddedFrag.h... Generating docs for file RDDepictor.h... Generating docs for file Templates.h... Generating docs for file TemplateSmiles.h... Generating docs for file Deprotect.h... Generating docs for file AtomFeat.h... Generating docs for file AUTOCORR2D.h... Generating docs for file AUTOCORR3D.h... Generating docs for file BCUT.h... Generating docs for file ConnectivityDescriptors.h... Generating docs for file CoulombMat.h... Generating docs for file Crippen.h... Generating docs for file Data3Ddescriptors.h... Generating docs for file DCLV.h... Generating docs for file EEM.h... Generating docs for file GETAWAY.h... Generating docs for file Lipinski.h... Generating docs for file MolData3Ddescriptors.h... Generating docs for file MolDescriptors.h... Generating docs for file MolDescriptors3D.h... Generating docs for file MolSurf.h... Generating docs for file MORSE.h... Generating docs for file MQN.h... Generating docs for file OxidationNumbers.h... Generating docs for file PBF.h... Generating docs for file PMI.h... Generating docs for file Property.h... Generating docs for file RDF.h... Generating docs for file RegisterDescriptor.h... Generating docs for file USRDescriptor.h... Generating docs for file WHIM.h... Generating docs for file details.h... Generating docs for file details.h... Generating docs for file DetermineBonds.h... Generating docs for file BoundsMatrixBuilder.h... Generating docs for file Embedder.h... Generating docs for file CDXMLParser.h... Generating docs for file FileParsers.h... Generating docs for file FileParserUtils.h... Generating docs for file FileWriters.h... Generating docs for file GeneralFileReader.h... Generating docs for file MaestroProperties.h... Generating docs for file MolFileStereochem.h... Generating docs for file MolSGroupParsing.h... Generating docs for file MolSGroupWriting.h... Generating docs for file MolSupplier.h... Generating docs for file MolSupplier.v1API.h... Generating docs for file MolWriters.h... Generating docs for file MultithreadedMolSupplier.h... Generating docs for file MultithreadedSDMolSupplier.h... Generating docs for file MultithreadedSmilesMolSupplier.h... Generating docs for file PNGParser.h... Generating docs for file ProximityBonds.h... Generating docs for file SequenceParsers.h... Generating docs for file SequenceWriters.h... Generating docs for file FilterCatalog.h... Generating docs for file FilterCatalogEntry.h... Generating docs for file FilterMatcherBase.h... Generating docs for file FilterMatchers.h... Generating docs for file Filters.h... Generating docs for file FunctionalGroupHierarchy.h... Generating docs for file AtomPairGenerator.h... Generating docs for file AtomPairs.h... Generating docs for file FingerprintGenerator.h... Generating docs for file Fingerprints.h... Generating docs for file FingerprintUtil.h... Generating docs for file MACCS.h... Generating docs for file MHFP.h... Generating docs for file MorganFingerprints.h... Generating docs for file MorganGenerator.h... Generating docs for file RDKitFPGenerator.h... 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Generating docs fo/build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryOps.h:526: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryOps.h:535: warning: Found unknown command '\overloadquery' r file MolDraw2DHelpers.h... Generating docs for file MolDraw2DJS.h... Generating docs for file MolDraw2DSVG.h... Generating docs for file MolDraw2DUtils.h... Generating docs for file MolDraw2Dwx.h... Generating docs for file DrawTextFTQt.h... Generating docs for file DrawTextQt.h... Generating docs for file MolDraw2DQt.h... Generating docs for file StringRect.h... Generating docs for file LinkNode.h... Generating docs for file MolEnumerator.h... Generating docs for file mf.h... Generating docs for file MolHash.h... Generating docs for file nmmolhash.h... Generating docs for file MolInterchange.h... Generating docs for file MolOps.h... Generating docs for file MolPickler.h... Generating docs for file MolProcessing.h... 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Generating docs for file InfoBitRanker.h... Generating docs for file InfoGainFuncs.h... Generating docs for file AlignPoints.h... Generating docs for file Conrec.h... Generating docs for file PowerEigenSolver.h... Generating docs for file Matrix.h... Generating docs for file BFGSOpt.h... Generating docs for file SquareMatrix.h... Generating docs for file SymmMatrix.h... Generating docs for file Vector.h... Generating docs for file AndQuery.h... Generating docs for file EqualityQuery.h... Generating docs for file GreaterEqualQuery.h... Generating docs for file GreaterQuery.h... Generating docs for file LessEqualQuery.h... Generating docs for file LessQuery.h... Generating docs for file NullQueryAlgebra.h... Generating docs for file OrQuery.h... Generating docs for file Query.h... Generating docs for file QueryObjects.h... Generating docs for file RangeQuery.h... Generating docs for file SetQuery.h... Generating docs for file XOrQuery.h... Generating docs for file boost_numpy.h... 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Generating docs for compound PySequenceHolder... Generating docs for compound SparseBitVect... Generating docs for compound ValueErrorException... Generating concept documentation... Generating module documentation... Generating namespace documentation... 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_adaptbx Generating docs for namespace boost_adaptbx::python Generating docs for compound boost_adaptbx::python::ostream... Generating docs for compound boost_adaptbx::python::streambuf... Generating docs for nested compound boost_a/build/reproducible-path/rdkit-202409.2/Code/DistGeom/DistGeomUtils.h:93: warning: The following parameter of DistGeom::constructForceField(const BoundsMatrix &mmat, RDGeom::PointPtrVect &positions, const VECT_CHIRALSET &csets, double weightChiral=1.0, double weightFourthDim=0.1, std::map< std::pair< int, int >, double > *extraWeights=nullptr, double basinSizeTol=5.0, boost::dynamic_bitset<> *fixedPts=nullptr) is not documented: parameter 'fixedPts' /build/reproducible-path/rdkit-202409.2/Code/DistGeom/ChiralViolationContribs.h:46: warning: argument 'cset' of command @param is not found in the argument list of DistGeom::ChiralViolationContribs::ChiralViolationContribs(ForceFields::ForceField *owner) /build/reproducible-path/rdkit-202409.2/Code/DistGeom/ChiralViolationContribs.h:46: warning: argument 'weight' of command @param is not found in the argument list of DistGeom::ChiralViolationContribs::ChiralViolationContribs(ForceFields::ForceField *owner) /build/reproducible-path/rdkit-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/Code/ForceField/AngleConstraints.h:65: 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-202409.2/Code/ForceField/AngleConstraints.h:65: 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-202409.2/Code/ForceField/AngleConstraints.h:65: 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-202409.2/Code/ForceField/AngleConstraints.h:53: 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-202409.2/Code/ForceField/AngleConstraints.h:53: 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-202409.2/Code/ForceField/AngleConstraints.h:53: 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-202409.2/Code/ForceField/DistanceConstraints.h:61: 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-202409.2/Code/ForceField/DistanceConstraints.h:61: 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-202409.2/Code/ForceField/DistanceConstraints.h:50: 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-202409.2/Code/ForceField/DistanceConstraints.h:50: 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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/Code/ForceField/MMFF/AngleBend.h:31: warning: argument 'angleType' of command @param is not found in the argument list of ForceFields::MMFF::AngleBendContrib::AngleBendContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, const MMFFAngle *mmffAngleParams, const MMFFProp *mmffPropParamsCentralAtom) /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/AngleBend.h:31: warning: The following parameters of ForceFields::MMFF::AngleBendContrib::AngleBendContrib(ForceField *owner, 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-202409.2/Code/ForceField/MMFF/BondStretch.h:28: warning: argument 'bondType' of command @param is not found in the argument list of ForceFields::MMFF::BondStretchContrib::BondStretchContrib(ForceField *owner, const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/BondStretch.h:28: warning: argument 'end1Params' of command @param is not found in the argument list of ForceFields::MMFF::BondStretchContrib::BondStretchContrib(ForceField *owner, const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/BondStretch.h:28: warning: argument 'end2Params' of command @param is not found in the argument list of ForceFields::MMFF::BondStretchContrib::BondStretchContrib(ForceField *owner, const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/BondStretch.h:28: warning: The following parameter of ForceFields::MMFF::BondStretchContrib::BondStretchContrib(ForceField *owner, const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) is not documented: parameter 'mmffBondParams' /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/Nonbonded.h:54: warning: The following parameters of ForceFields::MMFF::EleContrib::EleContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, double chargeTerm, std::uint8_t dielModel, bool is1_4) are not documented: parameter 'chargeTerm' parameter 'dielModel' parameter 'is1_4' daptbx::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 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::ChiralViolationContrib... Generating docs for compound DistGeom::ChiralViolationContribs... Generating docs for compound DistGeom::ChiralViolationContribsParams... Generating docs for compound DistGeom::DistViolationContrib... Generating docs for compound DistGeom::DistViolationContribs... Generating docs for compound DistGeom::DistViolationContribsParams... Generating docs for compound DistGeom::FourthDimContrib... Generating docs for compound DistGeom::FourthDimContribs... Generating docs for compound DistGeom::FourthDimContribsParams... Generating docs for namespace ForceFields Generating docs for compound ForceFields::AngleConstraintContrib... Generating docs for compound ForceFields::AngleConstraintContribs... Generating docs for compound ForceFields::AngleConstraintContribsParams... Generating docs for compound ForceFields::DistanceConstraintContrib... Generating docs for compound ForceFields::DistanceConstraintContribs... Generating docs for compound ForceFields::DistanceConstraintContribsParams... Generating docs for compound ForceFields::ForceField... Generating docs for compound ForceFields::ForceFieldContrib... Generating docs for compound ForceFields::PositionConstraintContrib... Generating docs for compound ForceFields::TorsionConstraintContrib... Generating docs for namespace ForceFields::CrystalFF Generating docs for compound ForceFields::CrystalFF::CrystalFFDetails... Generating docs for compound ForceFields::CrystalFF::ExpTorsionAngle... Generating docs for compound ForceFields::CrystalFF::TorsionAngleContribM6... Generating docs for compound ForceFields::CrystalFF::TorsionAngleContribs... Generating docs for compound ForceFields::CrystalFF::TorsionAngleContribsParams... Generating docs for namespace ForceFields::MMFF Generating docs for compound ForceFields::MMFF::AngleBendContrib... Generating docs for compound ForceFields::MMFF::BondStretchContrib... Generating docs for compound ForceFields::MMFF::EleContrib... Generating docs for compound ForceFields::MMFF::MMFFAngle... Generating docs for compound ForceFields::MMFF::MMFFAngleCollection... Generating docs for compound ForceFields::MMFF::MMFFAromCollection... Generating docs for compound ForceFields::MMFF::MMFFBndkCollection... Generating docs for compound ForceFields::MMFF::MMFFBond... Generating docs for compound ForceFields::MMFF::MMFFBondCollection... Generating docs for compound ForceFields::MMFF::MMFFChg... Generating docs for compound ForceFields::MMFF::MMFFChgCollection... Generating docs for compound ForceFields::MMFF::MMFFCovRadPauEle... Generating docs for compound ForceFields::MMFF::MMFFCovRadPauEleCollection... Generating docs for compound ForceFields::MMFF::MMFFDef... Generating docs for compound ForceFields::MMFF::MMFFDefCollection... Generating docs for compound ForceFields::MMFF::MMFFDfsbCollection... Generating docs for compound ForceFields::MMFF::MMFFHerschbachLaurie... Generating docs for compound ForceFields::MMFF::MMFFHerschbachLaurieCollection... Generating docs for compound ForceFields::MMFF::MMFFOop... Generating docs for compound ForceFields::MMFF::MMFFOopCollection... Generating docs for compound ForceFields::MMFF::MMFFPBCI... Generating docs for compound ForceFields::MMFF::MMFFPBCICollection... Generating docs for compound ForceFields::MMFF::MMFFProp... Generating docs for compound ForceFields::MMFF::MMFFPropCollection... Generating docs /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/StretchBend.h:32: warning: argument 'angleType' of command @param is not found in the argument list of ForceFields::MMFF::StretchBendContrib::StretchBendContrib(ForceField *owner, 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-202409.2/Code/ForceField/MMFF/StretchBend.h:32: warning: The following parameters of ForceFields::MMFF::StretchBendContrib::StretchBendContrib(ForceField *owner, 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-202409.2/Code/ForceField/MMFF/TorsionAngle.h:31: warning: argument 'torsionType' of command @param is not found in the argument list of ForceFields::MMFF::TorsionAngleContrib::TorsionAngleContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, unsigned int idx4, const MMFFTor *mmffTorParams) /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/TorsionAngle.h:31: warning: The following parameter of ForceFields::MMFF::TorsionAngleContrib::TorsionAngleContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, unsigned int idx4, const MMFFTor *mmffTorParams) is not documented: parameter 'mmffTorParams' /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/Nonbonded.h:30: warning: The following parameter of ForceFields::MMFF::VdWContrib::VdWContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, const MMFFVdWRijstarEps *mmffVdWConstants) is not documented: parameter 'mmffVdWConstants' /build/reproducible-path/rdkit-202409.2/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-202409.2/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-202409.2/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' for compound ForceFields::MMFF::MMFFStbn... Generating docs for compound ForceFields::MMFF::MMFFStbnCollection... Generating docs for compound ForceFields::MMFF::MMFFTor... Generating docs for compound ForceFields::MMFF::MMFFTorCollection... Generating docs for compound ForceFields::MMFF::MMFFVdW... Generating docs for compound ForceFields::MMFF::MMFFVdWCollection... Generating docs for compound ForceFields::MMFF::MMFFVdWRijstarEps... Generating docs for compound ForceFields::MMFF::OopBendContrib... Generating docs for compound ForceFields::MMFF::StretchBendContrib... Generating docs for compound ForceFields::MMFF::TorsionAngleContrib... Generating docs for compound ForceFields::MMFF::VdWContrib... Generating docs for namespace ForceFields::MMFF::Utils Generating docs for namespace ForceFields::UFF Generating docs for compound ForceFields::UFF::AngleBendContrib... Generating docs for compound ForceFields::UFF::AtomicParams... Generating docs for compound ForceFields::UFF::BondStretchContrib... Generating docs for compound ForceFields::UFF::InversionContrib... Generating docs for compound ForceFields::UFF::InversionContribs... Generating docs for compound ForceFields::UFF::InversionContribsParams... Generating docs for compound ForceFields::UFF::ParamCollection... Generating docs for compound ForceFields::UFF::TorsionAngleContrib... Generating docs for compound ForceFields::UFF::UFFAngle... Generating docs for compound ForceFields::UFF::UFFBond... Generating docs for compound ForceFields::UFF::UFFInv... Generating docs for compound ForceFields::UFF::UFFTor... Generating docs for compound ForceFields::UFF::UFFVdW... Generating docs for compound ForceFields::UFF::vdWContrib... Generating docs for namespace ForceFields::UFF::Params Generating docs for namespace ForceFields::UFF::Utils Generating docs for namespace Invar Generating docs for compound Invar::Invariant... Generating docs for namespace MolTransforms Generating docs for namespace Queries Generating docs for compound Queries::AndQuery... Generating docs for compound Queries::EqualityQuery... Generating docs for compound Queries::GreaterEqualQuery... Generating docs for compound Queries::GreaterQuery... Generating docs for compound Queries::Int2Type... Generating docs for compound Queries::LessEqualQuery... Generating docs for compound Queries::LessQuery... Generating docs for compound Queries::OrQuery... Generating docs for compound Queries::Query... Generating docs for compound Queries::RangeQuery... Generating docs for compound Queries::SetQuery... Generating docs for compound Queries::XOrQuery... Generating docs for namespace Rankers Generating docs for namespace RDCatalog Generating docs for compound RDCatalog::Catalog... Generating docs for compound RDCatalog::CatalogEntry... Generating docs for compound RDCatalog::CatalogParams... Generating docs for compound RDCatalog::HierarchCatalog... Generating docs for nested compound RDCatalog::HierarchCatalog::vertex_entry_t... Generating docs for namespace RDDataManip Generating docs for compound RDDataManip::MetricMatrixCalc... Generating docs for namespace RDDepict Generating docs for compound RDDepict::Compute2DCoordParameters... Generating docs for compound RDDepict::ConstrainedDepictionParams... Generating docs for compound RDDepict::CoordinateTemplates... Generating docs for compound RDDepict::DepictException... Generating docs for compound RDDepict::EmbeddedAtom... Generating docs for compound RDDepict::EmbeddedFrag... Generating docs for compound RDDepict::gtIIPair... Generating docs for namespace RDFeatures Generating docs for compound RDFeatures::ExplicitFeature... Generating docs for compound RDFeatures::ImplicitFeature... Generating docs for namespace RDGeom Generating docs for compound RDGeom::Grid3D... Generating docs for compound RDGeom::GridException... Generating docs for compound RDGeom::Point... Generating docs for compound RDGeom::Point2D... Generating docs for compound RDGeom::Point3D... Generating docs for compound RDGeom::PointND... Generating docs for compound RDGeom::Transform2D... Generating/build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryOps.h:526: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryOps.h:535: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstanceGroup.h:276: warning: The following parameter of RDKit::addSubstanceGroup(ROMol &mol, SubstanceGroup sgroup) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202409.2/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-202409.2/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-202409.2/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-202409.2/Code/GraphMol/QueryOps.h:526: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/QueryOps.h:535: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/SmilesParse/SmilesWrite.h:229: 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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/Code/GraphMol/MarvinParse/MarvinParser.h:180: 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-202409.2/Code/GraphMol/MarvinParse/MarvinParser.h:155: 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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/Code/GraphMol/Substruct/SubstructMatch.h:81: 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-202409.2/Code/GraphMol/Substruct/SubstructMatch.h:81: 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-202409.2/Code/GraphMol/Substruct/SubstructMatch.h:94: 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-202409.2/Code/GraphMol/Substruct/SubstructMatch.h:94: 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-202409.2/Code/GraphMol/Substruct/SubstructMatch.h:149: 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-202409.2/Code/GraphMol/Fingerprints/FingerprintGenerator.h:123: warning: The following parameters of RDKit::AtomEnvironment::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const=0 are not documented: parameter 'AdditionalOutput' parameter 'fpSize' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Reaction.h:219: 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-202409.2/Code/GraphMol/ChemReactions/Reaction.h:219: 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-202409.2/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-202409.2/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202409.2/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-202409.2/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-202409.2/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' docs for compound RDGeom::Transform3D... Generating docs for compound RDGeom::UniformGrid3D... Generating docs for namespace RDInfoTheory Generating docs for compound RDInfoTheory::BitCorrMatGenerator... Generating docs for compound RDInfoTheory::InfoBitRanker... Generating docs for namespace RDKit Generating docs for compound RDKit::AdditionalOutput... Generating docs for compound RDKit::AromaticAtomIterator_... Generating docs for compound RDKit::Atom... Generating docs for compound RDKit::AtomEnvironment... Generating docs for compound RDKit::AtomEnvironmentGenerator... Generating docs for compound RDKit::atomicData... Generating docs for compound RDKit::AtomInvariantsGenerator... Generating docs for compound RDKit::AtomIterator_... Generating docs for compound RDKit::AtomKekulizeException... Generating docs for compound RDKit::AtomMonomerInfo... Generating docs for compound RDKit::AtomPDBResidueInfo... Generating docs for compound RDKit::AtomRingQuery... Generating docs for compound RDKit::AtomSanitizeException... Generating docs for compound RDKit::AtomValenceException... Generating docs for compound RDKit::BadFileException... Generating docs for compound RDKit::Bond... Generating docs for compound RDKit::BondInvariantsGenerator... Generating docs for compound RDKit::BondIterator_... Generating docs for compound RDKit::CachedMolHolder... Generating docs for compound RDKit::CachedSmilesMolHolder... Generating docs for compound RDKit::CachedTrustedSmilesMolHolder... Generating docs for compound RDKit::CartesianProduct... Generating docs for compound RDKit::CartesianProductStrategy... Generating docs for compound RDKit::charptr_functor... Generating docs for compound RDKit::ChemicalReaction... Generating docs for compound RDKit::ChemicalReactionException... Generating docs for compound RDKit::ChemicalReactionParserException... Generating docs for compound RDKit::Conformer... Generating docs for compound RDKit::ConformerException... Generating docs for compound RDKit::ConstBondIterator_... Generating docs for compound RDKit::CustomPropHandler... Generating docs for compound RDKit::CXXAtomIterator... Generating docs for nested compound RDKit::CXXAtomIterator::CXXAtomIter... Generating docs for compound RDKit::CXXBondIterator... Generating docs for nested compound RDKit::CXXBondIterator::CXXBondIter... Generating docs for compound RDKit::DataStructsExplicitBitVecPropHandler... Generating docs for compound RDKit::Dict... Generating docs for nested compound RDKit::Dict::Pair... Generating docs for compound RDKit::DiscreteDistMat... Generating docs for compound RDKit::DiscreteValueVect... Generating docs for compound RDKit::DrawColour... Generating docs for compound RDKit::EnumerateLibrary... Generating docs for compound RDKit::EnumerateLibraryBase... Generating docs for compound RDKit::EnumerationParams... Generating docs for compound RDKit::EnumerationStrategyBase... Generating docs for compound RDKit::EnumerationStrategyException... Generating docs for compound RDKit::EvenSamplePairsStrategy... Generating docs for compound RDKit::ExclusionList... Generating docs for compound RDKit::FeatureFileParseException... Generating docs for compound RDKit::FileParseException... Generating docs for compound RDKit::FilterCatalog... Generating docs for compound RDKit::FilterCatalogEntry... Generating docs for compound RDKit::FilterCatalogParams... Generating docs for compound RDKit::FilterData_t... Generating docs for compound RDKit::FilterHierarchyMatcher... Generating docs for compound RDKit::FilterMatch... Generating docs for compound RDKit::FilterMatcherBase... Generating docs for compound RDKit::FilterProperty_t... Generating docs for compound RDKit::FingerprintArguments... Generating docs for compound RDKit::FingerprintFuncArguments... Generating docs for compound RDKit::FingerprintGenerator... Generating docs for compound RDKit::FingerprintVarianceScoreData... Generating docs for compound RDKit::FixedMolSizeMolBundle... Generating docs for compound RDKit::FPBReader... Generating docs for compound RDKit::FPHolderBase... Generati/build/reproducible-path/rdkit-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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' ng docs for compound RDKit::FragCatalogEntry... Generating docs for compound RDKit::FragCatGenerator... Generating docs for compound RDKit::FragCatParams... Generating docs for compound RDKit::FragFPGenerator... Generating docs for compound RDKit::GaResult... Generating docs for compound RDKit::GasteigerParams... Generating docs for compound RDKit::HasPropQuery... Generating docs for compound RDKit::HasPropWithValueQuery... Generating docs for compound RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >... Generating docs for compound RDKit::HasPropWithValueQuery< TargetPtr, std::string >... Generating docs for compound RDKit::HasPropWithValueQueryBase... Generating docs for compound RDKit::HeteroatomIterator_... Generating docs for compound RDKit::KekulizeException... Generating docs for compound RDKit::KeyFromPropHolder... Generating docs for compound RDKit::KeyHolderBase... Generating docs for compound RDKit::larger_of... Generating docs for compound RDKit::ltDouble... Generating docs for compound RDKit::MarvinArrow... Generating docs for compound RDKit::MarvinAtom... Generating docs for compound RDKit::MarvinAttachmentPoint... Generating docs for compound RDKit::MarvinBond... Generating docs for compound RDKit::MarvinBondStereo... Generating docs for compound RDKit::MarvinCondition... Generating docs for compound RDKit::MarvinDataSgroup... Generating docs for compound RDKit::MarvinGenericSgroup... Generating docs for compound RDKit::MarvinMol... Generating docs for compound RDKit::MarvinMolBase... Generating docs for compound RDKit::MarvinMonomerSgroup... Generating docs for compound RDKit::MarvinMulticenterSgroup... Generating docs for compound RDKit::MarvinMultipleSgroup... Generating docs for compound RDKit::MarvinPlus... Generating docs for compound RDKit::MarvinReaction... Generating docs for compound RDKit::MarvinRectangle... Generating docs for compound RDKit::MarvinSruCoModSgroup... Generating docs for compound RDKit::MarvinStereoGroup... Generating docs for compound RDKit::MarvinSuperatomSgroup... Generating docs for compound RDKit::MarvinSuperatomSgroupExpanded... Generating docs for compound RDKit::MarvinWriterException... Generating docs for compound RDKit::MatchingAtomIterator_... Generating docs for compound RDKit::MCSAtomCompareParameters... Generating docs for compound RDKit::MCSBondCompareParameters... Generating docs for compound RDKit::MCSParameters... Generating docs for compound RDKit::MCSProgressData... Generating docs for compound RDKit::MCSResult... Generating docs for compound RDKit::MolBundle... Generating docs for compound RDKit::MolCatalogEntry... Generating docs for compound RDKit::MolCatalogParams... Generating docs for compound RDKit::MolChemicalFeature... Generating docs for compound RDKit::MolChemicalFeatureDef... Generating docs for compound RDKit::MolChemicalFeatureFactory... Generating docs for compound RDKit::MolDraw2D... Generating docs for compound RDKit::MolDraw2DCairo... Generating docs for compound RDKit::MolDraw2DJS... Generating docs for compound RDKit::MolDraw2DQt... Generating docs for compound RDKit::MolDraw2DSVG... Generating docs for compound RDKit::MolDraw2Dwx... Generating docs for compound RDKit::MolDrawOptions... Generating docs for compound RDKit::MolHolder... Generating docs for compound RDKit::MolHolderBase... Generating docs for compound RDKit::MolMatchFinalCheckFunctor... Generating docs for compound RDKit::MolPickler... Generating docs for compound RDKit::MolPicklerException... Generating docs for compound RDKit::MolSanitizeException... Generating docs for compound RDKit::MolWriter... Generating docs for compound RDKit::MolWriterParams... Generating docs for compound RDKit::MolzipParams... Generating docs for compound RDKit::MrvWriterParams... Generating docs for compound RDKit::MultiFPBReader... Generating docs for compound RDKit::PatternHolder... Generating docs for compound RDKit::PDBWriter... Generating docs for compound RDKit::PeriodicTable... Generating docs for compound RDKit::QueryAtom... Generating docs for compound RDKit::QueryAtomIterator_../build/reproducible-path/rdkit-202409.2/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) /build/reproducible-path/rdkit-202409.2/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-202409.2/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202409.2/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-202409.2/Code/GraphMol/Abbreviations/Abbreviations.h:104: 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-202409.2/Code/GraphMol/Fingerprints/FingerprintGenerator.h:123: 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-202409.2/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-202409.2/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-202409.2/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' . Generating docs for compound RDKit::QueryBond... Generating docs for compound RDKit::RandomSampleAllBBsStrategy... Generating docs for compound RDKit::RandomSampleStrategy... Generating docs for compound RDKit::RCore... Generating docs for compound RDKit::RDAny... Generating docs for compound RDKit::RDProps... Generating docs for compound RDKit::RDValue... Generating docs for compound RDKit::ReactionFingerprintParams... Generating docs for compound RDKit::ReactionPickler... Generating docs for compound RDKit::ReactionPicklerException... Generating docs for compound RDKit::RecursiveStructureQuery... Generating docs for compound RDKit::ResonanceMolSupplier... Generating docs for compound RDKit::ResonanceMolSupplierCallback... Generating docs for compound RDKit::RGroupData... Generating docs for compound RDKit::RGroupDecompData... Generating docs for nested compound RDKit::RGroupDecompData::UsedLabels... Generating docs for compound RDKit::RGroupDecomposition... Generating docs for compound RDKit::RGroupDecompositionChromosome... Generating docs for compound RDKit::RGroupDecompositionParameters... Generating docs for compound RDKit::RGroupDecompositionProcessResult... Generating docs for compound RDKit::RGroupGa... Generating docs for compound RDKit::RGroupMatch... Generating docs for compound RDKit::RGroupScorer... Generating docs for compound RDKit::RigorousEnhancedStereoException... Generating docs for compound RDKit::RingInfo... Generating docs for compound RDKit::ROMol... Generating docs for compound RDKit::RWMol... Generating docs for compound RDKit::RxnSanitizeException... Generating docs for compound RDKit::SDWriter... Generating docs for compound RDKit::SLNParseException... Generating docs for compound RDKit::SmartsMatcher... Generating docs for compound RDKit::SmilesWriteParams... Generating docs for compound RDKit::SmilesWriter... Generating docs for compound RDKit::Snapshot... Generating docs for compound RDKit::SparseIntVect... Generating docs for compound RDKit::StereoBondThresholds... Generating docs for compound RDKit::StereoGroup... Generating docs for compound RDKit::SubstanceGroup... Generating docs for nested compound RDKit::SubstanceGroup::AttachPoint... Generating docs for nested compound RDKit::SubstanceGroup::CState... Generating docs for compound RDKit::SubstanceGroupException... Generating docs for compound RDKit::SubstructLibrary... Generating docs for compound RDKit::SubstructMatchParameters... Generating docs for compound RDKit::TautomerPatternHolder... Generating docs for compound RDKit::TautomerQuery... Generating docs for compound RDKit::TDTWriter... Generating docs for compound RDKit::Trajectory... Generating docs for compound RDKit::UnimplementedFPException... Generating docs for compound RDKit::UsedLabelMap... Generating docs for compound RDKit::VarianceDataForLabel... Generating docs for namespace RDKit::Abbreviations Generating docs for compound RDKit::Abbreviations::AbbreviationDefinition... Generating docs for compound RDKit::Abbreviations::AbbreviationMatch... Generating docs for namespace RDKit::Abbreviations::common_properties Generating docs for namespace RDKit::Abbreviations::Utils Generating docs for namespace RDKit::AtomPair Generating docs for compound RDKit::AtomPair::AtomPairArguments... Generating docs for compound RDKit::AtomPair::AtomPairAtomEnv... Generating docs for compound RDKit::AtomPair::AtomPairAtomInvGenerator... Generating docs for compound RDKit::AtomPair::AtomPairEnvGenerator... Generating docs for namespace RDKit::AtomPairs Generating docs for namespace RDKit::Atropisomers Generating docs for namespace RDKit::Canon Generating docs for compound RDKit::Canon::AtomCompareFunctor... Generating docs for compound RDKit::Canon::bondholder... Generating docs for compound RDKit::Canon::canon_atom... Generating docs for compound RDKit::Canon::ChiralAtomCompareFunctor... Generating docs for compound RDKit::Canon::MolStackElem... Generating docs for compound RDKit::Canon::MolStackUnion... Generating docs for compound RDKit::Canon::SpecialChiralityAtomCompareFunctor... Ge/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Chirality.h:404: 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-202409.2/Code/GraphMol/Chirality.h:142: warning: The following parameter of RDKit::Chirality::findPotentialStereo(ROMol &mol, bool cleanIt, bool flagPossible=true) is not documented: parameter 'flagPossible' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Chirality.h:194: warning: The following parameter of RDKit::Chirality::getTrigonalBipyramidalAxialBond(const Atom *center, int which=0) is not documented: parameter 'center' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/CIPLabeler.h:44: warning: The following parameter of RDKit::CIPLabeler::assignCIPLabels(ROMol &mol, unsigned int maxRecursiveIterations=0) is not documented: parameter 'maxRecursiveIterations' /build/reproducible-path/rdkit-202409.2/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-202409.2/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-202409.2/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-202409.2/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h:37: warning: The following parameter of RDKit::DGeomHelpers::setTopolBounds(const ROMol &mol, DistGeom::BoundsMatPtr mmat, bool set15bounds=true, bool scaleVDW=false, bool useMacrocycle14config=false, bool forceTransAmides=true) is not documented: parameter 'forceTransAmides' /build/reproducible-path/rdkit-202409.2/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-202409.2/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202409.2/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-202409.2/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-202409.2/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202409.2/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-202409.2/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-202409.2/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202409.2/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' nerating docs for compound RDKit::Canon::SpecialSymmetryAtomCompareFunctor... Generating docs for namespace RDKit::Canon::detail Generating docs for namespace RDKit::Chirality Generating docs for compound RDKit::Chirality::BondWedgingParameters... Generating docs for compound RDKit::Chirality::StereoInfo... Generating docs for compound RDKit::Chirality::WedgeInfoAtropisomer... Generating docs for compound RDKit::Chirality::WedgeInfoBase... Generating docs for compound RDKit::Chirality::WedgeInfoChiral... Generating docs for namespace RDKit::Chirality::detail Generating docs for namespace RDKit::CIPLabeler Generating docs for compound RDKit::CIPLabeler::AtropisomerBond... Generating docs for compound RDKit::CIPLabeler::CIPMol... Generating docs for compound RDKit::CIPLabeler::CIPMolSpan... Generating docs for nested compound RDKit::CIPLabeler::CIPMolSpan::CIPMolIter... Generating docs for compound RDKit::CIPLabeler::Configuration... Generating docs for compound RDKit::CIPLabeler::Digraph... Generating docs for compound RDKit::CIPLabeler::Edge... Generating docs for compound RDKit::CIPLabeler::MaxIterationsExceeded... Generating docs for compound RDKit::CIPLabeler::Node... Generating docs for compound RDKit::CIPLabeler::PairList... Generating docs for compound RDKit::CIPLabeler::Priority... Generating docs for compound RDKit::CIPLabeler::Rule1a... Generating docs for compound RDKit::CIPLabeler::Rule1b... Generating docs for compound RDKit::CIPLabeler::Rule2... Generating docs for compound RDKit::CIPLabeler::Rule3... Generating docs for compound RDKit::CIPLabeler::Rule4a... Generating docs for compound RDKit::CIPLabeler::Rule4b... Generating docs for compound RDKit::CIPLabeler::Rule4c... Generating docs for compound RDKit::CIPLabeler::Rule5... Generating docs for compound RDKit::CIPLabeler::Rule5New... Generating docs for compound RDKit::CIPLabeler::Rule6... Generating docs for compound RDKit::CIPLabeler::Rules... Generating docs for compound RDKit::CIPLabeler::SequenceRule... Generating docs for compound RDKit::CIPLabeler::Sort... Generating docs for compound RDKit::CIPLabeler::Sp2Bond... Generating docs for compound RDKit::CIPLabeler::Tetrahedral... Generating docs for compound RDKit::CIPLabeler::TooManyNodesException... Generating docs for namespace RDKit::CIPLabeler_detail Generating docs for namespace RDKit::common_properties Generating docs for namespace RDKit::constants Generating docs for namespace RDKit::Deprotect Generating docs for compound RDKit::Deprotect::DeprotectData... Generating docs for namespace RDKit::Descriptors Generating docs for compound RDKit::Descriptors::CrippenParamCollection... Generating docs for compound RDKit::Descriptors::CrippenParams... Generating docs for compound RDKit::Descriptors::DoubleCubicLatticeVolume... Generating docs for compound RDKit::Descriptors::Properties... Generating docs for compound RDKit::Descriptors::PropertyFunctor... Generating docs for namespace RDKit::Descriptors::detail Generating docs for namespace RDKit::detail Generating docs for compound RDKit::detail::MCSParametersInternal... Generating docs for 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::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::Not... Generating docs for compound RDKit::FilterMatchOps::Or... Generating docs for namespace RDKit::FMCS Generating docs for compound RDKit::FMCS::Composition2N... Generating docs for compound RDKit::FMCS::DuplicatedSeedCache... Generating docs for nested compound RDKit::FMCS::DuplicatedSeedCache::TKey... Generating docs for compound RDKit::FMC/build/reproducible-path/rdkit-202409.2/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-202409.2/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-202409.2/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-202409.2/Code/GraphMol/MMPA/MMPA.h:23: 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-202409.2/Code/GraphMol/MMPA/MMPA.h:44: 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-202409.2/Code/GraphMol/MolAlign/AlignMolecules.h:149: warning: argument 'trans' of command @param is not found in the argument list of RDKit::MolAlign::getBestRMS(ROMol &prbMol, const ROMol &refMol, int prbCid=-1, int refCid=-1, const std::vector< MatchVectType > &map=std::vector< MatchVectType >(), int maxMatches=1e6, bool symmetrizeConjugatedTerminalGroups=true, const RDNumeric::DoubleVector *weights=nullptr, int numThreads=1) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/AtomSymbol.h:38: warning: The following parameters of RDKit::MolDraw2D_detail::AtomSymbol::AtomSymbol(const std::string &symbol, int atIdx, OrientType orient, const Point2D &cds, const DrawColour &colour, DrawText &textDrawer) are not documented: parameter 'atIdx' parameter 'cds' parameter 'colour' /build/reproducible-path/rdkit-202409.2/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-202409.2/Code/GraphMol/MolDraw2D/DrawMol.h:45: warning: The following parameters of RDKit::MolDraw2D_detail::DrawMol::DrawMol(const ROMol &mol, const std::string &legend, int width, int height, const MolDrawOptions &drawOptions, DrawText &textDrawer, const std::vector< int > *highlightAtoms=nullptr, const std::vector< int > *highlightBonds=nullptr, const std::map< int, DrawColour > *highlightAtomMap=nullptr, const std::map< int, DrawColour > *highlightBondMap=nullptr, const std::vector< std::pair< DrawColour, DrawColour > > *bondColours=nullptr, const std::map< int, double > *highlight_radii=nullptr, bool includeAnnotations=true, int confId=-1, bool isReactionMol=false) are not documented: parameter 'bondColours' parameter 'highlight_radii' parameter 'includeAnnotations' parameter 'isReactionMol' /build/reproducible-path/rdkit-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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' S::ExecStatistics... Generating docs for compound RDKit::FMCS::Graph... Generating docs for compound RDKit::FMCS::MaximumCommonSubgraph... Generating docs for compound RDKit::FMCS::MolFragment... Generating docs for compound RDKit::FMCS::NewBond... Generating docs for compound RDKit::FMCS::Seed... Generating docs for compound RDKit::FMCS::SeedSet... Generating docs for compound RDKit::FMCS::SubstructureCache... Generating docs for nested compound RDKit::FMCS::SubstructureCache::HashKey... Generating docs for nested compound RDKit::FMCS::SubstructureCache::KeyNumericMetrics... Generating docs for compound RDKit::FMCS::Target... Generating docs for compound RDKit::FMCS::TargetMatch... Generating docs for compound RDKit::FMCS::TArray2D... Generating docs for namespace RDKit::ForceFieldsHelper Generating docs for namespace RDKit::ForceFieldsHelper::detail 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::MolAlign Generating docs for compound RDKit::MolAlign::LAP... Generating docs for compound RDKit::MolAlign::MolAlignException... Generating docs for compound RDKit::MolAlign::MolHistogram... Generating docs for compound RDKit::MolAlign::O3A... Generating docs for compound RDKit::MolAlign::O3AConstraint... Generating docs for compound RDKit::MolAlign::O3AConstraintVect... Generating docs for compound RDKit::MolAlign::O3AFuncData... Generating docs for compound RDKit::MolAlign::SDM... Generating docs for namespace RDKit::MolAlign::details Generating docs for namespace RDKit::MolDraw2D_detail Generating docs for compound RDKit::MolDraw2D_detail::AtomSymbol... Generating docs for compound RDKit::MolDraw2D_detail::DrawAnnotation... Generating docs for compound RDKit::MolDraw2D_detail::DrawMol... Generating docs for compound RDKit::MolDraw2D_detail::DrawMolMCH... Generating docs for compound RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawMolMCHLasso... Generating docs for compound RDKit::MolDraw2D_detail::DrawShape... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeArc... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeArrow... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeDashedWedge... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeEllipse... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapePolyLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeSimpleLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeSolidWedge... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeWavyLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawText... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextCairo... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFT... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTCairo... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTJS... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTQt... Generating docs for compound RD/build/reproducible-path/rdkit-202409.2/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-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:135: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:142: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:142: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:135: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:80: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:87: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:87: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:80: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:209: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:216: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:216: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/MolEnumerator.h:209: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolInterchange/MolInterchange.h:81: 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-202409.2/Code/GraphMol/MolInterchange/MolInterchange.h:90: warning: The following parameter of RDKit::MolInterchange::MolToJSONData(const T &mol, const JSONWriteParameters ¶ms=defaultJSONWriteParameters) is not documented: parameter 'params' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolOps.h:330: warning: The following parameters of RDKit::MolOps::mergeQueryHs(const ROMol &mol, bool mergeUnmappedOnly=false, bool mergeIsotopes=false) are not documented: parameter 'mergeUnmappedOnly' parameter 'mergeIsotopes' Kit::MolDraw2D_detail::DrawTextFTSVG... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextJS... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextNotFT... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextQt... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextSVG... Generating docs for compound RDKit::MolDraw2D_detail::LinePair... Generating docs for compound RDKit::MolDraw2D_detail::StringRect... Generating docs for namespace RDKit::MolDraw2DUtils Generating docs for compound RDKit::MolDraw2DUtils::ContourParams... Generating docs for namespace RDKit::MolEnumerator Generating docs for compound RDKit::MolEnumerator::LinkNode... Generating docs for compound RDKit::MolEnumerator::LinkNodeOp... Generating docs for compound RDKit::MolEnumerator::MolEnumeratorOp... Generating docs for compound RDKit::MolEnumerator::MolEnumeratorParams... Generating docs for compound RDKit::MolEnumerator::PositionVariationOp... Generating docs for compound RDKit::MolEnumerator::RepeatUnitOp... Generating docs for namespace RDKit::MolEnumerator::detail Generating docs for namespace RDKit::MolEnumerator::utils Generating docs for namespace RDKit::MolFragmenter Generating docs for compound RDKit::MolFragmenter::FragmenterBondType... Generating docs for namespace RDKit::MolHash Generating docs for namespace RDKit::MolInterchange Generating docs for compound RDKit::MolInterchange::JSONParseParameters... Generating docs for compound RDKit::MolInterchange::JSONWriteParameters... Generating docs for namespace RDKit::MolOps Generating docs for compound RDKit::MolOps::AdjustQueryParameters... Generating docs for compound RDKit::MolOps::Hybridizations... Generating docs for compound RDKit::MolOps::RemoveHsParameters... Generating docs for namespace RDKit::MolOps::details Generating docs for namespace RDKit::MolProcessing Generating docs for namespace RDKit::MolProcessing::details Generating docs for namespace RDKit::MolShapes Generating docs for namespace RDKit::MolStandardize Generating docs for compound RDKit::MolStandardize::AcidBaseCatalogEntry... Generating docs for compound RDKit::MolStandardize::AcidBaseCatalogParams... Generating docs for compound RDKit::MolStandardize::AllowedAtomsValidation... Generating docs for compound RDKit::MolStandardize::ChargeCorrection... Generating docs for compound RDKit::MolStandardize::CleanupParameters... Generating docs for compound RDKit::MolStandardize::CompositeValidation... Generating docs for compound RDKit::MolStandardize::DisallowedAtomsValidation... Generating docs for compound RDKit::MolStandardize::DisallowedRadicalValidation... Generating docs for compound RDKit::MolStandardize::FeaturesValidation... Generating docs for compound RDKit::MolStandardize::FragmentCatalogEntry... Generating docs for compound RDKit::MolStandardize::FragmentCatalogParams... Generating docs for compound RDKit::MolStandardize::FragmentRemover... Generating docs for compound RDKit::MolStandardize::FragmentValidation... Generating docs for compound RDKit::MolStandardize::Is2DValidation... Generating docs for compound RDKit::MolStandardize::IsotopeValidation... Generating docs for compound RDKit::MolStandardize::LargestFragmentChooser... Generating docs for nested compound RDKit::MolStandardize::LargestFragmentChooser::Largest... Generating docs for compound RDKit::MolStandardize::Layout2DValidation... Generating docs for compound RDKit::MolStandardize::MetalDisconnector... Generating docs for compound RDKit::MolStandardize::MetalDisconnectorOptions... Generating docs for compound RDKit::MolStandardize::MolVSValidation... Generating docs for compound RDKit::MolStandardize::NeutralValidation... Generating docs for compound RDKit::MolStandardize::NoAtomValidation... Generating docs for compound RDKit::MolStandardize::Normalizer... Generating docs for compound RDKit::MolStandardize::Pipeline... Generating docs for compound RDKit::MolStandardize::PipelineLogEntry... Generating docs for compound RDKit::MolStandardize::PipelineOptions... Generating docs for compound RDKit::MolStandardize:/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MorganGenerator.h:204: warning: argument 'countSimulation' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MorganGenerator.h:204: warning: argument 'includeChirality' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MorganGenerator.h:204: warning: argument 'onlyNonzeroInvariants' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MorganGenerator.h:262: warning: argument 'countSimulation' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MorganGenerator.h:262: warning: argument 'includeChirality' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/MorganGenerator.h:262: warning: argument 'onlyNonzeroInvariants' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/FingerprintGenerator.h:123: 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-202409.2/Code/GraphMol/Fingerprints/MorganFingerprints.h:117: warning: The following parameter of RDKit::MorganFingerprints::getHashedFingerprint(const ROMol &mol, unsigned int radius, unsigned int nBits=2048, std::vector< boost::uint32_t > *invariants=nullptr, const std::vector< boost::uint32_t > *fromAtoms=nullptr, bool useChirality=false, bool useBondTypes=true, bool onlyNonzeroInvariants=false, BitInfoMap *atomsSettingBits=nullptr, bool includeRedundantEnvironments=false) is not documented: parameter 'nBits' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/FingerprintGenerator.h:123: 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-202409.2/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-202409.2/Code/GraphMol/SmilesParse/SmilesWrite.h:101: 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) :PipelineResult... Generating docs for compound RDKit::MolStandardize::RDKitValidation... Generating docs for compound RDKit::MolStandardize::Reionizer... Generating docs for compound RDKit::MolStandardize::StereoValidation... Generating docs for compound RDKit::MolStandardize::Tautomer... Generating docs for compound RDKit::MolStandardize::TautomerCatalogEntry... Generating docs for compound RDKit::MolStandardize::TautomerCatalogParams... Generating docs for compound RDKit::MolStandardize::TautomerEnumerator... Generating docs for compound RDKit::MolStandardize::TautomerEnumeratorCallback... Generating docs for compound RDKit::MolStandardize::TautomerEnumeratorResult... Generating docs for nested compound RDKit::MolStandardize::TautomerEnumeratorResult::const_iterator... Generating docs for compound RDKit::MolStandardize::TautomerTransform... Generating docs for compound RDKit::MolStandardize::TransformCatalogEntry... Generating docs for compound RDKit::MolStandardize::TransformCatalogParams... Generating docs for compound RDKit::MolStandardize::Uncharger... Generating docs for compound RDKit::MolStandardize::ValidationMethod... Generating docs for namespace RDKit::MolStandardize::defaults Generating docs for namespace RDKit::MolStandardize::Operations Generating docs for namespace RDKit::MolStandardize::TautomerScoringFunctions Generating docs for namespace RDKit::MorganFingerprint Generating docs for compound RDKit::MorganFingerprint::MorganArguments... Generating docs for compound RDKit::MorganFingerprint::MorganAtomEnv... Generating docs for compound RDKit::MorganFingerprint::MorganAtomInvGenerator... Generating docs for compound RDKit::MorganFingerprint::MorganBondInvGenerator... Generating docs for compound RDKit::MorganFingerprint::MorganEnvGenerator... Generating docs for compound RDKit::MorganFingerprint::MorganFeatureAtomInvGenerator... Generating docs for namespace RDKit::MorganFingerprints Generating docs for compound RDKit::MorganFingerprints::ss_matcher... Generating docs for namespace RDKit::PicklerOps Generating docs for namespace RDKit::PNGData Generating docs for namespace RDKit::QueryOps Generating docs for namespace RDKit::RascalMCES Generating docs for compound RDKit::RascalMCES::PartitionSet... Generating docs for compound RDKit::RascalMCES::RascalClusterOptions... Generating docs for compound RDKit::RascalMCES::RascalOptions... Generating docs for compound RDKit::RascalMCES::RascalResult... Generating docs for namespace RDKit::RascalMCES::details Generating docs for compound RDKit::RascalMCES::details::ClusNode... Generating docs for namespace RDKit::RDKitFP Generating docs for compound RDKit::RDKitFP::RDKitFPArguments... Generating docs for compound RDKit::RDKitFP::RDKitFPAtomEnv... Generating docs for compound RDKit::RDKitFP::RDKitFPAtomInvGenerator... Generating docs for compound RDKit::RDKitFP::RDKitFPEnvGenerator... 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::NetworkEdge... Generating docs for compound RDKit::ScaffoldNetwork::ScaffoldNetwork... Generating docs for compound RDKit::ScaffoldNetwork::ScaffoldNetworkParams... 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 doc/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:94: 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-202409.2/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:94: 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-202409.2/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:32: warning: argument 'useCountSimulation' of command @param is not found in the argument list of RDKit::TopologicalTorsion::TopologicalTorsionArguments::TopologicalTorsionArguments(const bool includeChirality, const uint32_t torsionAtomCount, const bool countSimulation, const std::vector< std::uint32_t > countBounds, const std::uint32_t fpSize) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:32: warning: The following parameter of RDKit::TopologicalTorsion::TopologicalTorsionArguments::TopologicalTorsionArguments(const bool includeChirality, const uint32_t torsionAtomCount, const bool countSimulation, const std::vector< std::uint32_t > countBounds, const std::uint32_t fpSize) is not documented: parameter 'countSimulation' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:68: warning: The following parameter of RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv::TopologicalTorsionAtomEnv(OutputType bitId, INT_VECT atomPath) is not documented: parameter 'atomPath' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/FingerprintGenerator.h:123: warning: The following parameters of RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const are not documented: parameter 'AdditionalOutput' parameter 'fpSize' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/CDXMLParser.h:95: 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-202409.2/Code/GraphMol/FileParsers/CDXMLParser.h:95: 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-202409.2/Code/GraphMol/FileParsers/FileParsers.h:76: warning: argument 'line' from the argument list of RDKit::v1::MolDataStreamToMol has multiple @param documentation sections /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/CDXMLParser.h:46: 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()) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/CDXMLParser.h:46: warning: The following parameter of RDKit::v2::CDXMLParser::MolsFromCDXMLFile(const std::string &filename, const CDXMLParserParams ¶ms=CDXMLParserParams()) is not documented: parameter 'filename' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:176: 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-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:176: 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-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:176: 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-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:176: 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-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:261: warning: argument 'delimiter' of command @param is not found in the argument list of RDKit::v2::FileParsers::SmilesMolSupplier::SmilesMolSupplier(const std::string &fileName, const SmilesMolSupplierParams ¶ms=SmilesMolSupplierParams()) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:261: warning: argument 'smilesColumn' of command @param is not found in the argument list of RDKit::v2::FileParsers::SmilesMolSupplier::SmilesMolSupplier(const std::string &fileName, const SmilesMolSupplierParams ¶ms=SmilesMolSupplierParams()) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:261: warning: argument 'nameColumn' of command @param is not found in the argument list of RDKit::v2::FileParsers::SmilesMolSupplier::SmilesMolSupplier(const std::string &fileName, const SmilesMolSupplierParams ¶ms=SmilesMolSupplierParams()) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:261: warning: argument 'titleLine' of command @param is not found in the argument list of RDKit::v2::FileParsers::SmilesMolSupplier::SmilesMolSupplier(const std::string &fileName, const SmilesMolSupplierParams ¶ms=SmilesMolSupplierParams()) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:261: warning: argument 'sanitize' of command @param is not found in the argument list of RDKit::v2::FileParsers::SmilesMolSupplier::SmilesMolSupplier(const std::string &fileName, const SmilesMolSupplierParams ¶ms=SmilesMolSupplierParams()) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:261: warning: The following parameter of RDKit::v2::FileParsers::SmilesMolSupplier::SmilesMolSupplier(const std::string &fileName, const SmilesMolSupplierParams ¶ms=SmilesMolSupplierParams()) is not documented: parameter 'params' /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:353: warning: argument 'nameRecord' of command @param is not found in the argument list of RDKit::v2::FileParsers::TDTMolSupplier::TDTMolSupplier(const std::string &fileName, const TDTMolSupplierParams ¶ms=TDTMolSupplierParams()) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:353: warning: argument 'confId2D' of command @param is not found in the argument list of RDKit::v2::FileParsers::TDTMolSupplier::TDTMolSupplier(const std::string &fileName, const TDTMolSupplierParams ¶ms=TDTMolSupplierParams()) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:353: warning: argument 'confId3D' of command @param is not found in the argument list of RDKit::v2::FileParsers::TDTMolSupplier::TDTMolSupplier(const std::string &fileName, const TDTMolSupplierParams ¶ms=TDTMolSupplierParams()) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:353: warning: argument 'sanitize' of command @param is not found in the argument list of RDKit::v2::FileParsers::TDTMolSupplier::TDTMolSupplier(const std::string &fileName, const TDTMolSupplierParams ¶ms=TDTMolSupplierParams()) /build/reproducible-path/rdkit-202409.2/Code/GraphMol/FileParsers/MolSupplier.h:353: warning: The following parameter of RDKit::v2::FileParsers::TDTMolSupplier::TDTMolSupplier(const std::string &fileName, const TDTMolSupplierParams ¶ms=TDTMolSupplierParams()) is not documented: parameter 'params' /build/reproducible-path/rdkit-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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-202409.2/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 s for namespace RDKit::StructureCheck Generating docs for compound RDKit::StructureCheck::AugmentedAtom... Generating docs for compound RDKit::StructureCheck::ChargeFix... Generating docs for compound RDKit::StructureCheck::IncEntry... Generating docs for compound RDKit::StructureCheck::Ligand... Generating docs for compound RDKit::StructureCheck::Neighbourhood... Generating docs for compound RDKit::StructureCheck::PathEntry... Generating docs for compound RDKit::StructureCheck::StructChecker... Generating docs for compound RDKit::StructureCheck::StructCheckerOptions... Generating docs for compound RDKit::StructureCheck::StructCheckTautomer... Generating docs for namespace RDKit::Subgraphs Generating docs for namespace RDKit::SubstanceGroupChecks Generating docs for namespace RDKit::TopologicalTorsion Generating docs for compound RDKit::TopologicalTorsion::TopologicalTorsionArguments... Generating docs for compound RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv... Generating docs for compound RDKit::TopologicalTorsion::TopologicalTorsionEnvGenerator... Generating docs for namespace RDKit::UFF Generating docs for namespace RDKit::UFF::Tools Generating docs for compound RDKit::UFF::Tools::DefaultTorsionBondSmarts... Generating docs for namespace RDKit::Utils Generating docs for compound RDKit::Utils::LocaleSwitcher... Generating docs for namespace RDKit::Utils::detail Generating docs for namespace RDKit::v1 Generating docs for compound RDKit::v1::ForwardSDMolSupplier... Generating docs for compound RDKit::v1::MolSupplier... Generating docs for compound RDKit::v1::SDMolSupplier... Generating docs for compound RDKit::v1::SmartsParserParams... Generating docs for compound RDKit::v1::SmilesMolSupplier... Generating docs for compound RDKit::v1::SmilesParserParams... Generating docs for compound RDKit::v1::TDTMolSupplier... Generating docs for namespace RDKit::v2 Generating docs for namespace RDKit::v2::CDXMLParser Generating docs for compound RDKit::v2::CDXMLParser::CDXMLParserParams... Generating docs for namespace RDKit::v2::FileParsers Generating docs for compound RDKit::v2::FileParsers::ForwardSDMolSupplier... Generating docs for compound RDKit::v2::FileParsers::Mol2ParserParams... Generating docs for compound RDKit::v2::FileParsers::MolFileParserParams... Generating docs for compound RDKit::v2::FileParsers::MolFileUnhandledFeatureException... Generating docs for compound RDKit::v2::FileParsers::MolSupplier... Generating docs for compound RDKit::v2::FileParsers::PDBParserParams... Generating docs for compound RDKit::v2::FileParsers::SDMolSupplier... Generating docs for compound RDKit::v2::FileParsers::SmilesMolSupplier... Generating docs for compound RDKit::v2::FileParsers::SmilesMolSupplierParams... Generating docs for compound RDKit::v2::FileParsers::TDTMolSupplier... Generating docs for compound RDKit::v2::FileParsers::TDTMolSupplierParams... Generating docs for compound RDKit::v2::FileParsers::TPLParserParams... Generating docs for namespace RDKit::v2::MarvinParser Generating docs for compound RDKit::v2::MarvinParser::MrvParserParams... Generating docs for namespace RDKit::v2::ReactionParser Generating docs for namespace RDKit::v2::SmilesParse Generating docs for namespace RDLog Generating docs for namespace RDNumeric Generating docs for compound RDNumeric::Matrix... Generating docs for compound RDNumeric::SquareMatrix... Generating docs for compound RDNumeric::SymmMatrix... Generating docs for compound RDNumeric::Vector... 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... 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 35633/65536 hits=212044 misses=39498 symbol lookup cache used 31373/65536 hits=284977 misses=31373 finished... (cd /build/reproducible-path/rdkit-202409.2/Docs/Book; RDBASE=/build/reproducible-path/rdkit-202409.2 /usr/bin/make html) make[2]: Entering directory '/build/reproducible-path/rdkit-202409.2/Docs/Book' mkdir -p _build/html/cppapi cp -r /build/reproducible-path/rdkit-202409.2/Code/docs/* _build/html/cppapi cp -r C++Examples _build/html/ sphinx-build -b html -d _build/doctrees . _build/html Running Sphinx v8.1.3 loading translations [en]... done WARNING: html_static_path entry '_static' does not exist myst v4.0.0: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions=set(), disable_syntax=[], all_links_external=False, links_external_new_tab=False, url_schemes=('http', 'https', 'mailto', 'ftp'), ref_domains=None, fence_as_directive=set(), number_code_blocks=[], title_to_header=False, heading_anchors=0, heading_slug_func=None, html_meta={}, footnote_sort=True, footnote_transition=True, words_per_minute=200, substitutions={}, linkify_fuzzy_links=True, dmath_allow_labels=True, dmath_allow_space=True, dmath_allow_digits=True, dmath_double_inline=False, update_mathjax=True, mathjax_classes='tex2jax_process|mathjax_process|math|output_area', enable_checkboxes=False, suppress_warnings=[], highlight_code_blocks=True) building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 260 source files that are out of date updating environment: [new config] 260 added, 0 changed, 0 removed reading sources... 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/build/reproducible-path/rdkit-202409.2/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython] /build/reproducible-path/rdkit-202409.2/Docs/Book/GettingStartedInPython.rst:3434: WARNING: duplicate label the sssr problem, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython] /build/reproducible-path/rdkit-202409.2/Docs/Book/GettingStartedInPython.rst:3842: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/Cookbook.rst [autosectionlabel.GettingStartedInPython] /build/reproducible-path/rdkit-202409.2/Docs/Book/Install.md:430: WARNING: duplicate label recommended extras, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/Install.md [autosectionlabel.Install] /build/reproducible-path/rdkit-202409.2/Docs/Book/Install.md:474: WARNING: duplicate label testing the build (optional, but recommended), other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/Install.md [autosectionlabel.Install] /build/reproducible-path/rdkit-202409.2/Docs/Book/Install.md:479: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/GettingStartedInPython.rst [autosectionlabel.Install] /build/reproducible-path/rdkit-202409.2/Docs/Book/Overview.md:145: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/Install.md [autosectionlabel.Overview] /build/reproducible-path/rdkit-202409.2/Docs/Book/RDKit_Book.rst:179: WARNING: duplicate label aromaticity, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/RDKit_Book.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202409.2/Docs/Book/RDKit_Book.rst:385: WARNING: duplicate label dative bonds, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/RDKit_Book.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202409.2/Docs/Book/RDKit_Book.rst:536: WARNING: duplicate label stereochemistry, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/Cookbook.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202409.2/Docs/Book/RDKit_Book.rst:1265: WARNING: duplicate label chemical features, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/GettingStartedInPython.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202409.2/Docs/Book/RDKit_Book.rst:2465: WARNING: duplicate label introduction, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/Cookbook.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202409.2/Docs/Book/RDKit_Book.rst:2563: WARNING: duplicate label rdkit fingerprints, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/GettingStartedInPython.rst [autosectionlabel.RDKit_Book] /build/reproducible-path/rdkit-202409.2/Docs/Book/RDKit_Book.rst:2729: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/Overview.md [autosectionlabel.RDKit_Book] WARNING: autodoc: failed to import module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Avalon' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Avalon.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Avalon] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Avalon.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Avalon] WARNING: autodoc: failed to import module 'Avalon.pyAvalonTools' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Chem] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst:28: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Avalon.rst [autosectionlabel.source/rdkit.Chem] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst:114: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Avalon.rst [autosectionlabel.source/rdkit.Chem] WARNING: autodoc: failed to import module 'Chem.AllChem' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.AtomPairs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.AtomPairs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.Chem.AtomPairs] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.AtomPairs.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.Chem.AtomPairs] WARNING: autodoc: failed to import module 'Chem.AtomPairs.Pairs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.AtomPairs.Sheridan' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.AtomPairs.Torsions' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.AtomPairs.Utils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.BRICS' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.BuildFragmentCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.ChemUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.AtomPairs.rst [autosectionlabel.source/rdkit.Chem.ChemUtils] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.ChemUtils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.AtomPairs.rst [autosectionlabel.source/rdkit.Chem.ChemUtils] WARNING: autodoc: failed to import module 'Chem.ChemUtils.AlignDepict' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemUtils.BulkTester' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemUtils.DescriptorUtilities' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemUtils.SDFToCSV' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemUtils.TemplateExpand' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemicalFeatures' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemicalForceFields' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Crippen' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Descriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Descriptors3D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Draw' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Draw.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.ChemUtils.rst [autosectionlabel.source/rdkit.Chem.Draw] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Draw.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.ChemUtils.rst [autosectionlabel.source/rdkit.Chem.Draw] WARNING: autodoc: failed to import module 'Chem.Draw.IPythonConsole' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Draw.MolDrawing' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Draw.SimilarityMaps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Draw.rdMolDraw2D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Draw.rdMolDraw2DQt' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EState' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.EState.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Draw.rst [autosectionlabel.source/rdkit.Chem.EState] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.EState.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Draw.rst [autosectionlabel.source/rdkit.Chem.EState] WARNING: autodoc: failed to import module 'Chem.EState.AtomTypes' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EState.EState' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EState.EState_VSA' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EState.Fingerprinter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EnumerateHeterocycles' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EnumerateStereoisomers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FastSDMolSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FeatFinderCLI' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FeatMaps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.FeatMaps.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.EState.rst [autosectionlabel.source/rdkit.Chem.FeatMaps] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.FeatMaps.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.EState.rst [autosectionlabel.source/rdkit.Chem.FeatMaps] WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMapParser' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMapPoint' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMapUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMaps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Features' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Features.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.FeatMaps.rst [autosectionlabel.source/rdkit.Chem.Features] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Features.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.FeatMaps.rst [autosectionlabel.source/rdkit.Chem.Features] WARNING: autodoc: failed to import module 'Chem.Features.FeatDirUtilsRD' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Features.ShowFeats' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FilterCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fingerprints' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fingerprints.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Features.rst [autosectionlabel.source/rdkit.Chem.Fingerprints] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fingerprints.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Features.rst [autosectionlabel.source/rdkit.Chem.Fingerprints] WARNING: autodoc: failed to import module 'Chem.Fingerprints.ClusterMols' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fingerprints.DbFpSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fingerprints.FingerprintMols' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fingerprints.MolSimilarity' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fingerprints.SimilarityScreener' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fraggle' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fraggle.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fingerprints.rst [autosectionlabel.source/rdkit.Chem.Fraggle] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fraggle.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fingerprints.rst [autosectionlabel.source/rdkit.Chem.Fraggle] WARNING: autodoc: failed to import module 'Chem.Fraggle.FraggleSim' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FragmentCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FragmentMatcher' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fragments' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FunctionalGroups' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.GraphDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Graphs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Lipinski' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MACCSkeys' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolDb' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolDb.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fraggle.rst [autosectionlabel.source/rdkit.Chem.MolDb] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolDb.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fraggle.rst [autosectionlabel.source/rdkit.Chem.MolDb] WARNING: autodoc: failed to import module 'Chem.MolDb.FingerprintUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolDb.Loader' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolDb.Loader_orig' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolDb.Loader_sa' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolKey' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolKey.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolDb.rst [autosectionlabel.source/rdkit.Chem.MolKey] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolKey.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolDb.rst [autosectionlabel.source/rdkit.Chem.MolKey] WARNING: autodoc: failed to import module 'Chem.MolKey.InchiInfo' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolKey.MolKey' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolStandardize.rst:6: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolKey.rst [autosectionlabel.source/rdkit.Chem.MolStandardize] WARNING: autodoc: failed to import module 'Chem.MolStandardize.rdMolStandardize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolSurf' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.PandasTools' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.PeriodicTable' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm2D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm2D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolStandardize.rst [autosectionlabel.source/rdkit.Chem.Pharm2D] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm2D.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolKey.rst [autosectionlabel.source/rdkit.Chem.Pharm2D] WARNING: autodoc: failed to import module 'Chem.Pharm2D.Generate' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm2D.Gobbi_Pharm2D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm2D.Matcher' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm2D.SigFactory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm2D.Utils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm3D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm3D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm2D.rst [autosectionlabel.source/rdkit.Chem.Pharm3D] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm3D.rst:14: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm2D.rst [autosectionlabel.source/rdkit.Chem.Pharm3D] WARNING: autodoc: failed to import module 'Chem.Pharm3D.EmbedLib' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm3D.ExcludedVolume' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm3D.Pharmacophore' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.PropertyMol' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.PyMol' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.QED' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Randomize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Recap' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ReducedGraphs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.RegistrationHash' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.SATIS' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.SaltRemover' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Scaffolds' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Scaffolds.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm3D.rst [autosectionlabel.source/rdkit.Chem.Scaffolds] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Scaffolds.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm3D.rst [autosectionlabel.source/rdkit.Chem.Scaffolds] WARNING: autodoc: failed to import module 'Chem.Scaffolds.MurckoScaffold' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Scaffolds.rdScaffoldNetwork' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ShowMols' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.SimpleEnum' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Scaffolds.rst [autosectionlabel.source/rdkit.Chem.SimpleEnum] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Scaffolds.rst [autosectionlabel.source/rdkit.Chem.SimpleEnum] WARNING: autodoc: failed to import module 'Chem.SimpleEnum.Enumerator' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.SpacialScore' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Subshape' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Subshape.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.SimpleEnum.rst [autosectionlabel.source/rdkit.Chem.Subshape] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Subshape.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.SimpleEnum.rst [autosectionlabel.source/rdkit.Chem.Subshape] WARNING: autodoc: failed to import module 'Chem.Subshape.BuilderUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Subshape.SubshapeAligner' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Subshape.SubshapeBuilder' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Subshape.SubshapeObjects' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Suppliers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Suppliers.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Subshape.rst [autosectionlabel.source/rdkit.Chem.Suppliers] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Suppliers.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Subshape.rst [autosectionlabel.source/rdkit.Chem.Suppliers] WARNING: autodoc: failed to import module 'Chem.Suppliers.DbMolSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Suppliers.MolSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.TemplateAlign' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.TorsionFingerprints' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.fmcs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.fmcs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Suppliers.rst [autosectionlabel.source/rdkit.Chem.fmcs] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.fmcs.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Suppliers.rst [autosectionlabel.source/rdkit.Chem.fmcs] WARNING: autodoc: failed to import module 'Chem.fmcs.fmcs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.inchi' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdAbbreviations' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdCIPLabeler' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdChemReactions' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdChemicalFeatures' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdCoordGen' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdDepictor' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdDeprotect' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdDetermineBonds' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdDistGeom' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdEHTTools' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdFMCS' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdFingerprintGenerator' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdForceFieldHelpers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdFreeSASA' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMHFPFingerprint' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMMPA' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolAlign' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolChemicalFeatures' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolEnumerator' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolHash' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolInterchange' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolTransforms' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdPartialCharges' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdRGroupDecomposition' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdReducedGraphs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdSLNParse' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdShapeAlign' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdShapeHelpers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdSubstructLibrary' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdTautomerQuery' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdchem' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdfiltercatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdfragcatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdinchi' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdmolfiles' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdmolops' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdqueries' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdtrajectory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataManip' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.DataManip] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.fmcs.rst [autosectionlabel.source/rdkit.DataManip] WARNING: autodoc: failed to import module 'DataManip.Metric' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.Metric.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.fmcs.rst [autosectionlabel.source/rdkit.DataManip.Metric] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.Metric.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.rst [autosectionlabel.source/rdkit.DataManip.Metric] WARNING: autodoc: failed to import module 'DataManip.Metric.rdMetricMatrixCalc' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataStructs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.Metric.rst [autosectionlabel.source/rdkit.DataStructs] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataStructs.rst:18: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.Metric.rst [autosectionlabel.source/rdkit.DataStructs] WARNING: autodoc: failed to import module 'DataStructs.BitEnsemble' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.BitEnsembleDb' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.BitUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.LazySignature' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.TopNContainer' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.VectCollection' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.cDataStructs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Dbase.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataStructs.rst [autosectionlabel.source/rdkit.Dbase] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Dbase.rst:17: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataStructs.rst [autosectionlabel.source/rdkit.Dbase] WARNING: autodoc: failed to import module 'Dbase.DbConnection' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase.DbInfo' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase.DbModule' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase.DbResultSet' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase.DbUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase.StorageUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DistanceGeometry' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DistanceGeometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Dbase.rst [autosectionlabel.source/rdkit.DistanceGeometry] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DistanceGeometry.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Dbase.rst [autosectionlabel.source/rdkit.DistanceGeometry] WARNING: autodoc: failed to import module 'DistanceGeometry.DistGeom' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ForceField.rst:5: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] WARNING: autodoc: failed to import module 'ForceField' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ForceField.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DistanceGeometry.rst [autosectionlabel.source/rdkit.ForceField] WARNING: autodoc: failed to import module 'ForceField.rdForceField' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Geometry' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Geometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DistanceGeometry.rst [autosectionlabel.source/rdkit.Geometry] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Geometry.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ForceField.rst [autosectionlabel.source/rdkit.Geometry] WARNING: autodoc: failed to import module 'Geometry.rdGeometry' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.rst [autosectionlabel.source/rdkit.ML] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst:18: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Geometry.rst [autosectionlabel.source/rdkit.ML] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst:26: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Geometry.rst [autosectionlabel.source/rdkit.ML] WARNING: autodoc: failed to import module 'ML.Cluster' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Cluster.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.ML.Cluster] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Cluster.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.ML.Cluster] WARNING: autodoc: failed to import module 'ML.Cluster.Butina' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.ClusterUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.ClusterVis' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.Clustering' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.Clusters' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.Murtagh' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.Resemblance' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.Standardize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Data.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Cluster.rst [autosectionlabel.source/rdkit.ML.Data] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Data.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Cluster.rst [autosectionlabel.source/rdkit.ML.Data] WARNING: autodoc: failed to import module 'ML.Data.DataUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.FindQuantBounds' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.MLData' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.Quantize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.SplitData' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.Stats' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.Transforms' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.cQuantize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Descriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Descriptors.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Data.rst [autosectionlabel.source/rdkit.ML.Descriptors] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Descriptors.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Data.rst [autosectionlabel.source/rdkit.ML.Descriptors] WARNING: autodoc: failed to import module 'ML.Descriptors.CompoundDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Descriptors.Descriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Descriptors.MoleculeDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Descriptors.Parser' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.InfoTheory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.InfoTheory.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Descriptors.rst [autosectionlabel.source/rdkit.ML.InfoTheory] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.InfoTheory.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Descriptors.rst [autosectionlabel.source/rdkit.ML.InfoTheory] WARNING: autodoc: failed to import module 'ML.InfoTheory.BitClusterer' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.InfoTheory.BitRank' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.InfoTheory.entropy' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.InfoTheory.rdInfoTheory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.MLUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.MLUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.InfoTheory.rst [autosectionlabel.source/rdkit.ML.MLUtils] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.MLUtils.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.InfoTheory.rst [autosectionlabel.source/rdkit.ML.MLUtils] WARNING: autodoc: failed to import module 'ML.MLUtils.VoteImg' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.MatOps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.SLT' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.SLT.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.MLUtils.rst [autosectionlabel.source/rdkit.ML.SLT] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.SLT.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.MLUtils.rst [autosectionlabel.source/rdkit.ML.SLT] WARNING: autodoc: failed to import module 'ML.SLT.Risk' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Scoring' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Scoring.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.SLT.rst [autosectionlabel.source/rdkit.ML.Scoring] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Scoring.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.SLT.rst [autosectionlabel.source/rdkit.ML.Scoring] WARNING: autodoc: failed to import module 'ML.Scoring.Scoring' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.files' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Numerics' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Numerics.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Scoring.rst [autosectionlabel.source/rdkit.Numerics] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Numerics.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Scoring.rst [autosectionlabel.source/rdkit.Numerics] WARNING: autodoc: failed to import module 'Numerics.rdAlignment' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'RDConfig' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'RDLogger' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'RDPaths' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'RDRandom' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'SimDivFilters' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.SimDivFilters.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Numerics.rst [autosectionlabel.source/rdkit.SimDivFilters] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.SimDivFilters.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Numerics.rst [autosectionlabel.source/rdkit.SimDivFilters] WARNING: autodoc: failed to import module 'SimDivFilters.SimilarityPickers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'SimDivFilters.rdSimDivPickers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'TestRunner' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.VLib] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.rst:12: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.SimDivFilters.rst [autosectionlabel.source/rdkit.VLib] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.rst:23: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.SimDivFilters.rst [autosectionlabel.source/rdkit.VLib] WARNING: autodoc: failed to import module 'VLib.Filter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.Node' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.NodeLib.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.rst [autosectionlabel.source/rdkit.VLib.NodeLib] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.NodeLib.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.rst [autosectionlabel.source/rdkit.VLib.NodeLib] WARNING: autodoc: failed to import module 'VLib.NodeLib.DbMolSupply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.DbPickleSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SDSupply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SmartsMolFilter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SmartsRemover' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SmilesDupeFilter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SmilesOutput' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SmilesSupply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.Output' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.Supply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.Transform' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'rdBase' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'utils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.utils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.NodeLib.rst [autosectionlabel.source/rdkit.utils] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.utils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.NodeLib.rst [autosectionlabel.source/rdkit.utils] WARNING: autodoc: failed to import module 'utils.cactvs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'utils.chemutils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'utils.fileutils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'utils.listutils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'utils.spiral' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] looking for now-outdated files... none found pickling environment... done checking consistency... /build/reproducible-path/rdkit-202409.2/Docs/Book/data/README.md: WARNING: document isn't included in any toctree done preparing documents... done copying assets... copying downloadable files... [ 5%] C++Examples/example1.cpp copying downloadable files... [ 11%] C++Examples/example2.cpp copying downloadable files... [ 16%] C++Examples/example3.cpp copying downloadable files... [ 21%] C++Examples/example4.cpp copying downloadable files... [ 26%] C++Examples/example5.cpp copying downloadable files... [ 32%] C++Examples/example6.cpp copying downloadable files... [ 37%] C++Examples/example7.cpp copying downloadable files... [ 42%] C++Examples/example8.cpp copying downloadable files... [ 47%] C++Examples/example9.cpp copying downloadable files... [ 53%] ../Code/GraphMol/Bond.h copying downloadable files... [ 58%] C++Examples/example10.cpp copying downloadable files... [ 63%] C++Examples/CMakeLists.txt copying downloadable files... [ 68%] C++Examples/example11.cpp copying downloadable files... [ 74%] C++Examples/example12.cpp copying downloadable files... [ 79%] C++Examples/example13.cpp copying downloadable files... [ 84%] C++Examples/example17.cpp copying downloadable files... [ 89%] C++Examples/example14.cpp copying downloadable files... [ 95%] C++Examples/example15.cpp copying downloadable files... [100%] C++Examples/example16.cpp copying static files... Writing evaluated template result to /build/reproducible-path/rdkit-202409.2/Docs/Book/_build/html/_static/language_data.js Writing evaluated template result to /build/reproducible-path/rdkit-202409.2/Docs/Book/_build/html/_static/documentation_options.js Writing evaluated template result to /build/reproducible-path/rdkit-202409.2/Docs/Book/_build/html/_static/basic.css Writing evaluated template result to /build/reproducible-path/rdkit-202409.2/Docs/Book/_build/html/_static/sphinxdoc.css copying static files: done copying extra files... copying extra files: done copying assets: done writing output... [ 0%] BackwardsIncompatibleChanges writing output... [ 1%] Cartridge writing output... [ 1%] Cookbook writing output... [ 2%] GettingStartedInC++ writing output... [ 2%] GettingStartedInPython writing output... [ 2%] Install writing output... [ 3%] Overview writing output... [ 3%] RDKit_Book writing output... [ 3%] api-docs writing output... [ 4%] data/README writing output... [ 4%] index writing output... [ 5%] source/rdkit writing output... [ 5%] source/rdkit.Avalon writing output... [ 5%] source/rdkit.Avalon.pyAvalonTools writing output... [ 6%] source/rdkit.Chem writing output... [ 6%] source/rdkit.Chem.AllChem writing output... [ 7%] source/rdkit.Chem.AtomPairs writing output... [ 7%] source/rdkit.Chem.AtomPairs.Pairs writing output... [ 7%] source/rdkit.Chem.AtomPairs.Sheridan writing output... [ 8%] source/rdkit.Chem.AtomPairs.Torsions writing output... [ 8%] source/rdkit.Chem.AtomPairs.Utils writing output... [ 8%] source/rdkit.Chem.BRICS writing output... [ 9%] source/rdkit.Chem.BuildFragmentCatalog writing output... [ 9%] source/rdkit.Chem.ChemUtils writing output... [ 10%] source/rdkit.Chem.ChemUtils.AlignDepict writing output... 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The HTML pages are in _build/html. make[2]: Leaving directory '/build/reproducible-path/rdkit-202409.2/Docs/Book' (cd /build/reproducible-path/rdkit-202409.2/Docs/Book; RDBASE=/build/reproducible-path/rdkit-202409.2 /usr/bin/make latexpdf) make[2]: Entering directory '/build/reproducible-path/rdkit-202409.2/Docs/Book' mkdir -p _build/html/cppapi cp -r /build/reproducible-path/rdkit-202409.2/Code/docs/* _build/html/cppapi sphinx-build -b latex -d _build/doctrees . _build/latex Running Sphinx v8.1.3 loading translations [en]... done making output directory... done WARNING: html_static_path entry '_static' does not exist loading pickled environment... done myst v4.0.0: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions=set(), disable_syntax=[], all_links_external=False, links_external_new_tab=False, url_schemes=('http', 'https', 'mailto', 'ftp'), ref_domains=None, fence_as_directive=set(), number_code_blocks=[], title_to_header=False, heading_anchors=0, heading_slug_func=None, html_meta={}, footnote_sort=True, footnote_transition=True, words_per_minute=200, substitutions={}, linkify_fuzzy_links=True, dmath_allow_labels=True, dmath_allow_space=True, dmath_allow_digits=True, dmath_double_inline=False, update_mathjax=True, mathjax_classes='tex2jax_process|mathjax_process|math|output_area', enable_checkboxes=False, suppress_warnings=[], highlight_code_blocks=True) building [mo]: targets for 0 po files that are out of date writing output... building [latex]: all documents updating environment: 0 added, 248 changed, 0 removed reading sources... 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[100%] source/rdkit.utils.spiral WARNING: autodoc: failed to import module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.rst [autosectionlabel.source/rdkit] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.rst:24: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.utils.rst [autosectionlabel.source/rdkit] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.rst:36: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.utils.rst [autosectionlabel.source/rdkit] WARNING: autodoc: failed to import module 'Avalon' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Avalon.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Avalon] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Avalon.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Avalon] WARNING: autodoc: failed to import module 'Avalon.pyAvalonTools' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Chem] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst:28: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Avalon.rst [autosectionlabel.source/rdkit.Chem] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst:114: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Avalon.rst [autosectionlabel.source/rdkit.Chem] WARNING: autodoc: failed to import module 'Chem.AllChem' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.AtomPairs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.AtomPairs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.Chem.AtomPairs] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.AtomPairs.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.Chem.AtomPairs] WARNING: autodoc: failed to import module 'Chem.AtomPairs.Pairs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.AtomPairs.Sheridan' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.AtomPairs.Torsions' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.AtomPairs.Utils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.BRICS' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.BuildFragmentCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.ChemUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.AtomPairs.rst [autosectionlabel.source/rdkit.Chem.ChemUtils] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.ChemUtils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.AtomPairs.rst [autosectionlabel.source/rdkit.Chem.ChemUtils] WARNING: autodoc: failed to import module 'Chem.ChemUtils.AlignDepict' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemUtils.BulkTester' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemUtils.DescriptorUtilities' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemUtils.SDFToCSV' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemUtils.TemplateExpand' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemicalFeatures' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ChemicalForceFields' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Crippen' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Descriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Descriptors3D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Draw' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Draw.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.ChemUtils.rst [autosectionlabel.source/rdkit.Chem.Draw] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Draw.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.ChemUtils.rst [autosectionlabel.source/rdkit.Chem.Draw] WARNING: autodoc: failed to import module 'Chem.Draw.IPythonConsole' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Draw.MolDrawing' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Draw.SimilarityMaps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Draw.rdMolDraw2D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Draw.rdMolDraw2DQt' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EState' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.EState.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Draw.rst [autosectionlabel.source/rdkit.Chem.EState] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.EState.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Draw.rst [autosectionlabel.source/rdkit.Chem.EState] WARNING: autodoc: failed to import module 'Chem.EState.AtomTypes' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EState.EState' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EState.EState_VSA' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EState.Fingerprinter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EnumerateHeterocycles' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.EnumerateStereoisomers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FastSDMolSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FeatFinderCLI' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FeatMaps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.FeatMaps.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.EState.rst [autosectionlabel.source/rdkit.Chem.FeatMaps] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.FeatMaps.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.EState.rst [autosectionlabel.source/rdkit.Chem.FeatMaps] WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMapParser' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMapPoint' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMapUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMaps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Features' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Features.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.FeatMaps.rst [autosectionlabel.source/rdkit.Chem.Features] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Features.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.FeatMaps.rst [autosectionlabel.source/rdkit.Chem.Features] WARNING: autodoc: failed to import module 'Chem.Features.FeatDirUtilsRD' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Features.ShowFeats' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FilterCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fingerprints' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fingerprints.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Features.rst [autosectionlabel.source/rdkit.Chem.Fingerprints] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fingerprints.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Features.rst [autosectionlabel.source/rdkit.Chem.Fingerprints] WARNING: autodoc: failed to import module 'Chem.Fingerprints.ClusterMols' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fingerprints.DbFpSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fingerprints.FingerprintMols' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fingerprints.MolSimilarity' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fingerprints.SimilarityScreener' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fraggle' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fraggle.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fingerprints.rst [autosectionlabel.source/rdkit.Chem.Fraggle] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fraggle.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fingerprints.rst [autosectionlabel.source/rdkit.Chem.Fraggle] WARNING: autodoc: failed to import module 'Chem.Fraggle.FraggleSim' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FragmentCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FragmentMatcher' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Fragments' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.FunctionalGroups' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.GraphDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Graphs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Lipinski' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MACCSkeys' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolDb' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolDb.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fraggle.rst [autosectionlabel.source/rdkit.Chem.MolDb] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolDb.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Fraggle.rst [autosectionlabel.source/rdkit.Chem.MolDb] WARNING: autodoc: failed to import module 'Chem.MolDb.FingerprintUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolDb.Loader' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolDb.Loader_orig' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolDb.Loader_sa' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolKey' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolKey.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolDb.rst [autosectionlabel.source/rdkit.Chem.MolKey] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolKey.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolDb.rst [autosectionlabel.source/rdkit.Chem.MolKey] WARNING: autodoc: failed to import module 'Chem.MolKey.InchiInfo' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolKey.MolKey' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolStandardize.rdMolStandardize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.MolSurf' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.PandasTools' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.PeriodicTable' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm2D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm2D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolKey.rst [autosectionlabel.source/rdkit.Chem.Pharm2D] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm2D.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.MolKey.rst [autosectionlabel.source/rdkit.Chem.Pharm2D] WARNING: autodoc: failed to import module 'Chem.Pharm2D.Generate' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm2D.Gobbi_Pharm2D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm2D.Matcher' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm2D.SigFactory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm2D.Utils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm3D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm3D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm2D.rst [autosectionlabel.source/rdkit.Chem.Pharm3D] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm3D.rst:14: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm2D.rst [autosectionlabel.source/rdkit.Chem.Pharm3D] WARNING: autodoc: failed to import module 'Chem.Pharm3D.EmbedLib' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm3D.ExcludedVolume' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Pharm3D.Pharmacophore' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.PropertyMol' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.PyMol' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.QED' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Randomize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Recap' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ReducedGraphs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.RegistrationHash' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.SATIS' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.SaltRemover' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Scaffolds' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Scaffolds.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm3D.rst [autosectionlabel.source/rdkit.Chem.Scaffolds] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Scaffolds.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Pharm3D.rst [autosectionlabel.source/rdkit.Chem.Scaffolds] WARNING: autodoc: failed to import module 'Chem.Scaffolds.MurckoScaffold' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Scaffolds.rdScaffoldNetwork' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.ShowMols' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.SimpleEnum' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Scaffolds.rst [autosectionlabel.source/rdkit.Chem.SimpleEnum] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Scaffolds.rst [autosectionlabel.source/rdkit.Chem.SimpleEnum] WARNING: autodoc: failed to import module 'Chem.SimpleEnum.Enumerator' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.SpacialScore' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Subshape' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Subshape.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.SimpleEnum.rst [autosectionlabel.source/rdkit.Chem.Subshape] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Subshape.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.SimpleEnum.rst [autosectionlabel.source/rdkit.Chem.Subshape] WARNING: autodoc: failed to import module 'Chem.Subshape.BuilderUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Subshape.SubshapeAligner' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Subshape.SubshapeBuilder' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Subshape.SubshapeObjects' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Suppliers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Suppliers.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Subshape.rst [autosectionlabel.source/rdkit.Chem.Suppliers] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Suppliers.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Subshape.rst [autosectionlabel.source/rdkit.Chem.Suppliers] WARNING: autodoc: failed to import module 'Chem.Suppliers.DbMolSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.Suppliers.MolSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.TemplateAlign' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.TorsionFingerprints' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.fmcs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.fmcs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Suppliers.rst [autosectionlabel.source/rdkit.Chem.fmcs] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.fmcs.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.Suppliers.rst [autosectionlabel.source/rdkit.Chem.fmcs] WARNING: autodoc: failed to import module 'Chem.fmcs.fmcs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.inchi' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdAbbreviations' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdCIPLabeler' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdChemReactions' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdChemicalFeatures' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdCoordGen' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdDepictor' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdDeprotect' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdDetermineBonds' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdDistGeom' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdEHTTools' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdFMCS' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdFingerprintGenerator' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdForceFieldHelpers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdFreeSASA' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMHFPFingerprint' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMMPA' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolAlign' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolChemicalFeatures' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolEnumerator' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolHash' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolInterchange' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdMolTransforms' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdPartialCharges' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdRGroupDecomposition' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdReducedGraphs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdSLNParse' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdShapeAlign' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdShapeHelpers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdSubstructLibrary' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdTautomerQuery' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdchem' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdfiltercatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdfragcatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdinchi' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdmolfiles' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdmolops' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdqueries' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Chem.rdtrajectory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataManip' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.DataManip] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.fmcs.rst [autosectionlabel.source/rdkit.DataManip] WARNING: autodoc: failed to import module 'DataManip.Metric' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.Metric.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Chem.fmcs.rst [autosectionlabel.source/rdkit.DataManip.Metric] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.Metric.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.rst [autosectionlabel.source/rdkit.DataManip.Metric] WARNING: autodoc: failed to import module 'DataManip.Metric.rdMetricMatrixCalc' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataStructs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.Metric.rst [autosectionlabel.source/rdkit.DataStructs] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataStructs.rst:18: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.Metric.rst [autosectionlabel.source/rdkit.DataStructs] WARNING: autodoc: failed to import module 'DataStructs.BitEnsemble' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.BitEnsembleDb' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.BitUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.LazySignature' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.TopNContainer' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.VectCollection' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DataStructs.cDataStructs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Dbase.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataStructs.rst [autosectionlabel.source/rdkit.Dbase] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Dbase.rst:17: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataStructs.rst [autosectionlabel.source/rdkit.Dbase] WARNING: autodoc: failed to import module 'Dbase.DbConnection' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase.DbInfo' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase.DbModule' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase.DbResultSet' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase.DbUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Dbase.StorageUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'DistanceGeometry' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DistanceGeometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Dbase.rst [autosectionlabel.source/rdkit.DistanceGeometry] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DistanceGeometry.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Dbase.rst [autosectionlabel.source/rdkit.DistanceGeometry] WARNING: autodoc: failed to import module 'DistanceGeometry.DistGeom' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ForceField.rst:5: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] WARNING: autodoc: failed to import module 'ForceField' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ForceField.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DistanceGeometry.rst [autosectionlabel.source/rdkit.ForceField] WARNING: autodoc: failed to import module 'ForceField.rdForceField' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Geometry' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Geometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DistanceGeometry.rst [autosectionlabel.source/rdkit.Geometry] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Geometry.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ForceField.rst [autosectionlabel.source/rdkit.Geometry] WARNING: autodoc: failed to import module 'Geometry.rdGeometry' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.DataManip.rst [autosectionlabel.source/rdkit.ML] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst:18: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Geometry.rst [autosectionlabel.source/rdkit.ML] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst:26: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Geometry.rst [autosectionlabel.source/rdkit.ML] WARNING: autodoc: failed to import module 'ML.Cluster' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Cluster.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.ML.Cluster] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Cluster.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.ML.Cluster] WARNING: autodoc: failed to import module 'ML.Cluster.Butina' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.ClusterUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.ClusterVis' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.Clustering' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.Clusters' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.Murtagh' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.Resemblance' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Cluster.Standardize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Data.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Cluster.rst [autosectionlabel.source/rdkit.ML.Data] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Data.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Cluster.rst [autosectionlabel.source/rdkit.ML.Data] WARNING: autodoc: failed to import module 'ML.Data.DataUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.FindQuantBounds' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.MLData' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.Quantize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.SplitData' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.Stats' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.Transforms' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Data.cQuantize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Descriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Descriptors.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Data.rst [autosectionlabel.source/rdkit.ML.Descriptors] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Descriptors.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Data.rst [autosectionlabel.source/rdkit.ML.Descriptors] WARNING: autodoc: failed to import module 'ML.Descriptors.CompoundDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Descriptors.Descriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Descriptors.MoleculeDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Descriptors.Parser' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.InfoTheory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.InfoTheory.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Descriptors.rst [autosectionlabel.source/rdkit.ML.InfoTheory] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.InfoTheory.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Descriptors.rst [autosectionlabel.source/rdkit.ML.InfoTheory] WARNING: autodoc: failed to import module 'ML.InfoTheory.BitClusterer' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.InfoTheory.BitRank' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.InfoTheory.entropy' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.InfoTheory.rdInfoTheory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.MLUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.MLUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.InfoTheory.rst [autosectionlabel.source/rdkit.ML.MLUtils] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.MLUtils.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.InfoTheory.rst [autosectionlabel.source/rdkit.ML.MLUtils] WARNING: autodoc: failed to import module 'ML.MLUtils.VoteImg' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.MatOps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.SLT' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.SLT.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.MLUtils.rst [autosectionlabel.source/rdkit.ML.SLT] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.SLT.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.MLUtils.rst [autosectionlabel.source/rdkit.ML.SLT] WARNING: autodoc: failed to import module 'ML.SLT.Risk' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.Scoring' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Scoring.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.SLT.rst [autosectionlabel.source/rdkit.ML.Scoring] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Scoring.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.SLT.rst [autosectionlabel.source/rdkit.ML.Scoring] WARNING: autodoc: failed to import module 'ML.Scoring.Scoring' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'ML.files' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'Numerics' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Numerics.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Scoring.rst [autosectionlabel.source/rdkit.Numerics] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Numerics.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.Scoring.rst [autosectionlabel.source/rdkit.Numerics] WARNING: autodoc: failed to import module 'Numerics.rdAlignment' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'RDConfig' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'RDLogger' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'RDPaths' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'RDRandom' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'SimDivFilters' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.SimDivFilters.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Numerics.rst [autosectionlabel.source/rdkit.SimDivFilters] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.SimDivFilters.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.Numerics.rst [autosectionlabel.source/rdkit.SimDivFilters] WARNING: autodoc: failed to import module 'SimDivFilters.SimilarityPickers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'SimDivFilters.rdSimDivPickers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'TestRunner' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.VLib] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.rst:12: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.SimDivFilters.rst [autosectionlabel.source/rdkit.VLib] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.rst:23: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.SimDivFilters.rst [autosectionlabel.source/rdkit.VLib] WARNING: autodoc: failed to import module 'VLib.Filter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.Node' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.NodeLib.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.rst [autosectionlabel.source/rdkit.VLib.NodeLib] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.NodeLib.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.rst [autosectionlabel.source/rdkit.VLib.NodeLib] WARNING: autodoc: failed to import module 'VLib.NodeLib.DbMolSupply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.DbPickleSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SDSupply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SmartsMolFilter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SmartsRemover' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SmilesDupeFilter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SmilesOutput' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.NodeLib.SmilesSupply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.Output' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.Supply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'VLib.Transform' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'rdBase' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'utils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.utils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.NodeLib.rst [autosectionlabel.source/rdkit.utils] /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.utils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.2/Docs/Book/source/rdkit.VLib.NodeLib.rst [autosectionlabel.source/rdkit.utils] WARNING: autodoc: failed to import module 'utils.cactvs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'utils.chemutils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'utils.fileutils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'utils.listutils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] WARNING: autodoc: failed to import module 'utils.spiral' from module 'rdkit'; the following exception was raised: No module named 'rdkit' [autodoc.import_object] looking for now-outdated files... none found pickling environment... done checking consistency... /build/reproducible-path/rdkit-202409.2/Docs/Book/data/README.md: WARNING: document isn't included in any toctree done preparing documents... done copying assets... copying TeX support files... Writing evaluated template result to /build/reproducible-path/rdkit-202409.2/Docs/Book/_build/latex/make.bat Writing evaluated template result to /build/reproducible-path/rdkit-202409.2/Docs/Book/_build/latex/latexmkrc Writing evaluated template result to /build/reproducible-path/rdkit-202409.2/Docs/Book/_build/latex/latexmkjarc Writing evaluated template result to /build/reproducible-path/rdkit-202409.2/Docs/Book/_build/latex/Makefile done copying assets: done processing RDKit.tex... index Overview Install GettingStartedInPython RDKit_Book Cookbook Cartridge BackwardsIncompatibleChanges api-docs source/rdkit source/rdkit.Avalon source/rdkit.Avalon.pyAvalonTools source/rdkit.Chem source/rdkit.Chem.AtomPairs source/rdkit.Chem.AtomPairs.Pairs source/rdkit.Chem.AtomPairs.Sheridan source/rdkit.Chem.AtomPairs.Torsions source/rdkit.Chem.AtomPairs.Utils source/rdkit.Chem.ChemUtils source/rdkit.Chem.ChemUtils.AlignDepict source/rdkit.Chem.ChemUtils.BulkTester source/rdkit.Chem.ChemUtils.DescriptorUtilities source/rdkit.Chem.ChemUtils.SDFToCSV source/rdkit.Chem.ChemUtils.TemplateExpand source/rdkit.Chem.Draw source/rdkit.Chem.Draw.IPythonConsole source/rdkit.Chem.Draw.MolDrawing source/rdkit.Chem.Draw.SimilarityMaps source/rdkit.Chem.Draw.rdMolDraw2D source/rdkit.Chem.Draw.rdMolDraw2DQt source/rdkit.Chem.EState source/rdkit.Chem.EState.AtomTypes source/rdkit.Chem.EState.EState source/rdkit.Chem.EState.EState_VSA source/rdkit.Chem.EState.Fingerprinter source/rdkit.Chem.FeatMaps source/rdkit.Chem.FeatMaps.FeatMapParser source/rdkit.Chem.FeatMaps.FeatMapPoint source/rdkit.Chem.FeatMaps.FeatMapUtils source/rdkit.Chem.FeatMaps.FeatMaps source/rdkit.Chem.Features source/rdkit.Chem.Features.FeatDirUtilsRD source/rdkit.Chem.Features.ShowFeats source/rdkit.Chem.Fingerprints source/rdkit.Chem.Fingerprints.ClusterMols source/rdkit.Chem.Fingerprints.DbFpSupplier source/rdkit.Chem.Fingerprints.FingerprintMols source/rdkit.Chem.Fingerprints.MolSimilarity source/rdkit.Chem.Fingerprints.SimilarityScreener source/rdkit.Chem.Fraggle source/rdkit.Chem.Fraggle.FraggleSim source/rdkit.Chem.MolDb source/rdkit.Chem.MolDb.FingerprintUtils source/rdkit.Chem.MolDb.Loader source/rdkit.Chem.MolDb.Loader_orig source/rdkit.Chem.MolDb.Loader_sa source/rdkit.Chem.MolKey source/rdkit.Chem.MolKey.InchiInfo source/rdkit.Chem.MolKey.MolKey source/rdkit.Chem.Pharm2D source/rdkit.Chem.Pharm2D.Generate source/rdkit.Chem.Pharm2D.Gobbi_Pharm2D source/rdkit.Chem.Pharm2D.Matcher source/rdkit.Chem.Pharm2D.SigFactory source/rdkit.Chem.Pharm2D.Utils source/rdkit.Chem.Pharm3D source/rdkit.Chem.Pharm3D.EmbedLib source/rdkit.Chem.Pharm3D.ExcludedVolume source/rdkit.Chem.Pharm3D.Pharmacophore source/rdkit.Chem.Scaffolds source/rdkit.Chem.Scaffolds.MurckoScaffold source/rdkit.Chem.Scaffolds.rdScaffoldNetwork source/rdkit.Chem.SimpleEnum source/rdkit.Chem.SimpleEnum.Enumerator source/rdkit.Chem.Subshape source/rdkit.Chem.Subshape.BuilderUtils source/rdkit.Chem.Subshape.SubshapeAligner source/rdkit.Chem.Subshape.SubshapeBuilder source/rdkit.Chem.Subshape.SubshapeObjects source/rdkit.Chem.Suppliers source/rdkit.Chem.Suppliers.DbMolSupplier source/rdkit.Chem.Suppliers.MolSupplier source/rdkit.Chem.fmcs source/rdkit.Chem.fmcs.fmcs source/rdkit.Chem.AllChem source/rdkit.Chem.BRICS source/rdkit.Chem.BuildFragmentCatalog source/rdkit.Chem.ChemicalFeatures source/rdkit.Chem.ChemicalForceFields source/rdkit.Chem.Crippen source/rdkit.Chem.Descriptors source/rdkit.Chem.Descriptors3D source/rdkit.Chem.EnumerateHeterocycles source/rdkit.Chem.EnumerateStereoisomers source/rdkit.Chem.FastSDMolSupplier source/rdkit.Chem.FeatFinderCLI source/rdkit.Chem.FilterCatalog source/rdkit.Chem.FragmentCatalog source/rdkit.Chem.FragmentMatcher source/rdkit.Chem.Fragments source/rdkit.Chem.FunctionalGroups source/rdkit.Chem.GraphDescriptors source/rdkit.Chem.Graphs source/rdkit.Chem.Lipinski source/rdkit.Chem.MACCSkeys source/rdkit.Chem.MolCatalog source/rdkit.Chem.MolStandardize source/rdkit.Chem.MolStandardize.rdMolStandardize source/rdkit.Chem.MolSurf source/rdkit.Chem.PandasTools source/rdkit.Chem.PeriodicTable source/rdkit.Chem.PropertyMol source/rdkit.Chem.PyMol source/rdkit.Chem.QED source/rdkit.Chem.Randomize source/rdkit.Chem.Recap source/rdkit.Chem.ReducedGraphs source/rdkit.Chem.RegistrationHash source/rdkit.Chem.SATIS source/rdkit.Chem.SaltRemover source/rdkit.Chem.ShowMols source/rdkit.Chem.SpacialScore source/rdkit.Chem.TemplateAlign source/rdkit.Chem.TorsionFingerprints source/rdkit.Chem.inchi source/rdkit.Chem.rdchem source/rdkit.Chem.rdDistGeom source/rdkit.Chem.rdqueries source/rdkit.Chem.rdFMCS source/rdkit.Chem.rdMolAlign source/rdkit.Chem.rdMolHash source/rdkit.Chem.rdReducedGraphs source/rdkit.Chem.rdtrajectory source/rdkit.Chem.rdMolTransforms source/rdkit.Chem.rdmolfiles source/rdkit.Chem.rdPartialCharges source/rdkit.Chem.rdMolCatalog source/rdkit.Chem.rdCoordGen source/rdkit.Chem.rdMolChemicalFeatures source/rdkit.Chem.rdMMPA source/rdkit.Chem.rdRGroupDecomposition source/rdkit.Chem.rdForceFieldHelpers source/rdkit.Chem.rdDepictor source/rdkit.Chem.rdChemicalFeatures source/rdkit.Chem.rdmolops source/rdkit.Chem.rdFreeSASA source/rdkit.Chem.rdMolInterchange source/rdkit.Chem.rdShapeHelpers source/rdkit.Chem.rdinchi source/rdkit.Chem.rdChemReactions source/rdkit.Chem.rdSubstructLibrary source/rdkit.Chem.rdfiltercatalog source/rdkit.Chem.rdfragcatalog source/rdkit.Chem.rdMolDescriptors source/rdkit.Chem.rdFingerprintGenerator source/rdkit.Chem.rdMHFPFingerprint source/rdkit.Chem.rdSLNParse source/rdkit.Chem.rdAbbreviations source/rdkit.Chem.rdDeprotect source/rdkit.Chem.rdMolEnumerator source/rdkit.Chem.rdCIPLabeler source/rdkit.Chem.rdTautomerQuery source/rdkit.Chem.rdEHTTools source/rdkit.Chem.rdDetermineBonds source/rdkit.Chem.rdShapeAlign source/rdkit.DataManip source/rdkit.DataManip.Metric source/rdkit.DataManip.Metric.rdMetricMatrixCalc source/rdkit.DataStructs source/rdkit.DataStructs.BitEnsemble source/rdkit.DataStructs.BitEnsembleDb source/rdkit.DataStructs.BitUtils source/rdkit.DataStructs.LazySignature source/rdkit.DataStructs.TopNContainer source/rdkit.DataStructs.VectCollection source/rdkit.DataStructs.cDataStructs source/rdkit.Dbase source/rdkit.Dbase.DbConnection source/rdkit.Dbase.DbInfo source/rdkit.Dbase.DbModule source/rdkit.Dbase.DbResultSet source/rdkit.Dbase.DbUtils source/rdkit.Dbase.StorageUtils source/rdkit.DistanceGeometry source/rdkit.DistanceGeometry.DistGeom source/rdkit.ForceField source/rdkit.ForceField.rdForceField source/rdkit.Geometry source/rdkit.Geometry.rdGeometry source/rdkit.ML source/rdkit.ML.Cluster source/rdkit.ML.Cluster.Butina source/rdkit.ML.Cluster.ClusterUtils source/rdkit.ML.Cluster.ClusterVis source/rdkit.ML.Cluster.Clusters source/rdkit.ML.Cluster.Murtagh source/rdkit.ML.Cluster.Resemblance source/rdkit.ML.Cluster.Standardize source/rdkit.ML.Cluster.Clustering source/rdkit.ML.Data source/rdkit.ML.Data.DataUtils source/rdkit.ML.Data.FindQuantBounds source/rdkit.ML.Data.MLData source/rdkit.ML.Data.Quantize source/rdkit.ML.Data.cQuantize source/rdkit.ML.Data.SplitData source/rdkit.ML.Data.Stats source/rdkit.ML.Data.Transforms source/rdkit.ML.Descriptors source/rdkit.ML.Descriptors.CompoundDescriptors source/rdkit.ML.Descriptors.Descriptors source/rdkit.ML.Descriptors.MoleculeDescriptors source/rdkit.ML.Descriptors.Parser source/rdkit.ML.InfoTheory source/rdkit.ML.InfoTheory.BitClusterer source/rdkit.ML.InfoTheory.BitRank source/rdkit.ML.InfoTheory.entropy source/rdkit.ML.InfoTheory.rdInfoTheory source/rdkit.ML.MLUtils source/rdkit.ML.MLUtils.VoteImg source/rdkit.ML.SLT source/rdkit.ML.SLT.Risk source/rdkit.ML.Scoring source/rdkit.ML.Scoring.Scoring source/rdkit.ML.MatOps source/rdkit.ML.files source/rdkit.Numerics source/rdkit.Numerics.rdAlignment source/rdkit.SimDivFilters source/rdkit.SimDivFilters.SimilarityPickers source/rdkit.SimDivFilters.rdSimDivPickers source/rdkit.VLib source/rdkit.VLib.NodeLib source/rdkit.VLib.NodeLib.DbMolSupply source/rdkit.VLib.NodeLib.DbPickleSupplier source/rdkit.VLib.NodeLib.SDSupply source/rdkit.VLib.NodeLib.SmartsMolFilter source/rdkit.VLib.NodeLib.SmartsRemover source/rdkit.VLib.NodeLib.SmilesDupeFilter source/rdkit.VLib.NodeLib.SmilesOutput source/rdkit.VLib.NodeLib.SmilesSupply source/rdkit.VLib.Filter source/rdkit.VLib.Node source/rdkit.VLib.Output source/rdkit.VLib.Supply source/rdkit.VLib.Transform source/rdkit.utils source/rdkit.utils.cactvs source/rdkit.utils.chemutils source/rdkit.utils.fileutils source/rdkit.utils.listutils source/rdkit.utils.spiral source/rdkit.rdBase source/rdkit.RDConfig source/rdkit.RDLogger source/rdkit.RDPaths source/rdkit.RDRandom source/rdkit.TestRunner GettingStartedInC++ resolving references... WARNING: Could not fetch remote image: https://img.shields.io/badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC [HTTPSConnectionPool(host='img.shields.io', port=443): Max retries exceeded with url: /badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC (Caused by NameResolutionError(": Failed to resolve 'img.shields.io' ([Errno -3] Temporary failure in name resolution)"))] processing RDKit.tex: done writing... done copying images... 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[1] [2] Chapter 1. (/usr/share/texmf/tex/latex/tex-gyre/ts1qtm.fd) Underfull \hbox (badness 10000) in paragraph at lines 131--133 []\T1/qtm/m/n/10 Chem-in-for-mat-ics nodes for KN-IME (dis-tributed from the KN -IME com-mu-nity site: [1{/usr/share/texmf/fonts/enc/dvips/tex-gyre/q-ts1.enc}] (/usr/share/texlive/texmf-dist/tex/latex/txfonts/t1txtt.fd) [2] [3] [4] Chapter 2. [5] (/usr/share/texlive/texmf-dist/tex/latex/txfonts/ts1txtt.fd) [6] [7] [8] Underfull \hbox (badness 10000) in paragraph at lines 774--776 []\T1/qtm/m/n/10 If you want to use the python wrap-pers: \T1/txtt/m/n/10 ./boo tstrap.sh [][]with[]libraries=python, [9] [10] Underfull \hbox (badness 10000) in paragraph at lines 941--943 []\T1/qtm/m/n/10 You can en-able sup-port for gen-er-at-ing InChI strings and I nChI keys by adding the ar-gu-ment [11] [12] Underfull \hbox (badness 5490) in paragraph at lines 1166--1168 \T1/qtm/m/n/10 This sec-tion as-sumes that python is in-stalled in \T1/txtt/m/n /10 C:[]Python36 that the boost libraries have been [13] Underfull \hbox (badness 10000) in paragraph at lines 1217--1220 []\T1/txtt/m/n/10 DBOOST_ROOT=C:/boost []DRDK_BUILD_INCHI_SUPPORT=ON []DRDK_BUI LD_AVALON_SUPPORT=ON Underfull \hbox (badness 10000) in paragraph at lines 1217--1220 []\T1/txtt/m/n/10 DRDK_BUILD_PGSQL=ON []DPostgreSQL_ROOT="C:[]Program Files[]Po stgreSQL[]9.5" []G"Visual Underfull \hbox (badness 10000) in paragraph at lines 1231--1233 []\T1/txtt/m/n/10 "C:[]Program Files[]PostgreSQL[]9.5[]bin[]pg_ctl.exe" []N "po stgresql[]9.5" []D "C:[] Underfull \hbox (badness 10000) in paragraph at lines 1239--1241 []\T1/txtt/m/n/10 "C:[]Program Files[]PostgreSQL[]9.5[]bin[]pg_ctl.exe" []N "po stgresql[]9.5" []D "C:[] [14] Chapter 3. [15] [16 <./Cc1ccccc1.png>] [17] [18] LaTeX Warning: Hyper reference `GettingStartedInPython:chem-vs-allchem' on page 19 undefined on input line 1584. [19] [20] [21] [22] LaTeX Warning: Hyper reference `GettingStartedInPython:the-sssr-problem' on pag e 23 undefined on input line 1824. [23] [24] Underfull \hbox (badness 10000) in paragraph at lines 1974--1977 []\T1/qtm/m/n/10 An-other op-tion for Com-pute2DCoords al-lows you to gen-er-at e 2D de-pic-tions for molecules that Underfull \hbox (badness 10000) in paragraph at lines 1974--1977 \T1/qtm/m/n/10 closely mimic 3D con-form-ers. This is avail-able us-ing the fun c-tion \T1/txtt/m/n/10 rdkit.Chem.AllChem. Underfull \hbox (badness 10000) in paragraph at lines 1999--2005 []\T1/qtm/m/n/10 More fine-grained con-trol can be ob-tained us-ing the core fu nc-tion \T1/txtt/m/n/10 rdkit.Chem.rdDepictor. 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[40] [41] [42 <./mcs_example_1.png> <./mcs_example_2.png>] [43 <./mcs_example_3.png> <./mcs_example_4.png>] [44 <./mcs_example_5.png> <./mcs_example_6.png>] [45] [46] [47] [48] [49] [50] LaTeX Warning: Hyper reference `GettingStartedInPython:feature-definitions-used -in-the-morgan-fingerprints' on page 51 undefined on input line 3496. [51] [52] [53] [54] [55 <./mfp2_bit872.png> <./rdk_bit1553.png>] [56 <./rdk_bit1553_2.png>] [57] [58 <./similarity_map_fp1.png>] [59 <./similarity_map_fp2.png>] LaTeX Warning: Hyper reference `GettingStartedInPython:list-of-available-descri ptors' on page 60 undefined on input line 4004. Overfull \vbox (1.67828pt too high) detected at line 4017 [60 <./similarity_map_fp3.png>] [61] [62 <./similarity_map_charges.png>] LaTeX Warning: Hyper reference `RDKit_Book::doc' on page 63 undefined on input line 4113. 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Overfull \hbox (7.40584pt too wide) in paragraph at lines 6055--6055 []\T1/qtm/m/n/10 Acidic| [82] [83] [84 <./picture_5.png (PNG copy)>] [85] [86] Chapter 4. [87 <./picture_9.png (PNG copy)>] [88 <./picture_8.png> <./picture_7.png (PNG copy)>] [89 <./picture_10.png> <./picture_12.png>] [90 <./picture_11.png>] [91] [92] [93] [94] [95] [96] LaTeX Warning: Hyper reference `RDKit_Book:non-tetrahedral-stereo' on page 97 u ndefined on input line 7455. [97] [98 <./parastereo_2.png> <./parastereo_1.png> <./potential_stereo_double_bond1. png> <./potential_stereo_double_bond2.png>] [99 <./potential_stereo_double_bond3.png>] [100] [101 <./nontetstereo_sp1.png> <./nontetstereo_sp2.png> <./nontetstereo_sp3.png> <./nontetstereo_sp4.png>] [102 <./nontetstereo_tb2.png> <./nontetstereo_tb1.png>] Package longtable Warning: Column widths have changed (longtable) in table 1 on input line 9430. [103 <./nontetstereo_oh2.png> <./nontetstereo_oh1.png>] Underfull \hbox (badness 10000) in paragraph at lines 9443--9445 []\T1/qtm/m/n/10 The clas-sic ex-am-ple of this is cis-platin - \T1/txtt/m/n/10 Cl[Pt@SP1](Cl)(<[][NH3])<[][NH3] \T1/qtm/m/n/10 - vs trans-platin - [104 <./nontetstereo_ex1.png> <./nontetstereo_ex2.png> <./nontetstereo_missing1 .png>] [105] [106] [107] [108] [109] [110] LaTeX Warning: Hyper reference `RDKit_Book:ph4-figure' on page 111 undefined on input line 10000. [111] [112 <./picture_10.jpg>] Overfull \vbox (2.86082pt too high) detected at line 10266 [113] Package longtable Warning: Column widths have changed (longtable) in table 3 on input line 10579. [114 <./ary_group.png>] [115] [116] Underfull \hbox (badness 10000) in paragraph at lines 10901--10903 \T1/qtm/m/n/10 Here's the rd-kitj-son rep-re-sen-ta-tion of the stereo groups f rom the molecule [117] Underfull \hbox (badness 10000) in paragraph at lines 11139--11139 []\T1/qtm/m/n/10 _Chi-ral-i-ty-Pos-si- Underfull \hbox (badness 10000) in paragraph at lines 11139--11139 []\T1/qtm/m/n/10 _Re-ac-tion-De- Underfull \hbox (badness 10000) in paragraph at lines 11139--11139 []\T1/qtm/m/n/10 mo-lAtomMap- Underfull \hbox (badness 10000) in paragraph at lines 11139--11139 []\T1/qtm/m/n/10 molFileIn-ver- Underfull \hbox (badness 10000) in paragraph at lines 11139--11139 []\T1/qtm/m/n/10 mol-Rxn-Com-po- [118] [119] Underfull \hbox (badness 10000) in paragraph at lines 11301--11306 []\T1/qtm/m/n/10 By de-fault the \T1/txtt/m/n/10 rdkit.Chem.rdmolfiles.SDMolSup plier \T1/qtm/m/n/10 and \T1/txtt/m/n/10 rdkit.Chem.rdmolfiles. [120] Underfull \hbox (badness 10000) in paragraph at lines 11350--11353 []\T1/qtm/m/n/10 This be-hav-ior is en-abled by de-fault and can be turned on/o ff with the \T1/txtt/m/n/10 rdkit.Chem.rdmolfiles. Underfull \hbox (badness 10000) in paragraph at lines 11354--11358 \T1/qtm/m/n/10 tions \T1/txtt/m/n/10 rdkit.Chem.rdmolfiles.CreateAtomStringProp ertyList()\T1/qtm/m/n/10 , \T1/txtt/m/n/10 rdkit.Chem.rdmolfiles. [121] Underfull \hbox (badness 10000) in paragraph at lines 11498--11498 []\T1/qhv/m/n/10 Mix- Underfull \hbox (badness 10000) in paragraph at lines 11498--11498 []\T1/qtm/m/n/10 mix- Underfull \hbox (badness 10000) in paragraph at lines 11498--11498 []\T1/qtm/m/n/10 mix- Underfull \hbox (badness 10000) in paragraph at lines 11498--11498 []\T1/qtm/m/n/10 mix- Underfull \hbox (badness 10000) in paragraph at lines 11498--11498 []\T1/qtm/m/n/10 mix- [122] [123 <./enhanced_stereo_and1_and2_base.png> <./enhanced_stereo_and1_and2_expand .png> <./enhanced_stereo_and1_cis_base.png> <./enhanced_stereo_and1_cis_expand. png> <./enhanced_stereo_and1_trans_base.png> <./enhanced_stereo_and1_trans_expa nd.png> <./enhanced_stereo_or1_or2_base.png> <./enhanced_stereo_or1_cis_base.pn g> <./enhanced_stereo_or1_trans_base.png> <./enhanced_stereo_abs_and_base.png> <./enhanced_stereo_abs_and_expand.png> <./enhanced_stereo_abs_or_base.png>] Underfull \hbox (badness 10000) in paragraph at lines 11515--11520 []\T1/qtm/m/n/10 It is pos-si-ble to enu-mer-ate the el-e-ments of a \T1/txtt/m /n/10 StereoGroup \T1/qtm/m/n/10 us-ing the func-tion \T1/txtt/m/n/10 rdkit.Che m. [124] [125 <./EnhancedStereoSSS_molA.png> <./EnhancedStereoSSS_molB.png> <./EnhancedS tereoSSS_molC.png> <./EnhancedStereoSSS_molD.png> <./EnhancedStereoSSS_molE.png > <./EnhancedStereoSSS_molF.png> <./EnhancedStereoSSS_molG.png>] [126] [127 <./atrop_example1.png> <./atrop_example2.png> <./atrop_example3.png>] [128 <./atrop_representation1.png>] [129 <./atrop_example4.png>] [130 <./atrop_example5.png> <./atrop_representation2.png>] [131 <./query_bonds.png>] [132 <./query_bonds.2.png> <./query_atoms.png>] [133] [134] Underfull \hbox (badness 10000) in paragraph at lines 12608--12618 []\T1/txtt/m/n/10 allowNontetrahedralChirality\T1/qtm/m/n/10 : when this is \T1 /txtt/m/n/10 true \T1/qtm/m/n/10 non-tetrahedral chi-ral-ity will be per- Underfull \hbox (badness 10000) in paragraph at lines 12608--12618 \T1/qtm/m/n/10 ceived from 3D co-or-di-nates. The de-fault value is \T1/txtt/m/ n/10 true \T1/qtm/m/n/10 un-less the en-vi-ron-ment vari- Underfull \hbox (badness 10000) in paragraph at lines 12608--12618 \T1/qtm/m/n/10 able \T1/txtt/m/n/10 RDK_ENABLE_NONTETRAHEDRAL_STEREO \T1/qtm/m/ n/10 is set to \T1/txtt/m/n/10 "0"\T1/qtm/m/n/10 . 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The de-fault value is \T1/txtt/m/n/10 true \T1/qtm/m/n/10 un-less the en-vi-ron- Underfull \hbox (badness 10000) in paragraph at lines 12620--12630 \T1/qtm/m/n/10 ment vari-able \T1/txtt/m/n/10 RDK_USE_LEGACY_STEREO_PERCEPTION \T1/qtm/m/n/10 is set to \T1/txtt/m/n/10 "0"\T1/qtm/m/n/10 . Can set/checked Underfull \hbox (badness 10000) in paragraph at lines 12620--12630 \T1/qtm/m/n/10 from C++ us-ing the func-tions \T1/txtt/m/n/10 RDKit::Chirality: :setUseLegacyStereoPerception() \T1/qtm/m/n/10 / [135] [136] Chapter 5. [137] [138 <./RDKitCB_0_im0.png> <./RDKitCB_0_im1.png>] [139 <./RDKitCB_0_im2.png> <./RDKitCB_40_im0.png>] [140 <./RDKitCB_40_im1.png> <./RDKitCB_23_im0.png>] [141 <./RDKitCB_23_im1.png> <./RDKitCB_32_im0.png>] [142 <./RDKitCB_32_im1.png> <./RDKitCB_1_im0.png (PNG copy)>] [143 <./RDKitCB_1_im1.png (PNG copy)> <./RDKitCB_1_im2.png (PNG copy)>] [144 <./RDKitCB_1_im3.png (PNG copy)> <./RDKitCB_2_im0.png>] [145 <./RDKitCB_2_im1.png> <./RDKitCB_36_im0.png>] [146 <./RDKitCB_36_im1.png>] [147 <./RDKitCB_38_im0.png>] [148 <./RDKitCB_39_im0.png (PNG copy)>] [149 <./RDKitCB_17_im0.png> <./RDKitCB_17_im1.png>] [150 <./RDKitCB_34_im0.png> <./RDKitCB_34_im1.png> <./RDKitCB_34_im2.png>] [151] Overfull \hbox (396.49246pt too wide) in paragraph at lines 13270--13270 []\T1/txtt/m/n/10 CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C )C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C( =O)N(C)C(C(C)C)C(=O)N1C[][] [152 <./RDKitCB_37_im0.png>] Overfull \hbox (396.49246pt too wide) in paragraph at lines 13299--13299 []\T1/txtt/m/n/10 CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C )C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C( =O)N(C)C(C(C)C)C(=O)N1C[][] [153 <./RDKitCB_37_im1.png>] [154 <./RDKitCB_37_im2.png>] [155 <./RDKitCB_35_im0.png>] [156] [157 <./RDKitCB_3_im0.png> <./RDKitCB_8_im0.png>] [158] [159 <./RDKitCB_30_im0.png>] [160 <./RDKitCB_30_im1.png>] [161 <./RDKitCB_7_im0.png> <./RDKitCB_7_im1.png>] [162 <./RDKitCB_7_im2.png (PNG copy)> <./RDKitCB_7_im3.png> <./RDKitCB_7_im4.pn g>] [163 <./RDKitCB_7_im5.png> <./RDKitCB_7_im6.png (PNG copy)>] [164] [165] [166 <./RDKitCB_29_im0.png (PNG copy)>] Underfull \vbox (badness 1043) detected at line 13953 [167 <./RDKitCB_33_im0.png (PNG copy)>] Overfull \vbox (0.99814pt too high) detected at line 13988 [168 <./RDKitCB_33_im1.png (PNG copy)>] [169 <./RDKitCB_33_im2.png (PNG copy)>] Overfull \hbox (490.99219pt too wide) in paragraph at lines 14054--14054 []\T1/txtt/m/n/10 "[][]CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C @H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@ @H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O[][] [170 <./RDKitCB_13_im0.png>] [171 <./RDKitCB_13_im1.png>] [172] [173 <./RDKitCB_20_im0.png>] [174 <./RDKitCB_21_im0.png>] [175 <./RDKitCB_21_im1.png>] [176 <./RDKitCB_21_im2.png (PNG copy)> <./RDKitCB_21_im3.png>] [177 <./RDKitCB_21_im4.png>] [178 <./RDKitCB_21_im5.png (PNG copy)>] [179 <./RDKitCB_22_im0.png>] [180 <./RDKitCB_22_im1.png>] [181 <./RDKitCB_6_im0.png (PNG copy)>] [182 <./RDKitCB_6_im1.png (PNG copy)> <./RDKitCB_6_im2.png (PNG copy)>] [183] [184] [185] [186] [187 <./RDKitCB_19_im0.png>] [188] [189] [190 <./RDKitCB_28_im0.png (PNG copy)> <./RDKitCB_28_im1.png (PNG copy)>] [191] [192] Chapter 6. [193] [194] [195] [196] Overfull \hbox (1052.74055pt too wide) in paragraph at lines 15554--15554 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H ]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2C SSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN C(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2| Overfull \hbox (149.74318pt too wide) in paragraph at lines 15556--15556 []\T1/txtt/m/n/10 CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@ H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]1CC(=O)O| Overfull \hbox (97.24333pt too wide) in paragraph at lines 15557--15557 []\T1/txtt/m/n/10 NCCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)Cc1ccccc1) C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O| Overfull \hbox (643.24174pt too wide) in paragraph at lines 15558--15558 []\T1/txtt/m/n/10 CCCCCCCCCCCCCCCCNC(=O)CN(CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1 )C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[ C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(=O)c1cccnc1| Overfull \hbox (464.74226pt too wide) in paragraph at lines 15559--15559 []\T1/txtt/m/n/10 CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=O)NC(C)(C)C(=O)NC( Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O) NC(CCCNC(=N)N)C(=O)NC(CC(N)=O)C(N)=O| Overfull \hbox (359.74257pt too wide) in paragraph at lines 15560--15560 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CCSC)NC1=O| Overfull \hbox (370.24254pt too wide) in paragraph at lines 15561--15561 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CC[S+](C)[O- Overfull \hbox (422.74239pt too wide) in paragraph at lines 15562--15562 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc 2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CC( C)C)NC(=O)[C@H](CC[S+](C)[O- Overfull \hbox (249.49289pt too wide) in paragraph at lines 15563--15563 []\T1/txtt/m/n/10 ])NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H] (Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC[S+](C)[O- Overfull \vbox (2.3893pt too high) detected at line 15565 [197] Overfull \hbox (1052.74055pt too wide) in paragraph at lines 15577--15577 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H ]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2C SSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN C(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2| Overfull \hbox (149.74318pt too wide) in paragraph at lines 15579--15579 []\T1/txtt/m/n/10 CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@ H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]1CC(=O)O| Overfull \hbox (97.24333pt too wide) in paragraph at lines 15580--15580 []\T1/txtt/m/n/10 NCCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)Cc1ccccc1) C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O| Overfull \hbox (643.24174pt too wide) in paragraph at lines 15581--15581 []\T1/txtt/m/n/10 CCCCCCCCCCCCCCCCNC(=O)CN(CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1 )C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[ C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(=O)c1cccnc1| Overfull \hbox (359.74257pt too wide) in paragraph at lines 15582--15582 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CCSC)NC1=O| Overfull \hbox (370.24254pt too wide) in paragraph at lines 15583--15583 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CC[S+](C)[O- Overfull \hbox (422.74239pt too wide) in paragraph at lines 15584--15584 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc 2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CC( C)C)NC(=O)[C@H](CC[S+](C)[O- Overfull \hbox (249.49289pt too wide) in paragraph at lines 15585--15585 []\T1/txtt/m/n/10 ])NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H] (Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC[S+](C)[O- Overfull \hbox (522.4921pt too wide) in paragraph at lines 15586--15586 []\T1/txtt/m/n/10 CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H] (C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CC(C )C)C(=O)O)Cc1ccccc1)Cc1ccccc1)C(C)C)[C@@H](C)CC| [198] [199] [200] [201] [202] [203] [204] [205] [206] [207] [208] [209] [210] [211] [212] Chapter 7. [213] [214] [215] Underfull \hbox (badness 10000) in paragraph at lines 16807--16811 \T1/qtm/m/n/10 Un-charger::uncharge() will now neu-tral-ize \T1/txtt/m/n/10 [Cl ,Br,I][O[]], [Cl,Br,I](=O)[O[]], [Cl, Underfull \hbox (badness 10000) in paragraph at lines 16807--16811 \T1/txtt/m/n/10 Br,I](=O)(=O)[O[]], [Cl,Br,I](=O)(=O)(=O)[O[]], [O[]]N=N[O[]], [N,P](=O)[O[]], Underfull \hbox (badness 10000) in paragraph at lines 16807--16811 \T1/txtt/m/n/10 [N+](=O)([O[]])[O[]], P(=O)([O[]])[O[]], P(=O)([O[]])([O[]])[O[ ]], S([O[]])[O[]], S(=O)([O[]])[O[]], [216] [217] [218] Chapter 8. [219] [220] [221] [222] [223] [224] [225] [226] [227] [228] [229] [230] Chapter 9. [231] [232] [233] Underfull \hbox (badness 10000) in paragraph at lines 18704--18708 \T1/qtm/m/n/10 Groups of molecules are read us-ing a Sup-plier (for ex-am-ple, an \T1/txtt/m/n/10 RDKit::SDMolSupplier \T1/qtm/m/n/10 or an [234] [235] [236] [237] [238] Overfull \vbox (0.8796pt too high) detected at line 19141 [239] [240] Underfull \hbox (badness 6691) in paragraph at lines 19244--19246 []\T1/qtm/m/n/10 The \T1/txtt/m/n/10 auto\TS1/txtt/m/n/10 ' \T1/txtt/m/n/10 key word here is hiding the fact that \T1/qtm/m/n/10 get-Bond-Be-tweenAtoms\T1/txtt /m/n/10 returns the index of the [241] [242] LaTeX Warning: Hyper reference `GettingStartedInC++:the-sssr-problem' on page 2 43 undefined on input line 19372. LaTeX Warning: Hyper reference `GettingStartedInC++:two-add-hs' on page 243 und efined on input line 19402. [243] [244] [245] [246] [247] [248] [249] [250] [251] [252] Overfull \vbox (1.8739pt too high) detected at line 20261 [253] [254] [255] [256] Chapter 10. [257] [258] Chapter 11. No file RDKit.ind. Package longtable Warning: Table widths have changed. Rerun LaTeX. [259] (./RDKit.aux) LaTeX Warning: There were undefined references. LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. Package rerunfilecheck Warning: File `RDKit.out' has changed. (rerunfilecheck) Rerun to get outlines right (rerunfilecheck) or use package `bookmark'. ) (see the transcript file for additional information) Output written on RDKit.pdf (263 pages, 2863468 bytes). Transcript written on RDKit.log. Latexmk: Missing input file 'RDKit.toc' (or dependence on it) from following: No file RDKit.toc. Latexmk: Missing input file 'RDKit.ind' (or dependence on it) from following: No file RDKit.ind. Latexmk: Getting log file 'RDKit.log' Latexmk: Examining 'RDKit.fls' Latexmk: Examining 'RDKit.log' Latexmk: Index file 'RDKit.idx' was written Latexmk: References changed. Latexmk: References changed. 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(/usr/share/texmf/tex/latex/tex-gyre/ts1qtm.fd) Underfull \hbox (badness 10000) in paragraph at lines 131--133 []\T1/qtm/m/n/10 Chem-in-for-mat-ics nodes for KN-IME (dis-tributed from the KN -IME com-mu-nity site: [1{/usr/share/texmf/fonts/enc/dvips/tex-gyre/q-ts1.enc}] [2] [3] [4] Chapter 2. [5] (/usr/share/texlive/texmf-dist/tex/latex/txfonts/ts1txtt.fd) [6] [7] [8] Underfull \hbox (badness 10000) in paragraph at lines 774--776 []\T1/qtm/m/n/10 If you want to use the python wrap-pers: \T1/txtt/m/n/10 ./boo tstrap.sh [][]with[]libraries=python, [9] [10] Underfull \hbox (badness 10000) in paragraph at lines 941--943 []\T1/qtm/m/n/10 You can en-able sup-port for gen-er-at-ing InChI strings and I nChI keys by adding the ar-gu-ment [11] [12] Underfull \hbox (badness 5490) in paragraph at lines 1166--1168 \T1/qtm/m/n/10 This sec-tion as-sumes that python is in-stalled in \T1/txtt/m/n /10 C:[]Python36 that the boost libraries have been [13] Underfull \hbox (badness 10000) in paragraph at lines 1217--1220 []\T1/txtt/m/n/10 DBOOST_ROOT=C:/boost []DRDK_BUILD_INCHI_SUPPORT=ON []DRDK_BUI LD_AVALON_SUPPORT=ON Underfull \hbox (badness 10000) in paragraph at lines 1217--1220 []\T1/txtt/m/n/10 DRDK_BUILD_PGSQL=ON []DPostgreSQL_ROOT="C:[]Program Files[]Po stgreSQL[]9.5" []G"Visual Underfull \hbox (badness 10000) in paragraph at lines 1231--1233 []\T1/txtt/m/n/10 "C:[]Program Files[]PostgreSQL[]9.5[]bin[]pg_ctl.exe" []N "po stgresql[]9.5" []D "C:[] Underfull \hbox (badness 10000) in paragraph at lines 1239--1241 []\T1/txtt/m/n/10 "C:[]Program Files[]PostgreSQL[]9.5[]bin[]pg_ctl.exe" []N "po stgresql[]9.5" []D "C:[] [14] Chapter 3. [15] [16 <./Cc1ccccc1.png>] [17] [18] [19] [20] [21] [22] [23] [24] Underfull \hbox (badness 10000) in paragraph at lines 1974--1977 []\T1/qtm/m/n/10 An-other op-tion for Com-pute2DCoords al-lows you to gen-er-at e 2D de-pic-tions for molecules that Underfull \hbox (badness 10000) in paragraph at lines 1974--1977 \T1/qtm/m/n/10 closely mimic 3D con-form-ers. This is avail-able us-ing the fun c-tion \T1/txtt/m/n/10 rdkit.Chem.AllChem. Underfull \hbox (badness 10000) in paragraph at lines 1999--2005 []\T1/qtm/m/n/10 More fine-grained con-trol can be ob-tained us-ing the core fu nc-tion \T1/txtt/m/n/10 rdkit.Chem.rdDepictor. 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The de-fault value is \T1/txtt/m/ n/10 true \T1/qtm/m/n/10 un-less the en-vi-ron-ment vari- Underfull \hbox (badness 10000) in paragraph at lines 12608--12618 \T1/qtm/m/n/10 able \T1/txtt/m/n/10 RDK_ENABLE_NONTETRAHEDRAL_STEREO \T1/qtm/m/ n/10 is set to \T1/txtt/m/n/10 "0"\T1/qtm/m/n/10 . Can set/checked from Underfull \hbox (badness 10000) in paragraph at lines 12608--12618 \T1/qtm/m/n/10 C++ us-ing the func-tions \T1/txtt/m/n/10 RDKit::Chirality::setA llowNontetrahedralChirality() \T1/qtm/m/n/10 / Underfull \hbox (badness 10000) in paragraph at lines 12608--12618 \T1/txtt/m/n/10 RDKit::Chirality::getAllowNontetrahedralChirality() \T1/qtm/m/n /10 or from Python us-ing the func-tions Underfull \hbox (badness 10000) in paragraph at lines 12620--12630 []\T1/txtt/m/n/10 useLegacyStereoPerception\T1/qtm/m/n/10 : when this is \T1/tx tt/m/n/10 true \T1/qtm/m/n/10 the legacy im-ple-men-ta-tion for per- Underfull \hbox (badness 10000) in paragraph at lines 12620--12630 \T1/qtm/m/n/10 ceiv-ing stere-o-chem-istry will be used. The de-fault value is \T1/txtt/m/n/10 true \T1/qtm/m/n/10 un-less the en-vi-ron- Underfull \hbox (badness 10000) in paragraph at lines 12620--12630 \T1/qtm/m/n/10 ment vari-able \T1/txtt/m/n/10 RDK_USE_LEGACY_STEREO_PERCEPTION \T1/qtm/m/n/10 is set to \T1/txtt/m/n/10 "0"\T1/qtm/m/n/10 . Can set/checked Underfull \hbox (badness 10000) in paragraph at lines 12620--12630 \T1/qtm/m/n/10 from C++ us-ing the func-tions \T1/txtt/m/n/10 RDKit::Chirality: :setUseLegacyStereoPerception() \T1/qtm/m/n/10 / [135] [136] Chapter 5. [137] [138 <./RDKitCB_0_im0.png> <./RDKitCB_0_im1.png>] [139 <./RDKitCB_0_im2.png> <./RDKitCB_40_im0.png>] [140 <./RDKitCB_40_im1.png> <./RDKitCB_23_im0.png>] [141 <./RDKitCB_23_im1.png> <./RDKitCB_32_im0.png>] [142 <./RDKitCB_32_im1.png> <./RDKitCB_1_im0.png (PNG copy)>] [143 <./RDKitCB_1_im1.png (PNG copy)> <./RDKitCB_1_im2.png (PNG copy)>] [144 <./RDKitCB_1_im3.png (PNG copy)> <./RDKitCB_2_im0.png>] [145 <./RDKitCB_2_im1.png> <./RDKitCB_36_im0.png>] [146 <./RDKitCB_36_im1.png>] [147 <./RDKitCB_38_im0.png>] [148 <./RDKitCB_39_im0.png (PNG copy)>] [149 <./RDKitCB_17_im0.png> <./RDKitCB_17_im1.png>] [150 <./RDKitCB_34_im0.png> <./RDKitCB_34_im1.png> <./RDKitCB_34_im2.png>] [151] Overfull \hbox (396.49246pt too wide) in paragraph at lines 13270--13270 []\T1/txtt/m/n/10 CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C )C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C( =O)N(C)C(C(C)C)C(=O)N1C[][] [152 <./RDKitCB_37_im0.png>] Overfull \hbox (396.49246pt too wide) in paragraph at lines 13299--13299 []\T1/txtt/m/n/10 CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C )C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C( =O)N(C)C(C(C)C)C(=O)N1C[][] [153 <./RDKitCB_37_im1.png>] [154 <./RDKitCB_37_im2.png>] [155 <./RDKitCB_35_im0.png>] [156] [157 <./RDKitCB_3_im0.png> <./RDKitCB_8_im0.png>] [158] [159 <./RDKitCB_30_im0.png>] [160 <./RDKitCB_30_im1.png>] [161 <./RDKitCB_7_im0.png> <./RDKitCB_7_im1.png>] [162 <./RDKitCB_7_im2.png (PNG copy)> <./RDKitCB_7_im3.png> <./RDKitCB_7_im4.pn g>] [163 <./RDKitCB_7_im5.png> <./RDKitCB_7_im6.png (PNG copy)>] [164] [165] [166 <./RDKitCB_29_im0.png (PNG copy)>] Underfull \vbox (badness 1043) detected at line 13953 [167 <./RDKitCB_33_im0.png (PNG copy)>] Overfull \vbox (0.99814pt too high) detected at line 13988 [168 <./RDKitCB_33_im1.png (PNG copy)>] [169 <./RDKitCB_33_im2.png (PNG copy)>] Overfull \hbox (490.99219pt too wide) in paragraph at lines 14054--14054 []\T1/txtt/m/n/10 "[][]CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C @H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@ @H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O[][] [170 <./RDKitCB_13_im0.png>] [171 <./RDKitCB_13_im1.png>] [172] [173 <./RDKitCB_20_im0.png>] [174 <./RDKitCB_21_im0.png>] [175 <./RDKitCB_21_im1.png>] [176 <./RDKitCB_21_im2.png (PNG copy)> <./RDKitCB_21_im3.png>] [177 <./RDKitCB_21_im4.png>] [178 <./RDKitCB_21_im5.png (PNG copy)>] [179 <./RDKitCB_22_im0.png>] [180 <./RDKitCB_22_im1.png>] [181 <./RDKitCB_6_im0.png (PNG copy)>] [182 <./RDKitCB_6_im1.png (PNG copy)> <./RDKitCB_6_im2.png (PNG copy)>] [183] [184] [185] [186] [187 <./RDKitCB_19_im0.png>] [188] [189] [190 <./RDKitCB_28_im0.png (PNG copy)> <./RDKitCB_28_im1.png (PNG copy)>] [191] [192] Chapter 6. [193] [194] [195] [196] Overfull \hbox (1052.74055pt too wide) in paragraph at lines 15554--15554 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H ]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2C SSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN C(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2| Overfull \hbox (149.74318pt too wide) in paragraph at lines 15556--15556 []\T1/txtt/m/n/10 CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@ H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]1CC(=O)O| Overfull \hbox (97.24333pt too wide) in paragraph at lines 15557--15557 []\T1/txtt/m/n/10 NCCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)Cc1ccccc1) C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O| Overfull \hbox (643.24174pt too wide) in paragraph at lines 15558--15558 []\T1/txtt/m/n/10 CCCCCCCCCCCCCCCCNC(=O)CN(CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1 )C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[ C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(=O)c1cccnc1| Overfull \hbox (464.74226pt too wide) in paragraph at lines 15559--15559 []\T1/txtt/m/n/10 CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=O)NC(C)(C)C(=O)NC( Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O) NC(CCCNC(=N)N)C(=O)NC(CC(N)=O)C(N)=O| Overfull \hbox (359.74257pt too wide) in paragraph at lines 15560--15560 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CCSC)NC1=O| Overfull \hbox (370.24254pt too wide) in paragraph at lines 15561--15561 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CC[S+](C)[O- Overfull \hbox (422.74239pt too wide) in paragraph at lines 15562--15562 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc 2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CC( C)C)NC(=O)[C@H](CC[S+](C)[O- Overfull \hbox (249.49289pt too wide) in paragraph at lines 15563--15563 []\T1/txtt/m/n/10 ])NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H] (Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC[S+](C)[O- Overfull \vbox (2.3893pt too high) detected at line 15565 [197] Overfull \hbox (1052.74055pt too wide) in paragraph at lines 15577--15577 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H ]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2C SSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN C(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2| Overfull \hbox (149.74318pt too wide) in paragraph at lines 15579--15579 []\T1/txtt/m/n/10 CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@ H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]1CC(=O)O| Overfull \hbox (97.24333pt too wide) in paragraph at lines 15580--15580 []\T1/txtt/m/n/10 NCCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)Cc1ccccc1) C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O| Overfull \hbox (643.24174pt too wide) in paragraph at lines 15581--15581 []\T1/txtt/m/n/10 CCCCCCCCCCCCCCCCNC(=O)CN(CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1 )C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[ C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(=O)c1cccnc1| Overfull \hbox (359.74257pt too wide) in paragraph at lines 15582--15582 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CCSC)NC1=O| Overfull \hbox (370.24254pt too wide) in paragraph at lines 15583--15583 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CC[S+](C)[O- Overfull \hbox (422.74239pt too wide) in paragraph at lines 15584--15584 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc 2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CC( C)C)NC(=O)[C@H](CC[S+](C)[O- Overfull \hbox (249.49289pt too wide) in paragraph at lines 15585--15585 []\T1/txtt/m/n/10 ])NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H] (Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC[S+](C)[O- Overfull \hbox (522.4921pt too wide) in paragraph at lines 15586--15586 []\T1/txtt/m/n/10 CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H] (C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CC(C )C)C(=O)O)Cc1ccccc1)Cc1ccccc1)C(C)C)[C@@H](C)CC| [198] [199] [200] [201] [202] [203] [204] [205] [206] [207] [208] [209] [210] [211] [212] Chapter 7. [213] [214] [215] Underfull \hbox (badness 10000) in paragraph at lines 16807--16811 \T1/qtm/m/n/10 Un-charger::uncharge() will now neu-tral-ize \T1/txtt/m/n/10 [Cl ,Br,I][O[]], [Cl,Br,I](=O)[O[]], [Cl, Underfull \hbox (badness 10000) in paragraph at lines 16807--16811 \T1/txtt/m/n/10 Br,I](=O)(=O)[O[]], [Cl,Br,I](=O)(=O)(=O)[O[]], [O[]]N=N[O[]], [N,P](=O)[O[]], Underfull \hbox (badness 10000) in paragraph at lines 16807--16811 \T1/txtt/m/n/10 [N+](=O)([O[]])[O[]], P(=O)([O[]])[O[]], P(=O)([O[]])([O[]])[O[ ]], S([O[]])[O[]], S(=O)([O[]])[O[]], [216] [217] [218] Chapter 8. [219] [220] [221] [222] [223] [224] [225] [226] [227] [228] [229] [230] Chapter 9. [231] [232] [233] Underfull \hbox (badness 10000) in paragraph at lines 18704--18708 \T1/qtm/m/n/10 Groups of molecules are read us-ing a Sup-plier (for ex-am-ple, an \T1/txtt/m/n/10 RDKit::SDMolSupplier \T1/qtm/m/n/10 or an [234] [235] [236] [237] [238] Overfull \vbox (0.8796pt too high) detected at line 19141 [239] [240] Underfull \hbox (badness 6691) in paragraph at lines 19244--19246 []\T1/qtm/m/n/10 The \T1/txtt/m/n/10 auto\TS1/txtt/m/n/10 ' \T1/txtt/m/n/10 key word here is hiding the fact that \T1/qtm/m/n/10 get-Bond-Be-tweenAtoms\T1/txtt /m/n/10 returns the index of the [241] [242] [243] [244] [245] [246] [247] [248] [249] [250] [251] [252] Overfull \vbox (1.8739pt too high) detected at line 20261 [253] [254] [255] [256] Chapter 10. [257] [258] Chapter 11. (./RDKit.ind) [259] (./RDKit.aux) ) (see the transcript file for additional information) Output written on RDKit.pdf (269 pages, 2935735 bytes). Transcript written on RDKit.log. Latexmk: Getting log file 'RDKit.log' Latexmk: Examining 'RDKit.fls' Latexmk: Examining 'RDKit.log' Latexmk: Index file 'RDKit.idx' was written Latexmk: Log file says output to 'RDKit.pdf' Have index file 'RDKit.idx', RDKit.ind RDKit Latexmk: applying rule 'pdflatex'... Rule 'pdflatex': Reasons for rerun Changed files or newly in use/created: RDKit.aux ------------ Run number 3 of rule 'pdflatex' ------------ ------------ Running 'pdflatex -recorder "RDKit.tex"' ------------ This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./RDKit.tex LaTeX2e <2024-11-01> L3 programming layer <2024-11-02> (./sphinxmanual.cls Document Class: sphinxmanual 2019/12/01 v2.3.0 Document class (Sphinx manual) (/usr/share/texlive/texmf-dist/tex/latex/base/report.cls Document Class: report 2024/06/29 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size10.clo))) (/usr/share/texlive/texmf-dist/tex/latex/base/inputenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/cmap/cmap.sty) (/usr/share/texlive/texmf-dist/tex/latex/base/fontenc.sty<>) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. 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(/usr/share/texmf/tex/latex/tex-gyre/ts1qtm.fd) Underfull \hbox (badness 10000) in paragraph at lines 131--133 []\T1/qtm/m/n/10 Chem-in-for-mat-ics nodes for KN-IME (dis-tributed from the KN -IME com-mu-nity site: [1{/usr/share/texmf/fonts/enc/dvips/tex-gyre/q-ts1.enc}] [2] [3] [4] Chapter 2. [5] (/usr/share/texlive/texmf-dist/tex/latex/txfonts/ts1txtt.fd) [6] [7] [8] Underfull \hbox (badness 10000) in paragraph at lines 774--776 []\T1/qtm/m/n/10 If you want to use the python wrap-pers: \T1/txtt/m/n/10 ./boo tstrap.sh [][]with[]libraries=python, [9] [10] Underfull \hbox (badness 10000) in paragraph at lines 941--943 []\T1/qtm/m/n/10 You can en-able sup-port for gen-er-at-ing InChI strings and I nChI keys by adding the ar-gu-ment [11] [12] Underfull \hbox (badness 5490) in paragraph at lines 1166--1168 \T1/qtm/m/n/10 This sec-tion as-sumes that python is in-stalled in \T1/txtt/m/n /10 C:[]Python36 that the boost libraries have been [13] Underfull \hbox (badness 10000) in paragraph at lines 1217--1220 []\T1/txtt/m/n/10 DBOOST_ROOT=C:/boost []DRDK_BUILD_INCHI_SUPPORT=ON []DRDK_BUI LD_AVALON_SUPPORT=ON Underfull \hbox (badness 10000) in paragraph at lines 1217--1220 []\T1/txtt/m/n/10 DRDK_BUILD_PGSQL=ON []DPostgreSQL_ROOT="C:[]Program Files[]Po stgreSQL[]9.5" []G"Visual Underfull \hbox (badness 10000) in paragraph at lines 1231--1233 []\T1/txtt/m/n/10 "C:[]Program Files[]PostgreSQL[]9.5[]bin[]pg_ctl.exe" []N "po stgresql[]9.5" []D "C:[] Underfull \hbox (badness 10000) in paragraph at lines 1239--1241 []\T1/txtt/m/n/10 "C:[]Program Files[]PostgreSQL[]9.5[]bin[]pg_ctl.exe" []N "po stgresql[]9.5" []D "C:[] [14] Chapter 3. [15] [16 <./Cc1ccccc1.png>] [17] [18] [19] [20] [21] [22] [23] [24] Underfull \hbox (badness 10000) in paragraph at lines 1974--1977 []\T1/qtm/m/n/10 An-other op-tion for Com-pute2DCoords al-lows you to gen-er-at e 2D de-pic-tions for molecules that Underfull \hbox (badness 10000) in paragraph at lines 1974--1977 \T1/qtm/m/n/10 closely mimic 3D con-form-ers. This is avail-able us-ing the fun c-tion \T1/txtt/m/n/10 rdkit.Chem.AllChem. Underfull \hbox (badness 10000) in paragraph at lines 1999--2005 []\T1/qtm/m/n/10 More fine-grained con-trol can be ob-tained us-ing the core fu nc-tion \T1/txtt/m/n/10 rdkit.Chem.rdDepictor. 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The de-fault value is \T1/txtt/m/ n/10 true \T1/qtm/m/n/10 un-less the en-vi-ron-ment vari- Underfull \hbox (badness 10000) in paragraph at lines 12608--12618 \T1/qtm/m/n/10 able \T1/txtt/m/n/10 RDK_ENABLE_NONTETRAHEDRAL_STEREO \T1/qtm/m/ n/10 is set to \T1/txtt/m/n/10 "0"\T1/qtm/m/n/10 . Can set/checked from Underfull \hbox (badness 10000) in paragraph at lines 12608--12618 \T1/qtm/m/n/10 C++ us-ing the func-tions \T1/txtt/m/n/10 RDKit::Chirality::setA llowNontetrahedralChirality() \T1/qtm/m/n/10 / Underfull \hbox (badness 10000) in paragraph at lines 12608--12618 \T1/txtt/m/n/10 RDKit::Chirality::getAllowNontetrahedralChirality() \T1/qtm/m/n /10 or from Python us-ing the func-tions Underfull \hbox (badness 10000) in paragraph at lines 12620--12630 []\T1/txtt/m/n/10 useLegacyStereoPerception\T1/qtm/m/n/10 : when this is \T1/tx tt/m/n/10 true \T1/qtm/m/n/10 the legacy im-ple-men-ta-tion for per- Underfull \hbox (badness 10000) in paragraph at lines 12620--12630 \T1/qtm/m/n/10 ceiv-ing stere-o-chem-istry will be used. The de-fault value is \T1/txtt/m/n/10 true \T1/qtm/m/n/10 un-less the en-vi-ron- Underfull \hbox (badness 10000) in paragraph at lines 12620--12630 \T1/qtm/m/n/10 ment vari-able \T1/txtt/m/n/10 RDK_USE_LEGACY_STEREO_PERCEPTION \T1/qtm/m/n/10 is set to \T1/txtt/m/n/10 "0"\T1/qtm/m/n/10 . Can set/checked Underfull \hbox (badness 10000) in paragraph at lines 12620--12630 \T1/qtm/m/n/10 from C++ us-ing the func-tions \T1/txtt/m/n/10 RDKit::Chirality: :setUseLegacyStereoPerception() \T1/qtm/m/n/10 / [135] [136] Chapter 5. [137] [138 <./RDKitCB_0_im0.png> <./RDKitCB_0_im1.png>] [139 <./RDKitCB_0_im2.png> <./RDKitCB_40_im0.png>] [140 <./RDKitCB_40_im1.png> <./RDKitCB_23_im0.png>] [141 <./RDKitCB_23_im1.png> <./RDKitCB_32_im0.png>] [142 <./RDKitCB_32_im1.png> <./RDKitCB_1_im0.png (PNG copy)>] [143 <./RDKitCB_1_im1.png (PNG copy)> <./RDKitCB_1_im2.png (PNG copy)>] [144 <./RDKitCB_1_im3.png (PNG copy)> <./RDKitCB_2_im0.png>] [145 <./RDKitCB_2_im1.png> <./RDKitCB_36_im0.png>] [146 <./RDKitCB_36_im1.png>] [147 <./RDKitCB_38_im0.png>] [148 <./RDKitCB_39_im0.png (PNG copy)>] [149 <./RDKitCB_17_im0.png> <./RDKitCB_17_im1.png>] [150 <./RDKitCB_34_im0.png> <./RDKitCB_34_im1.png> <./RDKitCB_34_im2.png>] [151] Overfull \hbox (396.49246pt too wide) in paragraph at lines 13270--13270 []\T1/txtt/m/n/10 CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C )C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C( =O)N(C)C(C(C)C)C(=O)N1C[][] [152 <./RDKitCB_37_im0.png>] Overfull \hbox (396.49246pt too wide) in paragraph at lines 13299--13299 []\T1/txtt/m/n/10 CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C )C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C( =O)N(C)C(C(C)C)C(=O)N1C[][] [153 <./RDKitCB_37_im1.png>] [154 <./RDKitCB_37_im2.png>] [155 <./RDKitCB_35_im0.png>] [156] [157 <./RDKitCB_3_im0.png> <./RDKitCB_8_im0.png>] [158] [159 <./RDKitCB_30_im0.png>] [160 <./RDKitCB_30_im1.png>] [161 <./RDKitCB_7_im0.png> <./RDKitCB_7_im1.png>] [162 <./RDKitCB_7_im2.png (PNG copy)> <./RDKitCB_7_im3.png> <./RDKitCB_7_im4.pn g>] [163 <./RDKitCB_7_im5.png> <./RDKitCB_7_im6.png (PNG copy)>] [164] [165] [166 <./RDKitCB_29_im0.png (PNG copy)>] Underfull \vbox (badness 1043) detected at line 13953 [167 <./RDKitCB_33_im0.png (PNG copy)>] Overfull \vbox (0.99814pt too high) detected at line 13988 [168 <./RDKitCB_33_im1.png (PNG copy)>] [169 <./RDKitCB_33_im2.png (PNG copy)>] Overfull \hbox (490.99219pt too wide) in paragraph at lines 14054--14054 []\T1/txtt/m/n/10 "[][]CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C @H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@ @H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O[][] [170 <./RDKitCB_13_im0.png>] [171 <./RDKitCB_13_im1.png>] [172] [173 <./RDKitCB_20_im0.png>] [174 <./RDKitCB_21_im0.png>] [175 <./RDKitCB_21_im1.png>] [176 <./RDKitCB_21_im2.png (PNG copy)> <./RDKitCB_21_im3.png>] [177 <./RDKitCB_21_im4.png>] [178 <./RDKitCB_21_im5.png (PNG copy)>] [179 <./RDKitCB_22_im0.png>] [180 <./RDKitCB_22_im1.png>] [181 <./RDKitCB_6_im0.png (PNG copy)>] [182 <./RDKitCB_6_im1.png (PNG copy)> <./RDKitCB_6_im2.png (PNG copy)>] [183] [184] [185] [186] [187 <./RDKitCB_19_im0.png>] [188] [189] [190 <./RDKitCB_28_im0.png (PNG copy)> <./RDKitCB_28_im1.png (PNG copy)>] [191] [192] Chapter 6. [193] [194] [195] [196] Overfull \hbox (1052.74055pt too wide) in paragraph at lines 15554--15554 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H ]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2C SSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN C(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2| Overfull \hbox (149.74318pt too wide) in paragraph at lines 15556--15556 []\T1/txtt/m/n/10 CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@ H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]1CC(=O)O| Overfull \hbox (97.24333pt too wide) in paragraph at lines 15557--15557 []\T1/txtt/m/n/10 NCCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)Cc1ccccc1) C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O| Overfull \hbox (643.24174pt too wide) in paragraph at lines 15558--15558 []\T1/txtt/m/n/10 CCCCCCCCCCCCCCCCNC(=O)CN(CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1 )C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[ C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(=O)c1cccnc1| Overfull \hbox (464.74226pt too wide) in paragraph at lines 15559--15559 []\T1/txtt/m/n/10 CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=O)NC(C)(C)C(=O)NC( Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O) NC(CCCNC(=N)N)C(=O)NC(CC(N)=O)C(N)=O| Overfull \hbox (359.74257pt too wide) in paragraph at lines 15560--15560 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CCSC)NC1=O| Overfull \hbox (370.24254pt too wide) in paragraph at lines 15561--15561 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CC[S+](C)[O- Overfull \hbox (422.74239pt too wide) in paragraph at lines 15562--15562 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc 2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CC( C)C)NC(=O)[C@H](CC[S+](C)[O- Overfull \hbox (249.49289pt too wide) in paragraph at lines 15563--15563 []\T1/txtt/m/n/10 ])NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H] (Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC[S+](C)[O- Overfull \vbox (2.3893pt too high) detected at line 15565 [197] Overfull \hbox (1052.74055pt too wide) in paragraph at lines 15577--15577 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H ]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H]2C SSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN C(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2| Overfull \hbox (149.74318pt too wide) in paragraph at lines 15579--15579 []\T1/txtt/m/n/10 CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@ H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]1CC(=O)O| Overfull \hbox (97.24333pt too wide) in paragraph at lines 15580--15580 []\T1/txtt/m/n/10 NCCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)Cc1ccccc1) C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O| Overfull \hbox (643.24174pt too wide) in paragraph at lines 15581--15581 []\T1/txtt/m/n/10 CCCCCCCCCCCCCCCCNC(=O)CN(CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1 )C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[ C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(=O)c1cccnc1| Overfull \hbox (359.74257pt too wide) in paragraph at lines 15582--15582 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CCSC)NC1=O| Overfull \hbox (370.24254pt too wide) in paragraph at lines 15583--15583 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC( =O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O) [C@H](CC[S+](C)[O- Overfull \hbox (422.74239pt too wide) in paragraph at lines 15584--15584 []\T1/txtt/m/n/10 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc 2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)[C@H](CC( C)C)NC(=O)[C@H](CC[S+](C)[O- Overfull \hbox (249.49289pt too wide) in paragraph at lines 15585--15585 []\T1/txtt/m/n/10 ])NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H] (Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC[S+](C)[O- Overfull \hbox (522.4921pt too wide) in paragraph at lines 15586--15586 []\T1/txtt/m/n/10 CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H] (C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CC(C )C)C(=O)O)Cc1ccccc1)Cc1ccccc1)C(C)C)[C@@H](C)CC| [198] [199] [200] [201] [202] [203] [204] [205] [206] [207] [208] [209] [210] [211] [212] Chapter 7. [213] [214] [215] Underfull \hbox (badness 10000) in paragraph at lines 16807--16811 \T1/qtm/m/n/10 Un-charger::uncharge() will now neu-tral-ize \T1/txtt/m/n/10 [Cl ,Br,I][O[]], [Cl,Br,I](=O)[O[]], [Cl, Underfull \hbox (badness 10000) in paragraph at lines 16807--16811 \T1/txtt/m/n/10 Br,I](=O)(=O)[O[]], [Cl,Br,I](=O)(=O)(=O)[O[]], [O[]]N=N[O[]], [N,P](=O)[O[]], Underfull \hbox (badness 10000) in paragraph at lines 16807--16811 \T1/txtt/m/n/10 [N+](=O)([O[]])[O[]], P(=O)([O[]])[O[]], P(=O)([O[]])([O[]])[O[ ]], S([O[]])[O[]], S(=O)([O[]])[O[]], [216] [217] [218] Chapter 8. [219] [220] [221] [222] [223] [224] [225] [226] [227] [228] [229] [230] Chapter 9. [231] [232] [233] Underfull \hbox (badness 10000) in paragraph at lines 18704--18708 \T1/qtm/m/n/10 Groups of molecules are read us-ing a Sup-plier (for ex-am-ple, an \T1/txtt/m/n/10 RDKit::SDMolSupplier \T1/qtm/m/n/10 or an [234] [235] [236] [237] [238] Overfull \vbox (0.8796pt too high) detected at line 19141 [239] [240] Underfull \hbox (badness 6691) in paragraph at lines 19244--19246 []\T1/qtm/m/n/10 The \T1/txtt/m/n/10 auto\TS1/txtt/m/n/10 ' \T1/txtt/m/n/10 key word here is hiding the fact that \T1/qtm/m/n/10 get-Bond-Be-tweenAtoms\T1/txtt /m/n/10 returns the index of the [241] [242] [243] [244] [245] [246] [247] [248] [249] [250] [251] [252] Overfull \vbox (1.8739pt too high) detected at line 20261 [253] [254] [255] [256] Chapter 10. [257] [258] Chapter 11. (./RDKit.ind) [259] (./RDKit.aux) ) (see the transcript file for additional information) Output written on RDKit.pdf (269 pages, 2935735 bytes). Transcript written on RDKit.log. Latexmk: Getting log file 'RDKit.log' Latexmk: Examining 'RDKit.fls' Latexmk: Examining 'RDKit.log' Latexmk: Index file 'RDKit.idx' was written Latexmk: Log file says output to 'RDKit.pdf' Have index file 'RDKit.idx', RDKit.ind RDKit Latexmk: All targets (RDKit.pdf) are up-to-date make[3]: Leaving directory '/build/reproducible-path/rdkit-202409.2/Docs/Book/_build/latex' pdflatex finished; the PDF files are in _build/latex. make[2]: Leaving directory '/build/reproducible-path/rdkit-202409.2/Docs/Book' make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.2' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/rdkit-202409.2' cp -r rdkit obj-*/ find /build/reproducible-path/rdkit-202409.2 -name rdchem.so /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so PYTHONPATH=/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/:/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//rdkit/Chem/ LD_LIBRARY_PATH="/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib:" dh_auto_test cd obj-aarch64-linux-gnu && make -j12 test ARGS\+=--verbose ARGS\+=-j12 make[2]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' Running tests... /usr/bin/ctest --force-new-ctest-process --verbose -j12 UpdateCTestConfiguration from :/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/DartConfiguration.tcl Parse Config file:/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/DartConfiguration.tcl Add coverage exclude regular expressions. UpdateCTestConfiguration from :/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/DartConfiguration.tcl Parse Config file:/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/rdkit-202409.2/obj-aarch64-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 test 1 Start 1: testCoordGen 1: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/CoordGen/testCoordGen 1: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/CoordGen 1: Test timeout computed to be: 1500 test 2 Start 2: pyCoordGen 2: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/External/CoordGen/Wrap/testCoordGen.py" 2: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/External/CoordGen/Wrap 2: Test timeout computed to be: 1500 test 3 Start 3: testDict 3: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral/testDict 3: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral 3: Test timeout computed to be: 1500 test 4 Start 4: testRDValue 4: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral/testRDValue 4: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral 4: Test timeout computed to be: 1500 test 5 Start 5: testConcurrentQueue 5: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral/testConcurrentQueue 5: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral 5: Test timeout computed to be: 1500 test 6 Start 6: dictTestsCatch 6: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral/dictTestsCatch 6: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral 6: Test timeout computed to be: 1500 test 7 Start 7: logTestsCatch 7: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral/logTestsCatch 7: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/RDGeneral 7: Test timeout computed to be: 1500 test 8 Start 8: testDataStructs 8: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs/testDataStructs 8: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs 8: Test timeout computed to be: 1500 test 9 Start 9: testFPB 9: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs/testFPB 9: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs 9: Test timeout computed to be: 1500 test 10 Start 10: testMultiFPB 10: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs/testMultiFPB 10: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs 10: Test timeout computed to be: 1500 test 11 Start 11: catchDataStructs 11: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs/catchDataStructs 11: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs 11: Test timeout computed to be: 1500 test 12 Start 12: pyBV 12: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/testBV.py" 12: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs/Wrap 12: Test timeout computed to be: 1500 3: [02:22:45] Testing Github940: property dictionaries leaking memory 3: [02:22:45] done 3: Testing RDValue 3: Testing RDAny 3: dict set int vect 3: dict get int vect 3: static boost any:0.04699 s 4: -- running tests -- 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: == int 4: == double 4: == float 4: == unsigned int 4: == bool 4: == std::string 5: [02:22:45] 5: ----------------------------------------- 5: [02:22:45] Finished: testPushAndPop() 5: [02:22:45] 5: ----------------------------------------- 5: [02:22:45] 5: ----------------------------------------- 6: Randomness seeded to: 833192205 6: =============================================================================== 6: All tests passed (32 assertions in 2 test cases) 6: 7: [02:22:45] should not be silent 7: [02:22:45] should not be silent 7: Randomness seeded to: 567841421 7: [02:22:45] should not be silent 7: [02:22:45] should not be silent 7: [02:22:45] should not be silent 7: [02:22:45] should not be silent 7: [02:22:45] should not be silent 7: [02:22:45] should not be silent 7: [02:22:45] should not be silent 7: [02:22:45] should not be silent 7: =============================================================================== 7: All tests passed (26 assertions in 3 test cases) 7: 8: [02:22:45] pass 8: [02:22:45] v3 4 8: [02:22:45] v4 5 8: [02:22:45] SPARSE ----------------------------------- 8: [02:22:45] Set 10: 0 8: [02:22:45] Set 11: 0 8: [02:22:45] Set 14: 0 8: [02:22:45] Set 10: 1 8: [02:22:45] Get 14: 1 8: [02:22:45] Num: 20 8: [02:22:45] NumOn: 3 8: [02:22:45] NumOff: 17 8: 10, 11, 14, 8: [02:22:45] t2[19]: 0 8: [02:22:45] t2[14]: 1 8: [02:22:45] t2[19]: 0 8: [02:22:45] t2[14]: 0 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: [02:22:45] Explicit ---------------------------------- 8: [02:22:45] Set 10: 0 8: [02:22:45] Set 11: 0 8: [02:22:45] Set 14: 0 8: [02:22:45] Set 10: 1 8: [02:22:45] Get 14: 1 8: [02:22:45] Num: 20 8: [02:22:45] NumOn: 3 8: [02:22:45] NumOff: 17 8: 10, 11, 14, 8: [02:22:45] t2[19]: 0 8: [02:22:45] t2[14]: 1 8: [02:22:45] t2[19]: 0 8: [02:22:45] t2[14]: 0 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: [02:22:45] Done 8: [02:22:45] Test DiscreteValue Vectors 1 ---------------------------- 8: [02:22:45] Expected failure: Value out of range 8: [02:22:45] Expected failure: Value out of range 8: [02:22:45] Expected failure: Value out of range 8: [02:22:45] Expected failure: Value out of range 8: [02:22:45] Expected failure: Value out of range 8: [02:22:45] Test DiscreteValue Vectors 2 ------------------------------ 8: [02:22:45] Test DiscreteValue Vectors 3 --------------------------- 8: [02:22:45] Test DiscreteValue Operations ----------------------------- 8: [02:22:45] Test DiscreteValue Operations 2 -------------------------- 8: [02:22:45] Test SparseIntVect ------------------------------------ 8: [02:22:45] Test SparseIntVect Serialization -------------------------- 8: [02:22:45] Test BitVect Serialization ------------------------------- 8: [02:22:45] Test BitVect to FPS ------------------------------- 8: [02:22:45] Test BitVect to binary string ------------------------------- 8: [02:22:45] Test Similarity Measures BitVect ------------------------------- 8: [02:22:45] Test Similarity Measures SparseBitVect ------------------------------- 8: [02:22:45] Test BitVect with all ones ------------------------------- 8: [02:22:45] Test Explicit BitVects: Concatenation Operation ------------------------------- 8: [02:22:45] Test bitmap operations ------------------------------- 8: [02:22:45] Test bitmaps as properties ------------------------------- 8: [02:22:45] Test #3944: SparseIntVect copy constructor and assignment operators not clearing existing data------------------------------- 11: Randomness seeded to: 1119119797 11: =============================================================================== 11: All tests passed (3 assertions in 1 test case) 11: 1/230 Test #4: testRDValue ............................ Passed 0.09 sec 2/230 Test #6: dictTestsCatch ......................... Passed 0.08 sec 3/230 Test #7: logTestsCatch .......................... Passed 0.07 sec 4/230 Test #8: testDataStructs ........................ Passed 0.06 sec 5/230 Test #9: testFPB ................................ Passed 0.05 sec 6/230 Test #11: catchDataStructs ....................... Passed 0.02 sec test 13 Start 13: pyDiscreteValueVect 13: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/testDiscreteValueVect.py" 13: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs/Wrap 13: Test timeout computed to be: 1500 test 14 Start 14: pySparseIntVect 14: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/testSparseIntVect.py" 14: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs/Wrap 14: Test timeout computed to be: 1500 test 15 Start 15: pyFPB 15: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/DataStructs/Wrap/testFPB.py" 15: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataStructs/Wrap 15: Test timeout computed to be: 1500 test 16 Start 16: testTransforms 16: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry/testTransforms 16: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry 16: Test timeout computed to be: 1500 test 17 Start 17: testGrid 17: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry/testGrid 17: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry 17: Test timeout computed to be: 1500 test 18 Start 18: geometryTestsCatch 18: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry/geometryTestsCatch 18: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry 18: Test timeout computed to be: 1500 16: **************************************** 16: testPointND 16: **************************************** 16: testPointOps3D 16: **************************************** 16: testPointOps2D 16: **************************************** 16: test12D 16: ref1: 2.1736 2.70909 ref2: 4.87337 1.32981 16: pt1: 1.80514 2.32264 pt2: 2.19421 3.23971 16: **************************************** 16: test23D 16: **************************************** 16: test3MatMultiply 16: Pt1: 1 0 0 Pt2: 2 0 0 16: -Pt1: -1 -0 -0 16: tp1: 0 0 0 tp2: 0 0 0 16: tp1: 0 0 0 tp2: 0 0 0 16: tp1: 0 0 3 tp2: 0 0 3 16: npt1: 0 0 3 npt2: 0 0 4 16: Pt1: 0 0 3 Pt2: 6.12323e-17 0 4 16: **************************************** 16: testFromQuaternion 16: **************************************** 7/230 Test #16: testTransforms ......................... Passed 0.04 sec test 19 Start 19: testPyGeometry 19: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/Geometry/Wrap/testGeometry.py" 19: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Geometry/Wrap 19: Test timeout computed to be: 1500 18: Randomness seeded to: 2873409511 18: =============================================================================== 18: All tests passed (50 assertions in 5 test cases) 18: 17: *********************************************************** 17: Testing Grid 17: --------------------------------- 17: testUniformGrid1 17: 17: --------------------------------- 17: testUniformGrid2 17: 17: --------------------------------- 17: testUniformGridPickling 17: 17: --------------------------------- 17: testGridOps 17: 17: --------------------------------- 17: testUniformGridIndexing 17: 8/230 Test #17: testGrid ............................... Passed 0.04 sec 9/230 Test #18: geometryTestsCatch ..................... Passed 0.03 sec test 20 Start 20: testMatrices 20: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/testMatrices 20: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics 20: Test timeout computed to be: 1500 test 21 Start 21: testConrec 21: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/testConrec 21: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics 21: Test timeout computed to be: 1500 20: [02:22:45] ----------------------------------------- 20: [02:22:45] Testing RDNumerics: vectors and matrices Code 20: [02:22:45] --------------------------------------- 20: [02:22:45] test1Vector 20: [02:22:45] --------------------------------------- 20: [02:22:45] test2Matrix 20: [02:22:45] --------------------------------------- 20: [02:22:45] test3SquareMatrix 20: [02:22:45] --------------------------------------- 20: [02:22:45] test4SymmMatrix 10/230 Test #20: testMatrices ........................... Passed 0.02 sec test 22 Start 22: testAlignment 22: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/Alignment/testAlignment 22: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/Alignment 22: Test timeout computed to be: 1500 22: ----------------------------------------- 22: Testing Alignment Code 22: --------------------------------------- 22: testBasic 22: --------------------------------------- 22: testTriangle 22: --------------------------------------- 22: testFourPts 22: --------------------------------------- 22: testReflection 22: --------------------------------------- 11/230 Test #22: testAlignment .......................... Passed 0.01 sec test 23 Start 23: pyAlignment 23: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/Numerics/Alignment/Wrap/testAlignment.py" 23: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap 23: Test timeout computed to be: 1500 21: Randomness seeded to: 3957194059 21: =============================================================================== 21: All tests passed (76 assertions in 3 test cases) 21: 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: 12/230 Test #21: testConrec ............................. Passed 0.05 sec test 24 Start 24: testOptimizer 24: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/Optimizer/testOptimizer 24: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Numerics/Optimizer 24: Test timeout computed to be: 1500 24: ------------------------------------- 24: Testing linear search. 24: done 24: ------------------------------------- 24: Testing BFGS optimization. 24: done 13/230 Test #24: testOptimizer .......................... Passed 0.01 sec test 25 Start 25: ForceFieldsCatch 25: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField/ForceFieldsCatch 25: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField 25: Test timeout computed to be: 1500 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: 14/230 Test #10: testMultiFPB ........................... Passed 0.20 sec test 26 Start 26: testUFFForceField 26: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField/UFF/testUFFForceField 26: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField/UFF 26: Test timeout computed to be: 1500 1: templated 1: RDKit 2D 1: 1: 7 7 0 0 0 0 0 0 0 0999 V2000 1: 0.6824 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.1850 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.6824 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1850 0.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 1 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 10 10 0 0 0 0 0 0 0 0999 V2000 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 1 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: 0.2846 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2790 -1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5898 -2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4530 -1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4476 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5788 -0.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5732 0.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2956 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3012 2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1700 2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1590 0.7434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1534 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 8 11 1 0 1: 11 12 1 0 1: 12 1 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 8 11 1 0 1: 11 12 1 0 1: 12 1 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 10 10 0 0 0 0 0 0 0 0999 V2000 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 1 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 16 16 0 0 0 0 0 0 0 0999 V2000 1: 1.7868 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.6532 1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.5187 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.5180 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.6515 -0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7860 -0.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.9195 -0.7195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0539 -0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8124 -0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.6780 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.5445 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.4101 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.2764 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.1421 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0547 0.7811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.9211 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 11 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 8 15 1 0 1: 15 16 1 0 1: 16 1 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 16 16 0 0 0 0 0 0 0 0999 V2000 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 11 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 8 15 1 0 1: 15 16 1 0 1: 16 1 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 9 10 0 0 0 0 0 0 0 0999 V2000 1: 0.6718 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5374 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5366 0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6702 1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1954 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1946 -0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1454 -0.8098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.7338 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1466 0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 6 1 1 0 1: 9 5 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 19 21 0 0 0 0 0 0 0 0999 V2000 1: -0.5657 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4321 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2977 -0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2969 -1.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.1625 -2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4329 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5673 1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5681 2.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2975 2.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2975 2.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.7969 3.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2991 0.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2999 -0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2513 -0.7362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5609 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5393 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8923 -2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.8381 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2499 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 7 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 14 15 1 0 1: 15 16 1 0 1: 15 17 1 0 1: 14 18 1 0 1: 18 19 1 0 1: 13 1 1 0 1: 19 12 1 0 1: 11 9 1 0 1: M END 1: 25: Randomness seeded to: 1466371123 25: =============================================================================== 25: All tests passed (20 assertions in 2 test cases) 25: 1: templated 1: RDKit 2D 1: 1: 19 21 0 0 0 0 0 0 0 0999 V2000 1: 0.5360 -0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4021 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2680 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2680 -1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4020 -2.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4021 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5360 1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5360 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3300 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8300 3.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2812 -0.7457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.5900 -1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.9208 -2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.5682 -1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.8686 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2812 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 7 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 14 15 1 0 1: 15 16 1 0 1: 15 17 1 0 1: 14 18 1 0 1: 18 19 1 0 1: 13 1 1 0 1: 19 12 1 0 1: 11 9 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 5 4 0 0 0 0 0 0 0 0999 V2000 1: 1.2134 -0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3464 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3444 1.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5186 -0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3856 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 7 6 0 0 0 0 0 0 0 0999 V2000 1: -1.7333 -0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8661 -0.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8641 0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0011 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8659 -0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8679 0.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7309 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 5 7 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 7 6 0 0 0 0 0 0 0 0999 V2000 1: 1.2227 -0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3464 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3350 1.0058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5185 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3902 -0.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2506 -0.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4014 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 5 7 1 0 1: M END 1: 26: ------------------------------------- 26: Unit tests for force field basics. 26: done 26: ------------------------------------- 26: Unit tests for basics of UFF bond-stretch terms. 26: done 26: ------------------------------------- 26: Unit tests for UFF bond-stretch terms. 26: done 26: ------------------------------------- 26: Unit tests for basics of UFF angle terms. 26: done 26: ------------------------------------- 26: Unit tests for UFF angle-bend terms. 26: theta = 3.14159; theta0 = 3.14159 26: theta = 2.094395, param1.theta0 = 2.094395 26: done 26: ------------------------------------- 26: Test Simple UFF molecule optimizations. 26: done 26: ------------------------------------- 26: Unit tests for UFF nonbonded terms. 26: done 26: ------------------------------------- 26: Test UFF torsional terms. 26: done 26: ------------------------------------- 26: Test UFF Parameter objects 26: ------------------------------------- 26: Test Simple UFF molecule optimization, part 2. 26: done 26: ------------------------------------- 26: Test UFF Torsion Conflicts. 26: C 0.4783 -0.7477 -0.0753 26: C -0.5465 -0.0176 0.3519 26: C -0.5114 1.4472 0.0870 26: H -1.5201 -0.4838 0.2485 26: H 0.4696 1.8363 0.3367 26: O -1.2618 1.9423 0.6934 26: F -0.7163 1.6298 -0.9622 26: done 26: ------------------------------------- 26: Unit tests for UFF distance constraint terms. 26: done 26: ------------------------------------- 26: Unit tests for all UFF constraint terms. 1: test1 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: 0.3628 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5014 1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3692 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2334 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.1012 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3728 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5086 -0.9565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3594 -0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2234 -0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.0912 -0.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.0948 0.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.9554 -0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 2 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 3 6 2 0 1: 6 7 1 0 1: 7 8 2 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 2 0 1: 10 12 1 0 1: 8 1 1 0 1: M END 1: 1: test2 1: RDKit 2D 1: 1: 5 4 0 0 0 0 0 0 0 0999 V2000 1: -0.4980 0.7210 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0004 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8678 -0.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5020 0.7182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8642 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 2 5 1 0 1: M END 1: 15/230 Test #25: ForceFieldsCatch ....................... Passed 0.10 sec test 27 Start 27: testMMFFForceField 27: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField/MMFF/testMMFFForceField 27: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField/MMFF 27: Test timeout computed to be: 1500 3: dynamic boost any:0.236352 s 27: ------------------------------------- 27: Official MMFF validation suite. 26: done 26: ------------------------------------- 26: Unit tests for copying UFF ForceFields. 26: done 26: ------------------------------------- 26: Unit test for UFF butane scan. 3: static RDAny:0.027293 s 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: 23: ..... 23: ---------------------------------------------------------------------- 23: Ran 5 tests in 0.011s 23: 23: OK 23: Testing Alignment Wrapper code: 14: ......... 14: ---------------------------------------------------------------------- 14: Ran 9 tests in 0.025s 14: 14: OK 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: 19: ........... 19: ---------------------------------------------------------------------- 19: Ran 11 tests in 0.023s 19: 19: OK 19: Testing Geometry wrapper 15: ......... 15: ---------------------------------------------------------------------- 15: Ran 9 tests in 0.057s 15: 15: OK 16/230 Test #1: testCoordGen ........................... Passed 0.51 sec test 28 Start 28: pyForceFieldConstraints 28: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/ForceField/Wrap/testConstraints.py" 28: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ForceField/Wrap 28: Test timeout computed to be: 1500 13: ...... 13: ---------------------------------------------------------------------- 13: Ran 6 tests in 0.058s 13: 13: OK 17/230 Test #23: pyAlignment ............................ Passed 0.33 sec test 29 Start 29: testDistGeom 29: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DistGeom/testDistGeom 29: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DistGeom 29: Test timeout computed to be: 1500 29: *********************************************************** 29: test1 29: *********************************************************** 29: testIssue216 29: Rows: 4 Columns: 4 29: 0 1 1 1 29: 1 0 1 1 29: 1 1 0 1 29: 1 1 1 0 29: *********************************************************** 29: 18/230 Test #29: testDistGeom ........................... Passed 0.02 sec test 30 Start 30: pyDistGeom 30: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/DistGeom/Wrap/rough_test.py" 30: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DistGeom/Wrap 30: Test timeout computed to be: 1500 19/230 Test #14: pySparseIntVect ........................ Passed 0.47 sec 20/230 Test #15: pyFPB .................................. Passed 0.46 sec test 31 Start 31: graphmolTest1 31: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 31: Test timeout computed to be: 1500 test 32 Start 32: graphmolcpTest 32: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolcpTest 32: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 32: Test timeout computed to be: 1500 21/230 Test #19: testPyGeometry ......................... Passed 0.44 sec test 33 Start 33: graphmolqueryTest 33: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolqueryTest 33: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 33: Test timeout computed to be: 1500 32: 32: 32: 32: COPY 31: Atoms: 31: 0 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: 31: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 31: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 31: 3 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 31: 4 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 31: 5 6 C chg: 0 deg: 1 exp: 3 imp: 1 hyb: 31: 6 6 C chg: 0 deg: 2 exp: 4 imp: 0 hyb: 31: 7 7 N chg: 0 deg: 2 exp: 1 imp: 2 hyb: arom?: 1 query: AtomAtomicNum 31: 8 22 Ti chg: 0 deg: 1 exp: N/A imp: N/A hyb: 31: Bonds: 31: 0 0->1 order: 1 31: 1 1->2 order: 2 31: 2 2->3 order: 1 31: 3 0->4 order: 1 31: 4 5->6 order: 3 31: 5 6->7 order: 1 31: 6 7->8 order: 2 31: [02:22:45] 31: 31: **** 31: Pre-condition Violation 31: bond already exists 31: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp 31: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second) 31: ---------- 31: Stacktrace: 31: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 31: 3# 0x0000AAAAC5B2B040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 4# 0x0000AAAAC5B2367C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 5# 0x0000FFFF954A229C in /lib/aarch64-linux-gnu/libc.so.6 31: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 31: 7# 0x0000AAAAC5B23770 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: ---------- 31: **** 31: 31: [02:22:45] 31: 31: **** 31: Pre-condition Violation 31: bond already exists 31: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp 31: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second) 31: ---------- 31: Stacktrace: 31: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 31: 3# 0x0000AAAAC5B2B260 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 4# 0x0000AAAAC5B2367C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 5# 0x0000FFFF954A229C in /lib/aarch64-linux-gnu/libc.so.6 31: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 31: 7# 0x0000AAAAC5B23770 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: ---------- 31: **** 31: 31: [02:22:45] 31: 31: **** 31: Pre-condition Violation 31: attempt to add self-bond 31: Violation occurred on line 498 in file ./Code/GraphMol/RWMol.cpp 31: Failed Expression: atomIdx1 != atomIdx2 31: ---------- 31: Stacktrace: 31: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 31: 3# 0x0000AAAAC5B2B354 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 4# 0x0000AAAAC5B2367C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 5# 0x0000FFFF954A229C in /lib/aarch64-linux-gnu/libc.so.6 31: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 31: 7# 0x0000AAAAC5B23770 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: ---------- 31: **** 31: 31: [02:22:45] 31: 31: **** 31: Pre-condition Violation 31: bond already exists 31: Violation occurred on line 419 in file ./Code/GraphMol/ROMol.cpp 31: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second) 31: ---------- 31: Stacktrace: 31: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 31: 3# 0x0000AAAAC5B2B394 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 4# 0x0000AAAAC5B2367C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 5# 0x0000FFFF954A229C in /lib/aarch64-linux-gnu/libc.so.6 31: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 31: 7# 0x0000AAAAC5B23770 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: ---------- 31: **** 31: 31: [02:22:45] 31: 31: **** 31: Pre-condition Violation 31: attempt to add self-bond 31: Violation occurred on line 417 in file ./Code/GraphMol/ROMol.cpp 31: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx() 31: ---------- 31: Stacktrace: 31: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 31: 3# 0x0000AAAAC5B2B4DC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 4# 0x0000AAAAC5B2367C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 5# 0x0000FFFF954A229C in /lib/aarch64-linux-gnu/libc.so.6 31: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 31: 7# 0x0000AAAAC5B23770 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: ---------- 31: **** 31: 31: [02:22:45] Explicit valence for atom # 0 B, 4, is greater than permitted 31: [02:22:45] Explicit valence for atom # 0 B, 4, is greater than permitted 33: [02:22:45] ---------------------- Test1 22/230 Test #32: graphmolcpTest ......................... Passed 0.03 sec test 34 Start 34: graphmolMolOpsTest 34: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMolOpsTest 34: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 34: Test timeout computed to be: 1500 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test2 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test3 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test4 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test5 33: [02:22:45] Done! 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test issue 2892580 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test github issue 53: query molecules not matching [R] 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test queries using qualifiers instead of == 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test Github issue 165: radicals not used in atom-atom matching 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test extra atom queries 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test extra bond queries 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test num heteroatom neighbor queries 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test atom type queries 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Test Github #2471: dummy atom queries are flagged as complex 33: [02:22:45] Done! 33: [02:22:45] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery() 33: [02:22:45] Done! 23/230 Test #33: graphmolqueryTest ...................... Passed 0.04 sec test 35 Start 35: graphmoltestChirality 35: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestChirality 35: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 35: Test timeout computed to be: 1500 31: [02:22:45] 31: 31: **** 31: Post-condition Violation 31: Element 'Xx' not found 31: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 31: Failed Expression: anum > -1 31: ---------- 31: Stacktrace: 31: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 3# 0x0000AAAAC5B56048 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 4# 0x0000AAAAC5B39BF8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 5# 0x0000AAAAC5B23688 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 6# 0x0000FFFF954A229C in /lib/aarch64-linux-gnu/libc.so.6 31: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 31: 8# 0x0000AAAAC5B23770 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: ---------- 31: **** 31: 31: [02:22:45] ------------------------------------- 31: [02:22:45] Test github381: thread-safe initialization of the periodic table 26: done 24/230 Test #26: testUFFForceField ...................... Passed 0.40 sec test 36 Start 36: graphmoltestPickler 36: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestPickler 36: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 36: Test timeout computed to be: 1500 2: .... 2: ---------------------------------------------------------------------- 2: Ran 4 tests in 0.046s 2: 2: OK 27: 27: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf... 25/230 Test #13: pyDiscreteValueVect .................... Passed 0.58 sec test 37 Start 37: graphmoltestPicklerGlobalSetting 37: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting 37: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 37: Test timeout computed to be: 1500 35: -------------------------- 35: -------------------------- 35: C/C=C/C(C)Cl 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing String Pickle Roundtrips. 31: [02:22:45] done 31: [02:22:45] ------------------------------------- 31: [02:22:45] Test github1041: Segfault for atom with no owner (expect some warnings) 31: [02:22:45] 31: 31: **** 31: Pre-condition Violation 31: no owner 31: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h 31: Failed Expression: dp_mol 31: ---------- 31: Stacktrace: 31: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 2# 0x0000AAAAC5B4A2D8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 3# 0x0000AAAAC5B236AC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 4# 0x0000FFFF954A229C in /lib/aarch64-linux-gnu/libc.so.6 31: 5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 31: 6# 0x0000AAAAC5B23770 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: ---------- 31: **** 31: 31: [02:22:45] 31: 31: **** 31: Pre-condition Violation 31: no owner 31: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h 31: Failed Expression: dp_mol 31: ---------- 31: Stacktrace: 31: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 2# 0x0000AAAAC5B4A6B4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 3# 0x0000AAAAC5B236AC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 4# 0x0000FFFF954A229C in /lib/aarch64-linux-gnu/libc.so.6 31: 5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 31: 6# 0x0000AAAAC5B23770 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: ---------- 31: **** 31: 31: [02:22:45] done 31: [02:22:45] ------------------------------------- 31: [02:22:45] Test github1041: Segfault for atom with no owner (expect some warnings) 31: [02:22:45] 31: 31: **** 31: Pre-condition Violation 31: no owner 31: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h 31: Failed Expression: dp_mol 31: ---------- 31: Stacktrace: 31: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 2# 0x0000AAAAC5B4A2D8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 3# 0x0000AAAAC5B236B0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 4# 0x0000FFFF954A229C in /lib/aarch64-linux-gnu/libc.so.6 31: 5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 31: 6# 0x0000AAAAC5B23770 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: ---------- 31: **** 31: 31: [02:22:45] 31: 31: **** 31: Pre-condition Violation 31: no owner 31: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h 31: Failed Expression: dp_mol 31: ---------- 31: Stacktrace: 31: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 31: 2# 0x0000AAAAC5B4A6B4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 3# 0x0000AAAAC5B236B0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: 4# 0x0000FFFF954A229C in /lib/aarch64-linux-gnu/libc.so.6 31: 5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 31: 6# 0x0000AAAAC5B23770 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 31: ---------- 31: **** 31: 31: [02:22:45] done 31: [02:22:45] ------------------------------------- 31: [02:22:45] Test github1453: RWMol.clear() should reset the numBonds count. 31: [02:22:45] done 31: [02:22:45] ------------------------------------- 31: [02:22:45] Test range-based for loops. 31: [02:22:45] done 31: [02:22:45] ------------------------------------- 31: [02:22:45] Test github1642: Atom index type is too low for big molecules. 37: [02:22:45] done 26/230 Test #37: graphmoltestPicklerGlobalSetting ....... Passed 0.03 sec test 38 Start 38: graphmolIterTest 38: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolIterTest 38: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 38: Test timeout computed to be: 1500 3: dynamic RDAny:0.231437 s 3: static RDValue:1e-06 s 35: [02:22:45] Conflicting single bond directions around double bond at index 2. 35: [02:22:45] BondStereo set to STEREONONE and single bond directions set to NONE. 35: [02:22:45] Conflicting single bond directions around double bond at index 4. 35: [02:22:45] BondStereo set to STEREONONE and single bond directions set to NONE. 35: [02:22:45] Conflicting single bond directions around double bond at index 15. 35: [02:22:45] BondStereo set to STEREONONE and single bond directions set to NONE. 35: [02:22:45] Conflicting single bond directions around double bond at index 2. 35: [02:22:45] BondStereo set to STEREONONE and single bond directions set to NONE. 35: [02:22:45] Conflicting single bond directions around double bond at index 1. 35: [02:22:45] BondStereo set to STEREONONE and single bond directions set to NONE. 34: 1 1 2 34: 1 1 1 34: 2 1 0.75 34: path: 2 36: [02:22:45] done 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing reading existing pickle file (v2). 27/230 Test #38: graphmolIterTest ....................... Passed 0.04 sec test 39 Start 39: hanoiTest 39: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/hanoiTest 39: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 39: Test timeout computed to be: 1500 39: [02:22:45] Testing the hanoi sort 39: [02:22:45] populating vectors 35: -------------------------------------------------- 3: dynamic RDValue:0.033501 s 28/230 Test #35: graphmoltestChirality .................. Passed 0.14 sec test 40 Start 40: graphmolMemTest1 40: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMemTest1 40: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 40: Test timeout computed to be: 1500 34: [02:22:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored 34: [02:22:45] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored 29/230 Test #40: graphmolMemTest1 ....................... Passed 0.01 sec test 41 Start 41: resMolSupplierTest 41: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/resMolSupplierTest 41: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 41: Test timeout computed to be: 1500 3: deleted! 3: [02:22:45] ------------------------------------- 3: [02:22:45] Testing String Pickle Roundtrips. 3: [02:22:45] done 3: [02:22:45] ------------------------------------- 3: [02:22:45] Testing conversion of vect to string. 3: [02:22:45] done 3: [02:22:45] ------------------------------------- 3: [02:22:45] Testing returning const references. 3: [02:22:45] any cast 3: [02:22:45] done: 0.000773 300000 3: [02:22:45] copy 3: [02:22:45] done: 0.000823 300000 3: [02:22:45] ref 3: [02:22:45] done: 0.000778 300000 3: [02:22:45] dict 36: [02:22:45] done 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing combining molecules using pickles. 36: Atoms: 36: 0 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 36: 1 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 36: 2 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 36: 3 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 36: 4 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 36: 5 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: SP3 36: 6 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3 36: Bonds: 36: 0 0->1 order: 1 36: 1 1->2 order: 1 36: 2 2->0 order: 1 36: 3 3->4 order: 1 36: 4 4->5 order: 1 36: 5 5->6 order: 1 36: 6 6->3 order: 1 36: [02:22:45] done 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing Issue164: Roundtrip Pickle Failure. 34: [02:22:45] Explicit valence for atom # 0 B, 5, is greater than permitted 34: [02:22:45] Explicit valence for atom # 1 C, 5, is greater than permitted 34: [02:22:45] Explicit valence for atom # 1 C, 5, is greater than permitted 34: [02:22:45] Explicit valence for atom # 1 C, 5, is greater than permitted 34: [02:22:45] Explicit valence for atom # 1 Si, 7, is greater than permitted 3: [02:22:45] done: 0.001909 300000 3: [02:22:45] ref with hasVal 3: [02:22:45] done: 0.001239 300000 3: [02:22:45] done 3: [02:22:45] ------------------------------------- 3: [02:22:45] Testing dict update. 3: [02:22:45] done 3: deleted! 3: deleted! 3: deleted! 3: deleted! 3: deleted! 3: deleted! 30/230 Test #3: testDict ............................... Passed 0.80 sec test 42 Start 42: molBundleTest 42: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/molBundleTest 42: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 42: Test timeout computed to be: 1500 36: [02:22:45] done 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing Issue219: Pickle Failure with Conformations. 36: [02:22:45] done 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing Issue220: Pickle problems with bond stereochemistry. 36: [02:22:45] done 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing query serialization. 36: [02:22:45] C=[$(C=O)] 36: [02:22:45] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl] 36: [02:22:45] done 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing radical handling in pickles. 36: [02:22:45] done 36: [02:22:45] done 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing sf.net issue 2788233. 36: [02:22:45] done 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing sf.net issue 3202580. 36: mass! 13.0034 36: [02:22:45] done 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing sf.net issue 3316407. 36: [02:22:45] done 36: [02:22:45] ------------------------------------- 36: [02:22:45] Testing sf.net issue 3496759. 36: smi match: *C *C 36: smi match: **=* **=* 36: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O 36: smi match: *OS(=O)OC *OS(=O)OC 36: smi match: *S(=O)(=O)OC *S(=O)(=O)OC 36: smi match: O=COC=O O=COC=O 36: smi match: OO OO 36: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F 36: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1 36: smi match: nnnOC=O nnnOC=O 36: smi match: *=C=N *=C=N 36: smi match: OS(=O)(=O)C(F)(F)F OS(=O)(=O)C(F)(F)F 36: smi match: SP(S)=S SP(S)=S 36: smi match: NP(N)(N)=O NP(N)(N)=O 36: smi match: cN=[N+]=[N-] cN=[N+]=[N-] 36: smi match: *CC=O *CC=O 36: smi match: NNC=O NNC=O 36: smi match: * * 36: smi match: C=P C=P 36: smi match: CC(=N)Cl CC(=N)Cl 36: smi match: N=O N=O 36: smi match: ** ** 36: smi match: N=C=N N=C=N 36: smi match: [C-]#[NH+] [C-]#[NH+] 36: smi match: O=CON(C=O)C=O O=CON(C=O)C=O 36: smi match: N#CC[OH] N#CC[OH] 36: smi match: N#CC=O N#CC=O 36: smi match: N#CS(=O)=O N#CS(=O)=O 36: smi match: CCOP(=O)(C#N)OCC CCOP(=O)(C#N)OCC 36: smi match: N#CN=N N#CN=N 36: smi match: N=NCC=O N=NCC=O 36: smi match: CCCCCCC CCCCCCC 36: smi match: OCCOCCO OCCOCCO 36: smi match: SS SS 36: smi match: [SH] [SH] 36: smi match: *1CC1 *1CC1 36: smi match: [OH]ccc([OH])c[OH] [OH]ccc([OH])c[OH] 36: smi match: [OH]cc([OH])c[OH] [OH]cc([OH])c[OH] 36: smi match: NC(=S)N=N NC(=S)N=N 36: smi match: N#CS N#CS 36: smi match: cC[N+] cC[N+] 36: smi match: C*C=S C*C=S 36: smi match: N[CH2]C#N N[CH2]C#N 36: smi match: O=C1CCO1 O=C1CCO1 36: smi match: O=P([OH])OP(=O)[OH] O=P([OH])OP(=O)[OH] 36: smi match: O=C1CCN1 O=C1CCN1 36: smi match: O=C1C~CC(=O)C~C1 O=C1C~CC(=O)C~C1 36: smi match: C=CC=CC=CC=C C=CC=CC=CC=C 36: smi match: C1CCC(OC2CCC3CCCCC3C2)OC1 C1CCC(OC2CCC3CCCCC3C2)OC1 36: smi match: O=C1NCC2CCCCC21 O=C1NCC2CCCCC21 36: smi match: O=C1CCCC(=O)N1 O=C1CCCC(=O)N1 36: smi match: C1CCC(C2CCCO2)OC1 C1CCC(C2CCCO2)OC1 36: smi match: [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 36: smi match: C1CC2CCC(O1)O2 C1CC2CCC(O1)O2 36: smi match: cN(=O)~O cN(=O)~O 36: smi match: *[CH2]N1C(=O)CCC1=O *[CH2]N1C(=O)CCC1=O 36: smi match: N~NC=O N~NC=O 36: smi match: *=N~C *=N~C 36: smi match: CO*(=O)=O CO*(=O)=O 36: smi match: * * 36: smi match: * * 36: smi match: *C=C *C=C 36: smi match: N#CS N#CS 36: smi match: *C=S *C=S 36: smi match: *N *N 36: smi match: *C(=C)C=O *C(=C)C=O 36: smi match: *C#C *C#C 36: smi match: N#CCO N#CCO 36: smi match: O=N(=O)CCO O=N(=O)CCO 36: smi match: N=CS N=CS 36: smi match: O=CNC(O)C=O O=CNC(O)C=O 36: smi match: C=C(C=O)C=O C=C(C=O)C=O 36: smi match: N=CC=O N=CC=O 36: smi match: *C(C=O)C=O *C(C=O)C=O 36: smi match: *C(C=O)=C(*)C=O *C(C=O)=C(*)C=O 36: smi match: O=CC=CC=O O=CC=CC=O 36: smi match: O=CN(O)C=O O=CN(O)C=O 36: smi match: O=CN(S)C=O O=CN(S)C=O 36: smi match: O=CNC=O O=CNC=O 36: smi match: O=CNN=O O=CNN=O 36: smi match: O=CNNC=O O=CNNC=O 36: smi match: O=CNOC=O O=CNOC=O 36: smi match: O=CS O=CS 36: smi match: O=CSC=S O=CSC=S 36: smi match: S=CS S=CS 36: smi match: C=O C=O 36: smi match: *C=N *C=N 36: smi match: CCCCCCC CCCCCCC 36: smi match: CN=O CN=O 36: smi match: CS(=O)(=O)O CS(=O)(=O)O 36: smi match: O=C1CCO1 O=C1CCO1 36: smi match: C=C(S)[SH]=O C=C(S)[SH]=O 36: smi match: C=CCO C=CCO 36: smi match: C=CC=N C=CC=N 36: smi match: C=CC=O C=CC=O 36: smi match: C=CC(=O)C=C C=CC(=O)C=C 36: smi match: C=CC=S C=CC=S 36: smi match: C=CC(=S)S C=CC(=S)S 36: smi match: *C=C(*)C=C *C=C(*)C=C 36: smi match: C=CC=N C=CC=N 31/230 Test #42: molBundleTest .......................... Passed 0.04 sec test 43 Start 43: testSGroup 43: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/testSGroup 43: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 43: Test timeout computed to be: 1500 36: smi match: *N(*)C=C *N(*)C=C 36: smi match: C=CN(=O)=O C=CN(=O)=O 36: smi match: C=CN(O)=O C=CN(O)=O 36: smi match: C=CO C=CO 36: smi match: C=COC=O C=COC=O 36: smi match: C=CS C=CS 36: smi match: C=C[SH](=O)=O C=C[SH](=O)=O 36: smi match: C=NCO C=NCO 36: smi match: C=NC=O C=NC=O 36: smi match: C=NN C=NN 36: smi match: C=NN=C C=NN=C 36: smi match: C=NO C=NO 36: smi match: C=NOC=O C=NOC=O 36: smi match: C=N=O C=N=O 36: smi match: N#CS N#CS 36: smi match: *CN=O *CN=O 36: smi match: NCN NCN 36: smi match: ON=CCN=O ON=CCN=O 36: smi match: NC(S)=N[SH](=O)=O NC(S)=N[SH](=O)=O 36: smi match: N=C(N)S N=C(N)S 36: smi match: NC(=O)Oc1ccccc1 NC(=O)Oc1ccccc1 36: smi match: NC=S NC=S 36: smi match: NC(N)=S NC(N)=S 36: smi match: C=CN C=CN 36: smi match: NOC=O NOC=O 36: smi match: C1CN1 C1CN1 36: smi match: O=C1NNNN1 O=C1NNNN1 36: smi match: N=C(N)C(=N)N N=C(N)C(=N)N 36: smi match: N=C(N)O N=C(N)O 36: smi match: N=C(N)C(=N)S N=C(N)C(=N)S 36: smi match: *C=N *C=N 36: smi match: N=CC=O N=CC=O 36: smi match: N=CS N=CS 36: smi match: N=C=N N=C=N 36: smi match: N=C=O N=C=O 36: smi match: N=C=S N=C=S 36: smi match: NOC(=O)O NOC(=O)O 36: smi match: *C(O)=S *C(O)=S 36: smi match: C=CO C=CO 36: smi match: ON=CC=NO ON=CC=NO 36: smi match: *C[SH](=O)=O *C[SH](=O)=O 36: smi match: OS(=O)=O OS(=O)=O 36: smi match: N#CS N#CS 36: smi match: C=C(S)S C=C(S)S 36: smi match: N=C(N)S N=C(N)S 36: smi match: N=C(S)S N=C(S)S 36: smi match: NC(=S)S NC(=S)S 36: smi match: O=CNS O=CNS 36: smi match: S S 36: smi match: [SiH4] [SiH4] 36: smi match: NS NS 36: smi match: NCN NCN 36: smi match: cC(c)(O)O cC(c)(O)O 36: smi match: *C(c)O *C(c)O 36: smi match: C=CS(c)(=O)=O C=CS(c)(=O)=O 36: smi match: cS(=O)(=O)O cS(=O)(=O)O 36: smi match: *c1ccccn1=O *c1ccccn1=O 36: smi match: *c1ccccn1 *c1ccccn1 36: smi match: *c1nccccn1 *c1nccccn1 36: smi match: C1COCOC1 C1COCOC1 36: smi match: C=S C=S 36: smi match: c=S c=S 36: smi match: S=CS S=CS 36: smi match: C=CN(=O)=O C=CN(=O)=O 36: smi match: C=CN(=O)O C=CN(=O)O 36: smi match: N=CC=O N=CC=O 36: smi match: C=CS C=CS 36: smi match: SC(S)(S)S SC(S)(S)S 36: smi match: OS(O)(O)O OS(O)(O)O 36: smi match: O=N(=O)C[SH](=O)=O O=N(=O)C[SH](=O)=O 36: smi match: O=N(O)C[SH](=O)=O O=N(O)C[SH](=O)=O 36: smi match: N#CS N#CS 36: smi match: C=NO C=NO 36: smi match: C=N[SH]=N C=N[SH]=N 36: smi match: O=C(S)S O=C(S)S 36: smi match: N=C(S)S N=C(S)S 36: smi match: N=C(=N)S N=C(=N)S 36: smi match: O=N=O O=N=O 36: smi match: O=NO O=NO 36: smi match: ONO ONO 36: smi match: C1SCS1 C1SCS1 36: smi match: N=C=S N=C=S 36: smi match: N=C=N N=C=N 36: smi match: C1N=N1 C1N=N1 36: smi match: *CS *CS 36: smi match: SC(S)=C(S)S SC(S)=C(S)S 36: smi match: N=CC=NO N=CC=NO 36: smi match: N#CCC#N N#CCC#N 36: smi match: CON=O CON=O 36: smi match: C=CN C=CN 36: smi match: C=N[SH](=O)=O C=N[SH](=O)=O 36: smi match: NN=O NN=O 30: ...... 30: ---------------------------------------------------------------------- 30: Ran 6 tests in 0.010s 30: 30: OK 32/230 Test #2: pyCoordGen ............................. Passed 0.86 sec test 44 Start 44: test-valgrind 44: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/test-valgrind 44: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 44: Test timeout computed to be: 1500 36: smi match: NC(=O)S NC(=O)S 36: smi match: N#CS N#CS 36: smi match: NC(=O)C(N)=O NC(=O)C(N)=O 36: smi match: c=N c=N 36: smi match: C1COCO1 C1COCO1 36: smi match: C=NN[SH](=O)=O C=NN[SH](=O)=O 36: smi match: O=CC=O O=CC=O 36: smi match: O=CNOC=O O=CNOC=O 36: smi match: O=C1C=CC(=O)C=C1 O=C1C=CC(=O)C=C1 36: smi match: ONO ONO 36: smi match: ON(~O)~O ON(~O)~O 36: smi match: OC1COC(O)C1 OC1COC(O)C1 36: smi match: OC1CCOC1O OC1CCOC1O 36: smi match: OC1CCOC(O)C1 OC1CCOC(O)C1 36: smi match: N=[N+]=N N=[N+]=N 36: smi match: N#CN N#CN 36: smi match: C=NN=C C=NN=C 36: smi match: *CCN(C)C *CCN(C)C 36: smi match: CNN CNN 36: smi match: *CC *CC 36: smi match: OCS OCS 36: smi match: C1NO1 C1NO1 36: smi match: COS(C)(=O)=O COS(C)(=O)=O 36: smi match: C1CO1 C1CO1 36: smi match: *c1-c-c-ccN1 *c1-c-c-ccN1 36: smi match: *C(*)=C *C(*)=C 36: smi match: N#[NH+] N#[NH+] 36: smi match: C#NO C#NO 36: smi match: OOO OOO 36: smi match: OO OO 36: smi match: O~Cl(~O)~O O~Cl(~O)~O 36: smi match: O~Cl(~O)(~O)~O O~Cl(~O)(~O)~O 36: smi match: [OH]~C(~O)~O [OH]~C(~O)~O 36: smi match: *N *N 36: smi match: *P *P 36: smi match: *S *S 36: smi match: *C(*)(*)C=C *C(*)(*)C=C 36: smi match: *C(*)(*)C=C *C(*)(*)C=C 36: smi match: *C(*)C=C *C(*)C=C 36: smi match: *CC=C *CC=C 36: smi match: CN=C=O CN=C=O 36: smi match: CN=C=S CN=C=S 36: smi match: *C=O *C=O 36: smi match: N=N N=N 36: smi match: SS SS 36: smi match: O=C1CCNC(=O)O1 O=C1CCNC(=O)O1 36: smi match: CSC(C)=N CSC(C)=N 36: smi match: COC(C)=N COC(C)=N 36: smi match: C=C=C C=C=C 36: smi match: *C(=O)OC=O *C(=O)OC=O 36: smi match: C=CC#N C=CC#N 36: smi match: C=CC=O C=CC=O 36: smi match: CC=CC(C)=O CC=CC(C)=O 36: smi match: CC=CC(=O)OCC CC=CC(=O)OCC 36: smi match: C#CC#N C#CC#N 36: smi match: C#CC=O C#CC=O 36: smi match: C#CC(=O)OCC C#CC(=O)OCC 36: smi match: C#CC=O C#CC=O 36: smi match: *C(=O)C#C *C(=O)C#C 36: smi match: C=CC=O C=CC=O 36: smi match: *C(*)(*)O *C(*)(*)O 36: smi match: COS(O)(=O)=O COS(O)(=O)=O 36: smi match: CS(=O)(=O)[O-] CS(=O)(=O)[O-] 36: smi match: NS(=O)(=O)[O-] NS(=O)(=O)[O-] 36: smi match: *C(*)(*)C=O *C(*)(*)C=O 36: smi match: *C(*)(*)C=O *C(*)(*)C=O 36: smi match: *C(*)C=O *C(*)C=O 36: smi match: *CC=O *CC=O 36: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O 36: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O 36: smi match: *C(*)[SH](=O)=O *C(*)[SH](=O)=O 36: smi match: *C[SH](=O)=O *C[SH](=O)=O 36: smi match: * * 36: smi match: *1CC1 *1CC1 36: smi match: O=COC=O O=COC=O 36: smi match: N=C=O N=C=O 36: smi match: N=C=S N=C=S 36: smi match: O~O O~O 36: smi match: N~[SiH4] N~[SiH4] 36: smi match: *P *P 36: smi match: C=N=N C=N=N 36: smi match: *N#[NH+] *N#[NH+] 36: smi match: *S* *S* 36: smi match: ** ** 36: smi match: *CC* *CC* 36: smi match: *O[SiH3] *O[SiH3] 36: smi match: *OS(*)~O *OS(*)~O 36: smi match: N~N~O N~N~O 36: smi match: *N(~O)(~O)~O *N(~O)(~O)~O 36: smi match: *[N+](=C)[O-] *[N+](=C)[O-] 36: smi match: * * 36: smi match: *C(*)NCN(*)* *C(*)NCN(*)* 36: smi match: *OCC#N *OCC#N 36: smi match: **C=C **C=C 36: smi match: C=C[O-] C=C[O-] 36: smi match: C=CO C=CO 36: smi match: * * 36: smi match: O=CON1C(=O)CCC1=O O=CON1C(=O)CCC1=O 36: smi match: O=COn1ccnc1 O=COn1ccnc1 36: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F 36: smi match: CC(C)(C)S CC(C)(C)S 36: 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 36: smi match: [CH]=O [CH]=O 36: smi match: C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C 36: smi match: SS SS 36: smi match: [SH] [SH] 36: smi match: *C* *C* 36: smi match: * * 36: smi match: C[nH3+] C[nH3+] 36: smi match: cC(=N)[NH2] cC(=N)[NH2] 36: smi match: O=CN[OH] O=CN[OH] 36: smi match: NN NN 36: smi match: * * 36: smi match: *OP(=O)O* *OP(=O)O* 36: smi match: * * 36: smi match: * * 36: smi match: * * 36: smi match: *N=C(*)* *N=C(*)* 36: smi match: *C(*)(*)C=O *C(*)(*)C=O 36: smi match: CSC=O CSC=O 36: smi match: * * 36: smi match: O=CCl O=CCl 36: smi match: *** *** 36: smi match: *C=O *C=O 36: smi match: C[OH] C[OH] 36: smi match: C[OH] C[OH] 36: smi match: C[OH] C[OH] 36: smi match: C[OH] C[OH] 36: smi match: C[CH]=O C[CH]=O 36: smi match: *=* *=* 33/230 Test #44: test-valgrind .......................... Passed 0.03 sec test 45 Start 45: graphmolTestsCatch 45: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 45: Test timeout computed to be: 1500 36: smi match: *C *C 36: smi match: C#C C#C 36: smi match: *[CH]C=C *[CH]C=C 36: smi match: cCC(=O)[OH] cCC(=O)[OH] 36: smi match: *C(*)(*)C(=O)[OH] *C(*)(*)C(=O)[OH] 36: smi match: CC(=O)C(=O)[OH] CC(=O)C(=O)[OH] 36: smi match: C=CC(=O)[OH] C=CC(=O)[OH] 36: smi match: N#CC(=O)[OH] N#CC(=O)[OH] 36: smi match: O=C([OH])CN(~O)~O O=C([OH])CN(~O)~O 36: smi match: *N(*)C*=O *N(*)C*=O 36: smi match: O=*C[OH] O=*C[OH] 36: smi match: *=C*=O *=C*=O 36: smi match: *=CC#N *=CC#N 36: smi match: *C[OH] *C[OH] 36: smi match: ** ** 36: smi match: *C[OH] *C[OH] 36: smi match: *C(*)=O *C(*)=O 36: smi match: * * 36: smi match: *CC(=O)[OH] *CC(=O)[OH] 36: smi match: CC(=O)OC(C)=O CC(=O)OC(C)=O 36: smi match: *c *c 36: smi match: CN(C)c CN(C)c 36: smi match: c c 36: smi match: *c *c 36: smi match: *c *c 36: smi match: **:*cF **:*cF 36: smi match: cB([OH])[OH] cB([OH])[OH] 36: smi match: N~N~N N~N~N 36: smi match: *N=N* *N=N* 36: smi match: *CC[OH] *CC[OH] 36: smi match: *CC[OH] *CC[OH] 36: smi match: *=CCC(=O)[OH] *=CCC(=O)[OH] 36: smi match: O=C([OH])CC[OH] O=C([OH])CC[OH] 36: smi match: *CCC(=O)[OH] *CCC(=O)[OH] 36: smi match: CC(=O)CC(=O)[OH] CC(=O)CC(=O)[OH] 36: smi match: *OC(=O)CC(C)=O *OC(=O)CC(C)=O 36: smi match: *OC(*)=O *OC(*)=O 36: smi match: *C(=O)[OH] *C(=O)[OH] 36: smi match: O=C[OH] O=C[OH] 36: smi match: *OC(=O)O* *OC(=O)O* 36: smi match: * * 36: smi match: *OC(=O)Cl *OC(=O)Cl 28: ...[02:22:46] Molecule does not have explicit Hs. Consider calling AddHs() 36: smi match: *C#N *C#N 36: smi match: NCC(=O)NCC=O NCC(=O)NCC=O 36: smi match: SS SS 36: smi match: * * 36: smi match: *=* *=* 36: smi match: *=* *=* 36: smi match: *=* *=* 36: smi match: *=* *=* 36: smi match: C1CO1 C1CO1 36: smi match: *OC(*)=O *OC(*)=O 36: smi match: * * 36: smi match: *O*[OH] *O*[OH] 36: smi match: COC(C)(C)O COC(C)(C)O 36: smi match: *[OH] *[OH] 36: smi match: ** ** 36: smi match: C=N[NH2] C=N[NH2] 36: smi match: C=NC=O C=NC=O 36: smi match: * * 36: smi match: C#NC C#NC 36: smi match: CN=C=O CN=C=O 36: smi match: CN=C=S CN=C=S 36: smi match: *OC(*)(*)O* *OC(*)(*)O* 36: smi match: *C(*)=O *C(*)=O 36: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C 36: smi match: *~*=O *~*=O 36: smi match: *~*=O *~*=O 36: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH] 36: smi match: * * 36: smi match: *C#N *C#N 36: smi match: *N(=O)~O *N(=O)~O 36: smi match: N N 36: smi match: OC(=O)C(O)=O OC(=O)C(O)=O 36: smi match: C=NO C=NO 36: smi match: O~O O~O 36: smi match: c[OH] c[OH] 36: smi match: O=P(~[OH])~O O=P(~[OH])~O 36: smi match: CO~P(=O)~O CO~P(=O)~O 36: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O 36: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O 36: smi match: O=P(~O)~O O=P(~O)~O 36: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O 36: smi match: C[NH2] C[NH2] 36: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1 36: smi match: * * 36: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 36: smi match: CS(C)~O CS(C)~O 36: smi match: CS(C)(~O)~O CS(C)(~O)~O 36: smi match: CS(N)(~O)~O CS(N)(~O)~O 36: smi match: CS([OH])(~O)~O CS([OH])(~O)~O 36: smi match: COS(C)(~O)~O COS(C)(~O)~O 36: smi match: *S(C)(~O)~O *S(C)(~O)~O 36: smi match: CN(C)C CN(C)C 36: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1 36: smi match: *C(*)=S *C(*)=S 36: smi match: *OC(*)=S *OC(*)=S 36: smi match: * * 36: smi match: C[SH] C[SH] 36: smi match: c[SH] c[SH] 36: smi match: NC(N)=S NC(N)=S 36: smi match: * * 36: smi match: ***** ***** 36: smi match: NC(N)=O NC(N)=O 36: [02:22:46] done 36: [02:22:46] ------------------------------------- 36: [02:22:46] Testing sf.net issue 280. 36: [02:22:46] done 36: [02:22:46] ------------------------------------- 36: [02:22:46] Testing sf.net issue 285. 36: [02:22:46] done 36: [02:22:46] done 36: [02:22:46] done 36: [02:22:46] done 36: [02:22:46] done 36: [02:22:46] done 36: [02:22:46] done 36: [02:22:46] ------------------------------------- 36: [02:22:46] Testing Github2441: Add RDProps interface to Conformers. 36: [02:22:46] done 36: [02:22:46] ------------------------------------- 36: [02:22:46] Testing Issue2510: Pickle Confs as double. 36: [02:22:46] done 36: [02:22:46] ------------------------------------- 36: [02:22:46] Testing Github #2465: Negative atom-map numbers cause depickling to fail. 36: [02:22:46] done 36: [02:22:46] ------------------------------------- 36: [02:22:46] Testing loading pickled mols with conformers 36: [02:22:46] done 36: [02:22:46] ------------------------------------- 36: [02:22:46] Testing conformer reading/writing options 36: [02:22:46] done 36: [02:22:46] ------------------------------------- 36: [02:22:46] Testing property reading options 36: [02:22:46] done 36: [02:22:46] ------------------------------------- 36: [02:22:46] Testing property reading options 36: [02:22:46] done 36: [02:22:46] ------------------------------------- 36: [02:22:46] Testing boost::serialization integration 34/230 Test #30: pyDistGeom ............................. Passed 0.37 sec test 46 Start 46: graphmolOrganometallicsCatch 46: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch 46: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 46: Test timeout computed to be: 1500 45: Randomness seeded to: 2870237286 45: [02:22:46] WARNING: not removing hydrogen atom without neighbors 45: [02:22:46] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 45: [02:22:46] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 45: [02:22:46] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 45: [02:22:46] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 45: [02:22:46] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 45: [02:22:46] Explicit valence for atom # 1 N, 5, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 N, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 N, 5, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 N, 5, is greater than permitted 36: [02:22:46] done 36: [02:22:46] ------------------------------------- 36: [02:22:46] Testing github issue 6036 35/230 Test #36: graphmoltestPickler .................... Passed 0.28 sec test 47 Start 47: graphmolSGroupCatch 47: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolSGroupCatch 47: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 47: Test timeout computed to be: 1500 45: [02:22:46] Explicit valence for atom # 2 O, 3, is greater than permitted 45: [02:22:46] Explicit valence for atom # 2 O, 3, is greater than permitted 45: [02:22:46] non-ring atom 2 marked aromatic 45: [02:22:46] non-ring atom 2 marked aromatic 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 1 2 3 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 1 2 3 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 45: [02:22:46] Explicit valence for atom # 1 O, 3, is greater than permitted 45: [02:22:46] Explicit valence for atom # 4 F, 2, is greater than permitted 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 6 7 8 45: [02:22:46] Explicit valence for atom # 1 C, 5, is greater than permitted 45: [02:22:46] WARNING: not removing hydrogen atom with dummy atom neighbors 45: [02:22:46] WARNING: not removing hydrogen atom with dummy atom neighbors 45: [02:22:46] WARNING: not removing hydrogen atom with wedged bond 45: [02:22:46] WARNING: not removing hydrogen atom without neighbors 45: [02:22:46] WARNING: not removing hydrogen atom without neighbors 45: [02:22:46] WARNING: not removing hydrogen atom without neighbors 45: [02:22:46] WARNING: not removing hydrogen atom without neighbors 45: [02:22:46] Unreasonable formal charge on atom # 0. 34: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1 36/230 Test #43: testSGroup ............................. Passed 0.12 sec test 48 Start 48: graphmolAdjustQueryCatch 48: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch 48: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 48: Test timeout computed to be: 1500 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: no atom 45: Violation occurred on line 181 in file ./Code/GraphMol/ROMol.cpp 45: Failed Expression: at 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608A244 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: no owner 45: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h 45: Failed Expression: dp_mol 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608A2B8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: atom not associated with this molecule 45: Violation occurred on line 182 in file ./Code/GraphMol/ROMol.cpp 45: Failed Expression: &at->getOwningMol() == this 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608A338 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: no atom 45: Violation occurred on line 364 in file ./Code/GraphMol/ROMol.cpp 45: Failed Expression: at 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608A400 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: no owner 45: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h 45: Failed Expression: dp_mol 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608A478 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: atom not associated with this molecule 45: Violation occurred on line 365 in file ./Code/GraphMol/ROMol.cpp 45: Failed Expression: &at->getOwningMol() == this 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608A4FC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: no atom 45: Violation occurred on line 371 in file ./Code/GraphMol/ROMol.cpp 45: Failed Expression: at 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608AC10 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: no owner 45: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h 45: Failed Expression: dp_mol 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608A62C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: atom not associated with this molecule 45: Violation occurred on line 372 in file ./Code/GraphMol/ROMol.cpp 45: Failed Expression: &at->getOwningMol() == this 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608A6B0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: null atom passed in 45: Violation occurred on line 386 in file ./Code/GraphMol/ROMol.cpp 45: Failed Expression: atom_pin 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608ABF4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: cannot take ownership of an atom which already has an owner 45: Violation occurred on line 387 in file ./Code/GraphMol/ROMol.cpp 45: Failed Expression: !takeOwnership || !atom_pin->hasOwningMol() || &atom_pin->getOwningMol() == this 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608A8A0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: cannot take ownership of an bond which already has an owner 45: Violation occurred on line 412 in file ./Code/GraphMol/ROMol.cpp 45: Failed Expression: !takeOwnership || !bond_pin->hasOwningMol() || &bond_pin->getOwningMol() == this 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB608ABD4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 45: [02:22:46] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 45: [02:22:46] WARNING: not removing hydrogen atom without neighbors 45: [02:22:46] Explicit valence for atom # 1 F greater than permitted 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: plain atoms have no Query 45: Violation occurred on line 691 in file ./Code/GraphMol/Atom.cpp 45: Failed Expression: 0 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::Atom::setQuery(Queries::Query*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB603A5EC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: plain atoms have no Query 45: Violation occurred on line 696 in file ./Code/GraphMol/Atom.cpp 45: Failed Expression: 0 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::Atom::expandQuery(Queries::Query*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB603A678 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: plain bonds have no Query 45: Violation occurred on line 207 in file ./Code/GraphMol/Bond.cpp 45: Failed Expression: 0 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::Bond::setQuery(Queries::Query*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB603A23C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] 45: 45: **** 45: Pre-condition Violation 45: plain bonds have no query 45: Violation occurred on line 228 in file ./Code/GraphMol/Bond.cpp 45: Failed Expression: 0 45: ---------- 45: Stacktrace: 45: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 45: 2# RDKit::Bond::expandQuery(Queries::Query*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 45: 3# 0x0000AAAAB603A2C8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 4# 0x0000AAAAB60D624C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 5# 0x0000AAAAB60D6C00 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 6# 0x0000AAAAB60D7034 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 7# 0x0000AAAAB60AA558 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 8# 0x0000AAAAB60AAAA4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 9# 0x0000AAAAB602D470 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: 10# 0x0000FFFF9348229C in /lib/aarch64-linux-gnu/libc.so.6 45: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 45: 12# 0x0000AAAAB602D530 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 45: ---------- 45: **** 45: 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 45: [02:22:46] Unusual charge on atom 0 number of radical electrons set to zero 45: [02:22:46] Unusual charge on atom 0 number of radical electrons set to zero 45: [02:22:46] Unusual charge on atom 0 number of radical electrons set to zero 45: [02:22:46] non-ring atom 0 marked aromatic 45: [02:22:46] non-ring atom 0 marked aromatic 45: [02:22:46] Explicit valence for atom # 1 C, 5, is greater than permitted 45: [02:22:46] Explicit valence for atom # 9 C, 5, is greater than permitted 45: [02:22:46] Explicit valence for atom # 3 N, 4, is greater than permitted 45: [02:22:46] Explicit valence for atom # 15 C, 5, is greater than permitted 45: [02:22:46] Explicit valence for atom # 11 C, 5, is greater than permitted 45: [02:22:46] Explicit valence for atom # 9 C, 5, is greater than permitted 45: [02:22:46] Explicit valence for atom # 9 C, 5, is greater than permitted 45: [02:22:46] Explicit valence for atom # 9 C, 6, is greater than permitted 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 7 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 3 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 3 7 45: [02:22:46] Can't kekulize mol. Unkekulized atoms: 3 7 47: Randomness seeded to: 4174075583 47: =============================================================================== 47: All tests passed (136 assertions in 8 test cases) 47: 39: [02:22:46] sorting (hanoi sort) vectors 45: [02:22:46] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 37/230 Test #47: graphmolSGroupCatch .................... Passed 0.05 sec test 49 Start 49: chiralityTestsCatch 49: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/chiralityTestsCatch 49: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 49: Test timeout computed to be: 1500 34: [02:22:46] non-ring atom 0 marked aromatic 34: [02:22:46] non-ring atom 0 marked aromatic 45: [02:22:46] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 34: [02:22:46] Conflicting single bond directions around double bond at index 17. 34: [02:22:46] BondStereo set to STEREONONE and single bond directions set to NONE. 46: Randomness seeded to: 640888932 46: =============================================================================== 46: All tests passed (62 assertions in 6 test cases) 46: 48: Randomness seeded to: 1162540863 48: =============================================================================== 48: All tests passed (281 assertions in 10 test cases) 48: 38/230 Test #46: graphmolOrganometallicsCatch ........... Passed 0.10 sec 39/230 Test #48: graphmolAdjustQueryCatch ............... Passed 0.07 sec test 50 Start 50: canonTestsCatch 50: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/canonTestsCatch 50: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 50: Test timeout computed to be: 1500 test 51 Start 51: moliteratorTestsCatch 51: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/moliteratorTestsCatch 51: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 51: Test timeout computed to be: 1500 34: starting ring finding 34: done 34: starting ring finding 34: done 34: starting ring finding 34: done 34: 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 34: starting sanitization 34: done 34: starting sanitization 34: done 34: starting ring finding 34: done 34: starting ring finding 34: done 34: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1 45: [02:22:46] Explicit valence for atom # 1 O, 3, is greater than permitted 45: [02:22:46] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 45: [02:22:46] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 45: [02:22:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 45: [02:22:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 49: Randomness seeded to: 3606654300 49: [02:22:46] unable to set wavy bonds for double bonds: 3 45: [02:22:46] Invalid value for molAttachPoint: 4 on atom 1. Not expanding this atttachment point. 45: [02:22:46] Invalid value for _fromAttachPoint: -1 on atom 0. Not collapsing this atom 45: [02:22:46] Invalid value for _fromAttachPoint: 4 on atom 0. Not collapsing this atom 45: [02:22:46] non-ring atom 0 marked aromatic 45: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 45: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 34: [02:22:46] WARNING: not removing hydrogen atom with dummy atom neighbors 34: ------------------------------- 34: [02:22:46] Explicit valence for atom # 0 N, 4, is greater than permitted 51: Randomness seeded to: 3393096659 51: =============================================================================== 51: All tests passed (14 assertions in 4 test cases) 51: 34: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 34: [02:22:46] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 34: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 34: [02:22:46] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 40/230 Test #51: moliteratorTestsCatch .................. Passed 0.03 sec test 52 Start 52: queryTestsCatch 52: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/queryTestsCatch 52: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 52: Test timeout computed to be: 1500 34: [02:22:46] WARNING: not removing hydrogen atom with dummy atom neighbors 45: [02:22:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 49: [02:22:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 49: [02:22:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 49: [02:22:46] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored. 49: [02:22:46] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored. 52: Randomness seeded to: 1913550843 52: =============================================================================== 52: All tests passed (10 assertions in 1 test case) 52: 45: [02:22:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 41/230 Test #52: queryTestsCatch ........................ Passed 0.02 sec test 53 Start 53: molbundleTestsCatch 53: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/molbundleTestsCatch 53: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 53: Test timeout computed to be: 1500 49: [02:22:46] Warning: ambiguous stereochemistry - overlapping neighbors - at atom 2 ignored 49: =============================================================================== 49: All tests passed (2267 assertions in 79 test cases) 49: 42/230 Test #49: chiralityTestsCatch .................... Passed 0.12 sec test 54 Start 54: pickleTestsCatch 54: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/pickleTestsCatch 54: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 54: Test timeout computed to be: 1500 45: [02:22:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 45: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 45: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 53: Randomness seeded to: 1723496723 53: =============================================================================== 53: All tests passed (6 assertions in 1 test case) 53: 43/230 Test #53: molbundleTestsCatch .................... Passed 0.04 sec test 55 Start 55: tableTestsCatch 55: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/tableTestsCatch 55: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 55: Test timeout computed to be: 1500 45: [02:22:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 28: ......[02:22:46] Molecule does not have explicit Hs. Consider calling AddHs() 28: [02:22:46] 28: 28: **** 45: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 45: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 45: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 45: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 54: Randomness seeded to: 2193031197 54: =============================================================================== 54: All tests passed (45 assertions in 4 test cases) 54: 45: [02:22:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 44/230 Test #54: pickleTestsCatch ....................... Passed 0.05 sec test 56 Start 56: molopsTestsCatch 56: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/molopsTestsCatch 56: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol 56: Test timeout computed to be: 1500 55: Randomness seeded to: 4269648223 55: =============================================================================== 55: All tests passed (7 assertions in 2 test cases) 55: 45/230 Test #55: tableTestsCatch ........................ Passed 0.04 sec test 57 Start 57: smiTest1 57: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1 57: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 57: Test timeout computed to be: 1500 56: Randomness seeded to: 1697878986 56: =============================================================================== 56: All tests passed (72 assertions in 4 test cases) 56: 46/230 Test #56: molopsTestsCatch ....................... Passed 0.04 sec test 58 Start 58: smiTest2 58: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2 58: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 58: Test timeout computed to be: 1500 57: [02:22:46] WARNING: not removing hydrogen atom without neighbors 57: [02:22:46] WARNING: not removing hydrogen atom without neighbors 57: [02:22:46] WARNING: not removing hydrogen atom without neighbors 57: [02:22:46] WARNING: not removing hydrogen atom without neighbors 57: [02:22:46] WARNING: not removing hydrogen atom without neighbors 57: [02:22:46] WARNING: not removing hydrogen atom without neighbors 57: [02:22:46] WARNING: not removing hydrogen atom without neighbors 57: [02:22:46] WARNING: not removing hydrogen atom without neighbors 57: [02:22:46] WARNING: not removing hydrogen atom without neighbors 57: [02:22:46] WARNING: not removing hydrogen atom without neighbors 58: [02:22:46] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO' 58: [02:22:46] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O' 58: [02:22:46] SMILES Parse Error: syntax error while parsing: - 58: [02:22:46] SMILES Parse Error: Failed parsing SMILES '-' for input: '-' 58: [02:22:46] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]' 58: [02:22:46] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C' 58: [02:22:46] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O' 58: [02:22:46] SMILES Parse Error: Failed parsing SMILES '*' for input: '*' 58: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO' 58: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O' 58: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-' 58: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]' 58: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C' 58: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O' 58: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*' 47/230 Test #58: smiTest2 ............................... Passed 0.02 sec test 59 Start 59: cxsmilesTest 59: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/cxsmilesTest 59: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 59: Test timeout computed to be: 1500 57: [02:22:46] WARNING: not removing hydrogen atom without neighbors 57: [02:22:46] Invalid chiral specification on atom 0 57: [02:22:46] Invalid chiral specification on atom 0 57: [02:22:46] Invalid chiral specification on atom 0 57: [02:22:46] Invalid chiral specification on atom 0 57: [02:22:46] Invalid chiral specification on atom 0 28: Invariant Violation 28: bad direction in linearSearch 28: Violation occurred on line 240 in file ./Code/Numerics/Optimizer/BFGSOpt.h 28: Failed Expression: status >= 0 28: ---------- 28: Stacktrace: 28: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 28: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 28: 2# ForceFields::ForceField::minimize(unsigned int, std::vector >*, unsigned int, double, double) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitForceField.so.1 28: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/ForceField/rdForceField.so 28: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 28: 5# 0x0000FFFF8C6915C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 28: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 28: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 28: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 28: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 28: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 28: 11# 0x0000FFFF8A174180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 28: 12# 0x0000FFFF8A174118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 28: 13# 0x0000FFFF8A1740A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 28: 14# 0x0000FFFF8A174040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 28: 15# 0x0000FFFF8A173FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 28: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 28: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 28: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 28: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 28: 20# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 28: 21# 0x0000FFFF8C68E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 28: 22# _PyObject_MakeTpCall in /usr/bin/python3 28: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 28: 24# 0x00000000004C3D1C in /usr/bin/python3 28: 25# _PyEval_EvalFrameDefault in /usr/bin/python3 28: 26# _PyObject_Call_Prepend in /usr/bin/python3 28: 27# 0x000000000051FB4C in /usr/bin/python3 28: 28# 0x000000000051B324 in /usr/bin/python3 28: 29# _PyObject_MakeTpCall in /usr/bin/python3 28: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 28: 31# 0x00000000004C3D1C in /usr/bin/python3 28: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 28: 33# _PyObject_Call_Prepend in /usr/bin/python3 28: 34# 0x000000000052608C in /usr/bin/python3 28: 35# _PyObject_MakeTpCall in /usr/bin/python3 28: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 28: 37# 0x00000000004C3D1C in /usr/bin/python3 28: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 28: 39# _PyObject_Call_Prepend in /usr/bin/python3 28: 40# 0x000000000052608C in /usr/bin/python3 28: 41# _PyObject_MakeTpCall in /usr/bin/python3 28: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 28: 43# 0x00000000004C3D1C in /usr/bin/python3 28: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 28: 45# _PyObject_Call_Prepend in /usr/bin/python3 28: 46# 0x000000000052608C in /usr/bin/python3 28: 47# _PyObject_MakeTpCall in /usr/bin/python3 28: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 28: 49# _PyObject_Call_Prepend in /usr/bin/python3 28: 50# 0x000000000051FB4C in /usr/bin/python3 28: 51# 0x000000000051B324 in /usr/bin/python3 28: 52# _PyObject_MakeTpCall in /usr/bin/python3 28: 53# _PyEval_EvalFrameDefault in /usr/bin/python3 28: 54# PyEval_EvalCode in /usr/bin/python3 28: 55# 0x0000000000595200 in /usr/bin/python3 28: 56# 0x00000000006757AC in /usr/bin/python3 28: 57# _PyRun_SimpleFileObject in /usr/bin/python3 28: 58# _PyRun_AnyFileObject in /usr/bin/python3 28: 59# Py_RunMain in /usr/bin/python3 28: 60# Py_BytesMain in /usr/bin/python3 28: 61# 0x0000FFFF8CE7229C in /lib/aarch64-linux-gnu/libc.so.6 28: 62# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 28: 63# _start in /usr/bin/python3 28: ---------- 28: **** 28: 57: [02:22:46] SMILES Parse Error: unclosed ring for input: 'C1.C11.C' 57: [02:22:46] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC' 45: [02:22:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 45: [02:22:46] Explicit valence for atom # 0 Al, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 0 Al, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 Si, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 Si, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 0 P, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 0 P, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 0 P, 7, is greater than permitted 45: [02:22:46] Explicit valence for atom # 0 P, 7, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 As, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 As, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 As, 7, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 As, 7, is greater than permitted 45: [02:22:46] Explicit valence for atom # 0 Sb, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 0 Sb, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 0 Sb, 7, is greater than permitted 45: [02:22:46] Explicit valence for atom # 0 Sb, 7, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 Bi, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 Bi, 6, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 Bi, 8, is greater than permitted 45: [02:22:46] Explicit valence for atom # 1 Bi, 8, is greater than permitted 45: =============================================================================== 45: All tests passed (4464 assertions in 106 test cases) 45: 48/230 Test #45: graphmolTestsCatch ..................... Passed 0.41 sec test 60 Start 60: smaTest1 60: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smaTest1 60: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 60: Test timeout computed to be: 1500 57: --C1CCC2(CC1)CCCCC2CCC1CCCC1 34: [02:22:46] Maximum BFS search size exceeded. 34: This is likely due to a highly symmetric fused ring system. 57: smi: ClC1CCCCC1 57: smi: ClC1CCCCC1 57: smi: ClC1CCCCC1Br 57: smi: c1ccccc1 57: smi: c1ccncc1 57: smi: c1cc[nH]c1 57: smi: c1cc[nH]c1 57: smi: c1cc[pH]c1 57: CbC(aC)aC 57: CaC(bC)aC 57: CbC(bC)aC 57: O.C 57: C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O 57: [02:22:46] SMILES Parse Error: syntax error while parsing: c%()ccccc%() 57: [02:22:46] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()' 57: [02:22:46] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000) 57: [02:22:46] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)' 57: [02:22:46] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111' 28: ... 28: ---------------------------------------------------------------------- 28: Ran 12 tests in 0.595s 28: 28: OK 57: [02:22:46] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1' 57: [02:22:46] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 57: [02:22:46] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 57: [02:22:46] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 57: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 57: [02:22:46] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 57: [02:22:46] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 57: [02:22:46] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 57: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 57: [02:22:46] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 57: [02:22:46] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 57: [02:22:46] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 57: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 57: C=c1s/c2n(c1=O)CCCCCCC\N=2 57: C1=C\C/C=C2C3=C\C/C=C\C=C/C/3C\2\C=C/1 57: [02:22:46] SMILES Parse Error: extra close parentheses while parsing: C) 57: [02:22:46] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)' 49/230 Test #57: smiTest1 ............................... Passed 0.21 sec test 61 Start 61: smiTestCatch 61: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch 61: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 61: Test timeout computed to be: 1500 60: [02:22:46] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC 60: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC' 60: [02:22:46] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON 60: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON' 60: [02:22:46] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 60: [02:22:46] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 50/230 Test #60: smaTest1 ............................... Passed 0.14 sec test 62 Start 62: nontetrahedralCatch 62: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch 62: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 62: Test timeout computed to be: 1500 61: Randomness seeded to: 2890880370 61: [02:22:46] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 61: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 61: [02:22:46] SMARTS Parse Error: unclosed ring for input: 'c1ccccc' 61: [02:22:46] SMARTS Parse Error: unclosed ring for input: 'C1C' 61: [02:22:46] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 61: [02:22:46] SMARTS Parse Error: syntax error while parsing: C)foo 61: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo' 61: [02:22:46] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| 61: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|' 61: [02:22:46] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu' 62: Randomness seeded to: 3320029298 62: [02:22:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 62: [02:22:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 62: [02:22:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 62: [02:22:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 62: [02:22:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 62: [02:22:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 62: [02:22:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 62: [02:22:46] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 62: [02:22:46] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false. 62: =============================================================================== 62: All tests passed (308 assertions in 9 test cases) 62: 51/230 Test #62: nontetrahedralCatch .................... Passed 0.08 sec test 63 Start 63: v2smiTestCatch 63: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/v2smiTestCatch 63: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 63: Test timeout computed to be: 1500 61: [02:22:46] w block attempts to set wedging on bond 0 more than once. 61: [02:22:46] improperly formatted w block 61: [02:22:46] atom 3 is not associated with bond 1(1-2) in w block 63: Randomness seeded to: 1946616711 63: =============================================================================== 63: All tests passed (14 assertions in 2 test cases) 63: 52/230 Test #63: v2smiTestCatch ......................... Passed 0.04 sec test 64 Start 64: testDepictor 64: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/testDepictor 64: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor 64: Test timeout computed to be: 1500 61: [02:22:46] SMARTS Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5' 61: [02:22:46] SMILES Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5' 61: [02:22:46] SMARTS Parse Error: syntax error while parsing: C1C)foo 61: [02:22:46] SMARTS Parse Error: Failed parsing SMARTS 'C1C)foo' for input: 'C1C)foo' 61: [02:22:46] SMILES Parse Error: extra close parentheses while parsing: C1C)foo 61: [02:22:46] SMILES Parse Error: Failed parsing SMILES 'C1C)foo' for input: 'C1C)foo' 61: =============================================================================== 61: All tests passed (1570 assertions in 66 test cases) 61: 53/230 Test #61: smiTestCatch ........................... Passed 0.19 sec test 65 Start 65: depictorCatch 65: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/depictorCatch 65: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor 65: Test timeout computed to be: 1500 54/230 Test #28: pyForceFieldConstraints ................ Passed 1.10 sec test 66 Start 66: pyDepictor 66: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Depictor/Wrap/testDepictor.py" 66: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap 66: Test timeout computed to be: 1500 59: Randomness seeded to: 1240540966 59: Test 59: 59: ShortAtropisomerNoCoords.cxsmi 59: 59: Test 59: 59: ShortAtropisomer.cxsmi 59: 59: Test 59: 59: ShortAtropisomerArom.cxsmi 59: 59: Test 59: 59: AtropManyChirals.cxsmi 59: 59: Test 59: 59: AtropManyChiralsEnhanced.cxsmi 59: 59: Test 59: 59: AtropManyChiralsEnhanced2.cxsmi 59: 59: Test 59: 59: AtropManyChiralsEnhanced3.cxsmi 59: 59: Test 59: 59: AtropManyChiralsEnhanced4.cxsmi 59: 59: Test 59: 59: BMS-986142_3d_chiral.cxsmi 59: 59: Test 59: 59: BMS-986142_3d.cxsmi 59: 59: Test 59: 59: BMS-986142_atrop1.cxsmi 59: 59: Test 59: 59: BMS-986142_atrop2.cxsmi 59: 59: Test 59: 59: BMS-986142_atrop3.cxsmi 59: 59: Test 59: 59: BMS-986142_atrop4.cxsmi 59: 59: Test 59: 59: BMS-986142_atrop5.cxsmi 59: 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: Test 59: 59: BMS-986142_atrop6.cxsmi 59: 59: Test 59: 59: BMS-986142_atropBad1.cxsmi 59: 59: [02:22:46] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 59: [02:22:46] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 59: [02:22:46] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 59: [02:22:46] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 59: [02:22:46] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7 59: Test 59: 59: BMS-986142_atropBad2.cxsmi 59: 59: [02:22:46] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 59: [02:22:46] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 59: [02:22:46] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 59: [02:22:46] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 59: [02:22:46] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7 59: Test 59: 59: JDQ443_3d.cxsmi 59: 59: Test 59: 59: JDQ443_atrop1.cxsmi 59: 59: Test 59: 59: JDQ443_atrop2.cxsmi 59: 59: Test 59: 59: JDQ443_atrop3.cxsmi 59: 59: Test 59: 59: JDQ443_atrop4.cxsmi 59: 59: Test 59: 59: JDQ443_atropBad1.cxsmi 59: 59: [02:22:46] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 59: [02:22:46] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 59: [02:22:46] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 59: [02:22:46] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 59: [02:22:46] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3 34: [02:22:46] Maximum BFS search size exceeded. 34: This is likely due to a highly symmetric fused ring system. 65: Randomness seeded to: 2186079848 65: =============================================================================== 65: All tests passed (577 assertions in 17 test cases) 65: 55/230 Test #65: depictorCatch .......................... Passed 0.22 sec test 67 Start 67: testMrvToMol 67: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol 67: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse 67: Test timeout computed to be: 1500 34: F/C=C/Cl 34: [H]/C(F)=C(/[H])Cl 34: F/C=C/Cl 34: F/C=C/Cl 34: C/C(F)=C(/C)Cl 59: Test 59: 59: RP-6306_atrop1.cxsmi 59: 59: Test 59: 59: RP-6306_atrop2.cxsmi 59: 59: Test 59: 59: RP-6306_atrop3.cxsmi 59: 59: Test 59: 59: RP-6306_atrop4.cxsmi 59: 59: Test 59: 59: RP-6306_atrop5.cxsmi 59: 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:46] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 34: [02:22:47] ----------------------- 34: Testing isRingFused 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 56/230 Test #34: graphmolMolOpsTest ..................... Passed 1.20 sec test 68 Start 68: fileParsersTest1 68: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 68: Test timeout computed to be: 1500 59: Test 59: 59: RP-6306_atrop6.cxsmi 59: 59: Test 59: 59: RP-6306_atropBad1.cxsmi 59: 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5 59: Test 59: 59: RP-6306_atropBad2.cxsmi 59: 59: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 59: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 59: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 59: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 59: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5 64: [02:22:47] Warning: stereochemistry around double bond may be incorrect in depiction. 59: Test 59: 59: RP-6306_3d.cxsmi 59: 59: Test 59: 59: Sotorasib_atrop1.cxsmi 59: 59: Test 59: 59: Sotorasib_atrop2.cxsmi 59: 59: Test 59: 59: Sotorasib_atrop3.cxsmi 59: 59: Test 59: 59: Sotorasib_atrop4.cxsmi 59: 59: Test 59: 59: Sotorasib_atrop5.cxsmi 59: 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 59: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored 59: Test 59: 59: Sotorasib_atropBad1.cxsmi 59: 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 68: *************************************** 68: *************************************** 68: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 68: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14 59: Test 59: 59: Sotorasib_atropBad2.cxsmi 59: 59: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 59: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 59: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 59: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 59: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14 67: Using new chirality perception 67: Test 67: 67: rxnStereoMarkedCrossed.mrv 67: 67: Test 67: 67: NewChiralTest.sdf 67: 67: Test 67: 67: NewChiralTest.sdf 67: 67: Test 67: 67: NewChiralTestNoChiral.sdf 67: 67: Test 67: 67: NewChiralTestNoChiral.sdf 67: 67: Test 67: 67: NewChiralTestAllChiral.sdf 67: 67: Test 67: 67: NewChiralTestAllChiral.sdf 67: 67: Test 67: 67: vendor839.sdf 67: 67: Test 67: 67: ProblemShort.mol 67: 67: [02:22:47] For a MultipleSgroup expansion, the matching orphaned bond was not found 67: The multiple sgroup will be ignored 57/230 Test #64: testDepictor ........................... Passed 0.42 sec test 69 Start 69: testAtropisomers 69: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testAtropisomers 69: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 69: Test timeout computed to be: 1500 68: [02:22:47] bond with order 0 found on line 7. This is not part of the MDL specification. 69: [02:22:47] ---- Running with POSIX locale ----- 59: Test 59: 59: Sotorasib_3d.cxsmi 59: 59: Test 59: 59: ZM374979_atrop1.cxsmi 59: 59: Test 59: 59: ZM374979_atrop2.cxsmi 59: 59: Test 59: 59: ZM374979_atrop3.cxsmi 59: 59: Test 59: 59: ZM374979_atrop4.cxsmi 59: 59: Test 59: 59: ZM374979_atropBad1.cxsmi 59: 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 68: [02:22:47] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7) 68: [02:22:47] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7) 68: [02:22:47] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 68: generating smiles 68: 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 68: converting back 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 68: check isomorphism 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 69: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 69: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 59: Test 59: 59: Mrtx1719_3d.cxsmi 59: 59: Test 59: 59: Mrtx1719_atrop1.cxsmi 59: 59: Test 59: 59: Mrtx1719_atrop2.cxsmi 59: 59: Test 59: 59: Mrtx1719_atrop3.cxsmi 59: 59: Test 59: 59: Mrtx1719_atrop4.cxsmi 59: 59: Test 59: 59: Mrtx1719_atropBad1.cxsmi 59: 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 59: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 69: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 69: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 66: ..............[02:22:47] SMILES Parse Error: syntax error while parsing: invalidsmiles 66: [02:22:47] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles' 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 69: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 69: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 69: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 69: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 66: ..... 66: ---------------------------------------------------------------------- 66: Ran 19 tests in 0.368s 66: 66: OK 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 69: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 58/230 Test #66: pyDepictor ............................. Passed 0.74 sec test 70 Start 70: testSquiggleDoubleBonds 70: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testSquiggleDoubleBonds 70: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 70: Test timeout computed to be: 1500 70: Randomness seeded to: 3250414477 70: =============================================================================== 70: All tests passed (15 assertions in 3 test cases) 70: 59/230 Test #70: testSquiggleDoubleBonds ................ Passed 0.04 sec test 71 Start 71: testMolSupplier 71: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier 71: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 71: Test timeout computed to be: 1500 71: [02:22:47] 71: ----------------------------------------- 71: [02:22:47] 71: 71: **** 71: Invariant Violation 71: bad prop value 71: Violation occurred on line 155 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 71: Failed Expression: nSwaps < 2 71: ---------- 71: Stacktrace: 71: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 71: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 71: 2# 0x0000FFFFA8DB79D8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 71: 3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 71: 4# 0x0000AAAAB4E1E17C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier 71: 5# 0x0000AAAAB4E12528 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier 71: 6# 0x0000AAAAB4DE0874 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier 71: 7# 0x0000FFFFA83C229C in /lib/aarch64-linux-gnu/libc.so.6 71: 8# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 71: 9# 0x0000AAAAB4DE21B0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier 71: ---------- 71: **** 71: 69: Atropisomers- 1 hits 3 misses 69: Final results: 69: Found atropisomers in TestMultInSDF.sdf - 1 hits 4 misses 60/230 Test #69: testAtropisomers ....................... Passed 0.54 sec test 72 Start 72: testGeneralFileReader 72: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader 72: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 72: Test timeout computed to be: 1500 72: [02:22:47] 72: ----------------------------------------- 72: [02:22:47] Finished: testDetermineFormat() 72: [02:22:47] ----------------------------------------- 72: 72: [02:22:47] 72: ----------------------------------------- 67: Test 67: 67: badWedgeError.sdf 67: 67: Test 67: 67: CrossedDoubleBondWithChiralNbr2.sdf 67: 67: Test 67: 67: CrossedDoubleBondWithChiralNbr.sdf 67: 67: Test 67: 67: SimpleWiggleDoubleBond.sdf 67: 67: Test 67: 67: lostStereoAnd.sdf 67: 67: Test 67: 67: DoubleBondChain.sdf 67: 67: Test 67: 67: UnitsError.sdf 67: 67: Test 67: 67: StarAtom.sdf 67: 67: Test 67: 67: nonProprietary.mol 67: 67: Test 67: 67: ChiralTest.sdf 67: 67: Test 67: 67: TestBond1.mol 67: 67: Test 67: 67: Sgroup_MUL_ParentInMiddle.sdf 67: 67: Test 67: 67: BadRxn.rxn 67: 67: Test 67: 67: FalseChiral.mrv 67: 67: Test 67: 67: FalseChiral.mrv 67: 67: Test 67: 67: Cubane.mrv 67: 67: Test 67: 67: NewChiralTest.mrv 67: 67: Test 67: 67: NewChiralTest.mrv 67: 67: Test 67: 67: NewChiralTestNoChiral.mrv 67: 67: Test 67: 67: NewChiralTestNoChiral.mrv 67: 67: Test 67: 67: NewChiralTestAllChiral.mrv 67: 67: Test 67: 67: NewChiralTestAllChiral.mrv 67: 67: Test 67: 67: DataSgroupMissingUnitsDisplayed.mrv 67: 67: Test 67: 67: lostStereoAnd.mrv 67: 67: Test 67: 67: DoubleBondChain.mrv 67: 67: Test 67: 67: WigglyAndCrossed.mrv 67: 67: Test 67: 67: BondTypes.mrv 67: 67: Test 67: 67: EmbeddedSGroupSUP_MUL.mrv 67: 67: Test 67: 67: EmbeddedSgroupCOP_SUP.mrv 67: 67: Test 67: 67: EmbeddedSgroupDAT_SUP.mrv 67: 67: Test 67: 67: EmbeddedSgroupMULTICENTER_SUP.mrv 67: 67: Test 67: 67: EmbeddedSgroupMUL_MUL.mrv 67: 67: Test 67: 67: EmbeddedSgroupMUL_MUL2.mrv 67: 67: Test 67: 67: EmbeddedSgroupMUL_SUP.mrv 67: 67: Test 67: 67: EmbeddedSgroupSRU_SUP.mrv 67: 67: Test 67: 67: EmbeddedSgroupSUPEXP_SUP.mrv 67: 67: Test 67: 67: EmbeddedSgroupSUPEXP_SUP2.mrv 67: 67: Test 67: 67: EmbeddedSgroupSUP_MULTICENTER.mrv 67: 67: Test 67: 67: EmbeddedSgroupSUP_SUP.mrv 67: 67: Test 67: 67: EmbeddedSgroupSUP_SUP2.mrv 67: 67: Test 67: 67: RgroupBad.mrv 67: 67: Test 67: 67: valenceLessThanDrawn.mrv 67: 67: Test 67: 67: data_sgroup_no_fieldname.mrv 67: 67: Test 67: 67: data_sgroup_empty_field_data.mrv 67: 67: Test 67: 67: radical_value.mrv 67: 67: Test 67: 67: emptyOneLineAtomList.mrv 67: 67: Test 67: 67: mrvValence_value.mrv 67: 67: Test 67: 67: ChiralTest2.mrv 67: 67: Test 67: 67: ChiralTest.mrv 67: 67: Test 67: 67: SnCl2.mrv 67: 67: Test 67: 67: SnH2Cl2.mrv 67: 67: Test 67: 67: marvin01.mrv 67: 67: Test 67: 67: marvin02.mrv 67: 67: Test 67: 67: marvin07.mrv 67: 67: Test 67: 67: marvin10.mrv 67: 67: Test 67: 67: marvin06.mrv 67: 67: Test 67: 67: marvin12.mrv 67: 67: Test 67: 67: EmptyMol.mrv 67: 67: Test 67: 67: Sparse.mrv 67: 67: Test 67: 67: Sparse2.mrv 67: 67: Test 67: 67: Sparse3.mrv 67: 67: Test 67: 67: MarvinNoCoords.mrv 67: 67: Test 67: 67: aspirin.mrv 67: 67: Test 67: 67: MarvinStereoGroupsZeros.mrv 67: 67: Test 67: 67: MarvinStereoGroupsAbs.mrv 67: 67: Test 67: 67: triphenylphosphine.mrv 67: 67: Test 67: 67: MarvinOldSuperGroupTest.mrv 67: 67: Test 67: 67: RadicalTests.mrv 67: 67: Test 67: 67: AnyBond.mrv 67: 67: Test 67: 67: cisBenzene.mrv 67: 67: Test 67: 67: DativeBond.mrv 67: 67: Test 67: 67: MultipleSgroup.mrv 67: 67: Test 67: 67: SgroupExpanded.mrv 67: 67: Test 67: 67: SgroupMultAttach.mrv 67: 67: Test 67: 67: MarvinMissingX2.mrv 67: 67: Test 67: 67: MarvinMissingY2.mrv 67: 67: Test 67: 67: DataSgroup.mrv 67: 67: Test 67: 67: MulticenterSgroup.mrv 67: 67: [02:22:47] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 67: [02:22:47] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 72: [02:22:47] Finished: testSdf() 72: [02:22:47] ----------------------------------------- 72: 72: [02:22:47] 72: ----------------------------------------- 67: Test 67: 67: GenericSgroup.mrv 67: 67: Test 67: 67: MonomerSgroup.mrv 67: 67: Test 67: 67: modification_sgroup.mrv 67: 67: Test 67: 67: copolymer_sgroup.mrv 67: 67: Test 67: 67: MultipleSgroupParentInMiddleOfAtomBlock.mrv 67: 67: Test 67: 67: EmbeddedSgroups.mrv 67: 67: Test 67: 67: marvin03.mrv 67: 67: Test 67: 67: MarvinBadMissingMolID.mrv 67: 67: [02:22:47] 67: 67: **** 67: Test Assert 67: Expression Failed: 67: Violation occurred on line 329 in file ./Code/GraphMol/MarvinParse/testMrvToMol.cpp 67: Failed Expression: GetExpectedValue(expectedMrvName) == outMolStr 67: ---------- 67: Stacktrace: 67: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 67: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 67: 2# 0x0000AAAAE3C4A99C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol 67: 3# 0x0000AAAAE3C55A20 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol 67: 4# 0x0000AAAAE3C44658 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol 67: 5# 0x0000FFFFB65D229C in /lib/aarch64-linux-gnu/libc.so.6 67: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 67: 7# 0x0000AAAAE3C448B0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol 67: ---------- 67: **** 67: 67: Test 67: 67: MarvinBadMissingAtomID.mrv 67: 67: Expected id, elementType for an atom definition in MRV file 67: Test 67: 67: MarvinBadX2.mrv 67: 67: The values x2 and y2 must be large floats in MRV file 67: Test 67: 67: MarvinBadY2.mrv 67: 67: The values x2 and y2 must be large floats in MRV file 67: Test 67: 67: MarvinBadStereoGroupsAbs.mrv 67: 67: Unrecognized group definition 67: Test 67: 67: MarvinBadElementType.mrv 67: 67: Test 67: 67: MarvinBadMissingBondID.mrv 67: 67: Test 67: 67: MarvinBadMissingBondAtomRefs 67: 67: Test 67: 67: MarvinBadMissingBondOrder.mrv 67: 67: bond must have one of: order, queryType, or convention in MRV File 67: Test 67: 67: MarvinBadMissingSruMolID.mrv 67: 67: Expected a molID in MRV file 67: Test 67: 67: MarvinBadMissingSruID.mrv 67: 67: Test 67: 67: MarvinBadMissingSruRole.mrv 67: 67: Test 67: 67: MarvinBadMissingSruAtomRef.mrv 67: 67: Test 67: 67: MarvinBadMissingSruTitle.mrv 67: 67: Test 67: 67: MarvinBadSruAtomRef.mrv 67: 67: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 67: Test 67: 67: MarvinBadSruID.mrv 67: 67: Test 67: 67: MarvinBadSruRole.mrv 67: 67: Test 67: 67: MarvinBadSruAtomRef.mrv 67: 67: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 67: Test 67: 67: MarvinBadSruAtomRef.mrv 67: 67: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 67: Test 67: 67: MarvinBadSruConnect.mrv 67: 67: Expected a connect string of "hh, ht, eu" for a SruSgroup definition in MRV file 67: Test 67: 67: MarvinBadSupAttachAtom.mrv 67: 67: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 67: Test 67: 67: MarvinBadSupAttachBond.mrv 67: 67: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file 67: Test 67: 67: MarvinBadSupAttachOrder.mrv 67: 67: Order for an AttachmentPoint definition must be an integer in MRV file 72: [02:22:47] Finished: testSmi() 72: [02:22:47] ----------------------------------------- 72: 72: [02:22:47] 72: ----------------------------------------- 67: Test 67: 67: MarvinBadSupAttachAtom.mrv 67: 67: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 67: Test 67: 67: MarvinBadSupAttachAtom.mrv 67: 67: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 67: Test 67: 67: MarvinBadSupAttachAtom.mrv 67: 67: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 67: Test 67: 67: MarvinBadSupMissingAttachBond.mrv 67: 67: No attachment point found for bond to the condensed atom in a superatomSgroup 67: Test 67: 67: MarvinBadSupMissingAttachOrder.mrv 67: 67: Expected atom, order and bond, for an AttachmentPoint definition in MRV file 71: [02:22:47] Finished: testMolSup() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testRandMolSup() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 27: Checking against /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 71: [02:22:47] Finished: testSmilesSup() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] ------------------------------------------------------ 71: [02:22:47] SMILES Parse Error: syntax error while parsing: fail 71: [02:22:47] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail' 71: [02:22:47] ERROR: Smiles parse error on line 3 71: [02:22:47] ERROR: Cannot create molecule from : 'fail' 71: [02:22:47] ------------------------------------------------------ 71: [02:22:47] ------------------------------------------------------ 71: [02:22:47] >>> This may result in an infinite loop. It should finish almost immediately: 71: [02:22:47] <<< done. 71: [02:22:47] Finished: testSmilesSupFromText() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testSmilesWriter() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testSDWriter() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testSDSupplierEnding() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 72: [02:22:47] Finished: testMae() 72: [02:22:47] ----------------------------------------- 72: 72: [02:22:47] 72: ----------------------------------------- 71: [02:22:47] Finished: testSuppliersEmptyFile() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testCisTrans() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 72: [02:22:47] Finished: testTdt() 72: [02:22:47] ----------------------------------------- 72: 61/230 Test #72: testGeneralFileReader .................. Passed 0.17 sec test 73 Start 73: testMultithreadedMolSupplier 73: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier 73: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 73: Test timeout computed to be: 1500 71: [02:22:47] Finished: testStereoRound() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 71: [02:22:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 71: [02:22:47] Finished: testIssue226() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testTDTSupplier1() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testTDTSupplier2() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testTDTSupplier3() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testSDSupplierFromText() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] ERROR: Problems encountered parsing data fields 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] ERROR: Problems encountered parsing data fields 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] Spurious data before the first property will be ignored 71: [02:22:47] Property will be truncated after the first blank line 71: [02:22:47] Property will be truncated after the first blank line 71: [02:22:47] Property will be truncated after the first blank line 71: [02:22:47] Finished: testSDSupplierStrLax1() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] ERROR: Problems encountered parsing data fields 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] Property will be truncated after the first blank line 71: [02:22:47] Finished: testSDSupplierStrLax2() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] ERROR: Problems encountered parsing data fields 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] ERROR: Problems encountered parsing data fields 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] Spurious data before the first property will be ignored 71: [02:22:47] Property will be truncated after the first blank line 71: [02:22:47] Property will be truncated after the first blank line 71: [02:22:47] Property will be truncated after the first blank line 71: [02:22:47] Finished: testSDSupplierFromTextStrLax1() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] ERROR: Problems encountered parsing data fields 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] Property will be truncated after the first blank line 71: [02:22:47] Finished: testSDSupplierFromTextStrLax2() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testIssue265() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] ERROR: End of data field name not found 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] Explicit valence for atom # 0 F, 2, is greater than permitted 71: [02:22:47] ERROR: Could not sanitize molecule ending on line 16 71: [02:22:47] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 71: [02:22:47] ERROR: Atom line too short: ' 1 2 1 0 0 0 0' on line 12 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] ERROR: Bond line too short: 'M END' on line 18 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] Finished: testSDErrorHandling() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testIssue381() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testSetStreamIndices() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testMixIterAndRandom() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: build: 71: [02:22:47] Finished: testRemoveHs() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 73: [02:22:47] 73: ----------------------------------------- 71: [02:22:47] Finished: testGetItemText() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testForwardSDSupplier() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testMissingCRSDSupplier() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testIssue3482695() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 67: Test 67: 67: marvin03.mrv 67: 67: Test 67: 67: Cubane.mrv 67: 67: Test 67: 67: FalseAtropisomer.mrv 67: 67: Test 67: 67: AtropEnhancedStereo.mrv 67: 67: Test 67: 67: AtropManyChirals.mrv 67: 67: Test 67: 67: AtropManyChiralsEnhanced.mrv 67: 67: Test 67: 67: AtropManyChiralsEnhanced2.mrv 67: 67: Test 67: 67: AtropManyChiralsEnhanced3.mrv 67: 67: Test 67: 67: AtropManyChiralsEnhanced4.mrv 67: 67: Test 67: 67: BMS-986142_3d_chiral.mrv 67: 67: Test 67: 67: BMS-986142_3d.mrv 67: 67: Test 67: 67: BMS-986142_atrop1.mrv 67: 67: Test 67: 67: BMS-986142_atrop2.mrv 67: 67: Test 67: 67: BMS-986142_atrop3.mrv 67: 67: Test 67: 67: BMS-986142_atrop4.mrv 67: 67: Test 67: 67: BMS-986142_atrop5.mrv 67: 67: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 67: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 71: [02:22:47] ERROR: Cannot convert 'foo' to unsigned int on line 557 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] Finished: testIssue3525673() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testBlankLinesInProps() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testSkipLines() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testGitHub23() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] Finished: testGitHub88() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 27: All 191 tests passed 67: Test 67: 67: BMS-986142_atrop6.mrv 67: 67: Test 67: 67: BMS-986142_atrop7.mrv 67: 67: Test 67: 67: BMS-986142_atrop8.mrv 67: 67: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 67: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 67: Test 67: 67: BMS-986142_atropBad2.mrv 67: 67: [02:22:47] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 71: [02:22:47] Finished: testGitHub2285() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 71: [02:22:47] ERROR: Smiles parse error on line 1 71: [02:22:47] ERROR: Cannot create molecule from : 'c1ccccc' 71: [02:22:47] SMILES Parse Error: extra open parentheses for input: 'C(C' 71: [02:22:47] ERROR: Smiles parse error on line 3 71: [02:22:47] ERROR: Cannot create molecule from : 'C(C' 71: [02:22:47] Explicit valence for atom # 1 C, 5, is greater than permitted 71: [02:22:47] ERROR: Could not sanitize molecule on line 5 71: [02:22:47] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted 71: [02:22:47] Explicit valence for atom # 1 F, 2, is greater than permitted 71: [02:22:47] ERROR: Could not sanitize molecule ending on line 21 71: [02:22:47] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 71: [02:22:47] Explicit valence for atom # 1 F, 2, is greater than permitted 71: [02:22:47] ERROR: Could not sanitize molecule ending on line 21 71: [02:22:47] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 71: [02:22:47] Explicit valence for atom # 1 F, 2, is greater than permitted 71: [02:22:47] ERROR: Could not sanitize molecule ending on line 21 71: [02:22:47] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 71: [02:22:47] ERROR: Atom line too short: ' -9.6' on line 28 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] Explicit valence for atom # 1 F, 2, is greater than permitted 71: [02:22:47] ERROR: Could not sanitize molecule ending on line 21 71: [02:22:47] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 71: [02:22:47] ERROR: Atom line too short: ' -9.6' on line 28 71: [02:22:47] ERROR: moving to the beginning of the next molecule 71: [02:22:47] Finished: testGitHub2479() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 71: [02:22:47] 71: 71: **** 71: Invariant Violation 71: bad chiral bond 71: Violation occurred on line 161 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 71: Failed Expression: bnd 71: ---------- 71: Stacktrace: 71: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 71: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 71: 2# 0x0000FFFFA8DB7F04 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 71: 3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 71: 4# 0x0000AAAAB4DE3120 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier 71: 5# 0x0000AAAAB4DE1EF4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier 71: 6# 0x0000FFFFA83C229C in /lib/aarch64-linux-gnu/libc.so.6 71: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 71: 8# 0x0000AAAAB4DE21B0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier 71: ---------- 71: **** 71: 71: [02:22:47] Finished: testGitHub2881() 71: [02:22:47] ----------------------------------------- 71: 71: [02:22:47] ----------------------------------------- 68: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 68: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 68: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 68: [02:22:47] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 71: [02:22:47] Finished: testGitHub3517() 71: [02:22:47] ----------------------------------------- 71: 62/230 Test #71: testMolSupplier ........................ Passed 0.40 sec test 74 Start 74: testMolWriter 74: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter 74: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 74: Test timeout computed to be: 1500 68: [02:22:47] deprecated group abbreviation ignored on line 24 68: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*] 68: [02:22:47] 68: 68: **** 68: Post-condition Violation 68: Element 'Mv' not found 68: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 68: Failed Expression: anum > -1 68: ---------- 68: Stacktrace: 68: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 68: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 68: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 3# 0x0000FFFF805A7CC4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 4# 0x0000FFFF805B58A0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 5# 0x0000FFFF805B67CC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 9# 0x0000AAAAC6F2F15C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 10# 0x0000AAAAC6FA4464 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 11# 0x0000AAAAC6F15578 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 12# 0x0000FFFF7FC8229C in /lib/aarch64-linux-gnu/libc.so.6 68: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 68: 14# 0x0000AAAAC6F157B0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: ---------- 68: **** 68: 67: Test 67: 67: JDQ443_3d.mrv 67: 67: Test 67: 67: JDQ443_atrop1.mrv 67: 67: Test 67: 67: JDQ443_atrop2.mrv 67: 67: Test 67: 67: JDQ443_atrop3.mrv 67: 67: Test 67: 67: JDQ443_atropBad1.mrv 67: 67: [02:22:47] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 67: Test 67: 67: RP-6306_atrop1.mrv 67: 67: Test 67: 67: RP-6306_atrop2.mrv 67: 67: Test 67: 67: RP-6306_atrop3.mrv 67: 67: Test 67: 67: RP-6306_atrop4.mrv 67: 67: Test 67: 67: RP-6306_atrop5.mrv 67: 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 67: Test 67: 67: RP-6306_atropBad1.mrv 67: 67: [02:22:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 67: Test 67: 67: RP-6306_atropBad2.mrv 67: 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 67: [02:22:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 39: [02:22:48] done: 500000 39: [02:22:48] Done 67: Test 67: 67: RP-6306_3d.mrv 67: 67: Test 67: 67: Sotorasib_atrop1.mrv 67: 67: Test 67: 67: Sotorasib_atrop2.mrv 67: 67: Test 67: 67: Sotorasib_atrop3.mrv 67: 67: Test 67: 67: Sotorasib_atrop4.mrv 67: 67: Test 67: 67: Sotorasib_atrop5.mrv 67: 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 67: Test 67: 67: Sotorasib_atropBad1.mrv 67: 67: [02:22:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 67: Test 67: 67: Sotorasib_atropBad2.mrv 67: 67: [02:22:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 67: Test 67: 67: Sotorasib_3d.mrv 67: 67: Test 67: 67: ZM374979_atrop1.mrv 67: 67: Test 67: 67: ZM374979_atrop2.mrv 67: 67: Test 67: 67: ZM374979_atrop3.mrv 67: 67: Test 67: 67: ZM374979_atropBad1.mrv 67: 67: [02:22:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 39: [02:22:48] Testing hanoi with a functor. 39: [02:22:48] Done 39: [02:22:48] Testing basic partition refinement. 39: [02:22:48] Done 39: [02:22:48] Testing partition refinement with neighbors. 39: [02:22:48] Done 39: [02:22:48] testing canonicalization via tie breaking. 39: [02:22:48] Done 39: [02:22:48] testing canonicalization using the wrapper. 68: [02:22:48] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 68: [02:22:48] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 39: [02:22:48] Done 39: [02:22:48] testing some specific ordering problems 67: Test 67: 67: mrtx1719_3d.mrv 67: 67: Test 67: 67: mrtx1719_atrop1.mrv 67: 67: Test 67: 67: mrtx1719_atrop2.mrv 67: 67: Test 67: 67: mrtx1719_atrop3.mrv 67: 67: Test 67: 67: mrtx1719_atropBad1.mrv 67: 67: [02:22:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 39: [02:22:48] Finished 39: [02:22:48] testing chiral invariants. 39: [02:22:48] Finished 39: [02:22:48] testing unique ranks in w.r.t. renumbering. 39: [02:22:48] Finished 39: [02:22:48] testing mol fragments. 39: [02:22:48] Finished 39: [02:22:48] testing protein round-tripping. 59: Test 59: 59: AtropCanon1.cxsmi 59: 59: Test 59: 59: AtropCanon2.cxsmi 59: 59: Test 59: 59: AtropCanon3.cxsmi 59: 59: Test 59: 59: BMS-986142_3d_chiral.cxsmi 59: 59: Test 59: 59: BMS-986142_3d.cxsmi 59: 59: =============================================================================== 59: All tests passed (2445 assertions in 29 test cases) 59: 63/230 Test #59: cxsmilesTest ........................... Passed 1.83 sec test 75 Start 75: testTplParser 75: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testTplParser 75: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 75: Test timeout computed to be: 1500 67: Test 67: 67: FalseAtropisomer.mrv 67: 67: Test 67: 67: AtropEnhancedStereo.mrv 67: 67: Test 67: 67: AtropManyChirals.mrv 67: 67: Test 67: 67: AtropManyChiralsEnhanced.mrv 67: 67: Test 67: 67: AtropManyChiralsEnhanced2.mrv 67: 67: Test 67: 67: AtropManyChiralsEnhanced3.mrv 67: 67: Test 67: 67: AtropManyChiralsEnhanced4.mrv 67: 67: Test 67: 67: BMS-986142_3d_chiral.mrv 67: 67: Test 67: 67: BMS-986142_3d.mrv 67: 67: Test 67: 67: BMS-986142_atrop1.mrv 67: 67: Test 67: 67: BMS-986142_atrop2.mrv 67: 67: Test 67: 67: BMS-986142_atrop3.mrv 67: 67: Test 67: 67: BMS-986142_atrop4.mrv 67: 67: Test 67: 67: BMS-986142_atrop5.mrv 67: 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 27: 27: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf... 64/230 Test #75: testTplParser .......................... Passed 0.04 sec test 76 Start 76: testMol2ToMol 76: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol 76: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 76: Test timeout computed to be: 1500 67: Test 67: 67: BMS-986142_atrop6.mrv 67: 67: Test 67: 67: BMS-986142_atrop7.mrv 67: 67: Test 67: 67: BMS-986142_atrop8.mrv 67: 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 67: Test 67: 67: BMS-986142_atropBad2.mrv 67: 67: [02:22:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29 68: ---------------------------------- 65/230 Test #76: testMol2ToMol .......................... Passed 0.04 sec test 77 Start 77: testSequence 77: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testSequence 77: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 77: Test timeout computed to be: 1500 68: ---------------------------------- 68: [02:22:48] 68: 68: **** 68: Pre-condition Violation 68: rlabel out of range for MDL files 68: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp 68: Failed Expression: rlabel >= 0 && rlabel < 100 68: ---------- 68: Stacktrace: 68: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 68: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 68: 2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 68: 3# 0x0000AAAAC6F3EC20 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 4# 0x0000AAAAC6FA44C4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 5# 0x0000AAAAC6F15578 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 6# 0x0000FFFF7FC8229C in /lib/aarch64-linux-gnu/libc.so.6 68: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 68: 8# 0x0000AAAAC6F157B0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: ---------- 68: **** 68: 68: [02:22:48] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 67: Test 67: 67: JDQ443_3d.mrv 67: 67: Test 67: 67: JDQ443_atrop1.mrv 67: 67: Test 67: 67: JDQ443_atrop2.mrv 67: 67: Test 67: 67: JDQ443_atrop3.mrv 67: 67: Test 67: 67: JDQ443_atropBad1.mrv 67: 67: [02:22:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21 77: Sequence: GREG 77: HELM: PEPTIDE1{G.R.E.G}$$$$ 77: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O 77: PDB: 77: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 77: CONECT 1 2 77: CONECT 2 3 77: CONECT 3 4 4 5 77: CONECT 5 6 77: CONECT 6 7 9 77: CONECT 7 8 8 16 77: CONECT 9 10 77: CONECT 10 11 77: CONECT 11 12 77: CONECT 12 13 77: CONECT 13 14 14 15 77: CONECT 16 17 77: CONECT 17 18 20 77: CONECT 18 19 19 25 77: CONECT 20 21 77: CONECT 21 22 77: CONECT 22 23 23 24 77: CONECT 25 26 77: CONECT 26 27 77: CONECT 27 28 28 29 77: END 77: 77: Sequence: TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN 77: 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}$$$$ 77: 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 77: PDB: 77: ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 2 CA THR A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 3 C THR A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 4 O THR A 1 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 5 CB THR A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 6 OG1 THR A 1 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 7 CG2 THR A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 8 N THR A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 9 CA THR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 10 C THR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 11 O THR A 2 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 12 CB THR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 13 OG1 THR A 2 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 14 CG2 THR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 15 N CYS A 3 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 16 CA CYS A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 17 C CYS A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 18 O CYS A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 19 CB CYS A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 20 SG CYS A 3 0.000 0.000 0.000 1.00 0.00 S 77: ATOM 21 N CYS A 4 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 22 CA CYS A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 23 C CYS A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 24 O CYS A 4 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 25 CB CYS A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 26 SG CYS A 4 0.000 0.000 0.000 1.00 0.00 S 77: ATOM 27 N PRO A 5 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 28 CA PRO A 5 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 29 C PRO A 5 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 30 O PRO A 5 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 31 CB PRO A 5 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 32 CG PRO A 5 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 33 CD PRO A 5 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 34 N SER A 6 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 35 CA SER A 6 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 36 C SER A 6 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 37 O SER A 6 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 38 CB SER A 6 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 39 OG SER A 6 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 40 N ILE A 7 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 41 CA ILE A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 42 C ILE A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 43 O ILE A 7 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 44 CB ILE A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 45 CG1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 46 CG2 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 47 CD1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 48 N VAL A 8 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 49 CA VAL A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 50 C VAL A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 51 O VAL A 8 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 52 CB VAL A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 53 CG1 VAL A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 54 CG2 VAL A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 55 N ALA A 9 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 56 CA ALA A 9 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 57 C ALA A 9 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 58 O ALA A 9 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 59 CB ALA A 9 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 60 N ARG A 10 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 61 CA ARG A 10 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 62 C ARG A 10 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 63 O ARG A 10 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 64 CB ARG A 10 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 65 CG ARG A 10 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 66 CD ARG A 10 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 67 NE ARG A 10 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 68 CZ ARG A 10 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 69 NH1 ARG A 10 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 70 NH2 ARG A 10 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 71 N SER A 11 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 72 CA SER A 11 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 73 C SER A 11 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 74 O SER A 11 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 75 CB SER A 11 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 76 OG SER A 11 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 77 N ASN A 12 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 78 CA ASN A 12 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 79 C ASN A 12 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 80 O ASN A 12 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 81 CB ASN A 12 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 82 CG ASN A 12 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 83 OD1 ASN A 12 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 84 ND2 ASN A 12 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 85 N PHE A 13 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 86 CA PHE A 13 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 87 C PHE A 13 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 88 O PHE A 13 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 89 CB PHE A 13 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 90 CG PHE A 13 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 91 CD1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 92 CD2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 93 CE1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 94 CE2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 95 CZ PHE A 13 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 96 N ASN A 14 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 97 CA ASN A 14 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 98 C ASN A 14 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 99 O ASN A 14 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 100 CB ASN A 14 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 101 CG ASN A 14 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 102 OD1 ASN A 14 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 103 ND2 ASN A 14 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 104 N VAL A 15 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 105 CA VAL A 15 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 106 C VAL A 15 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 107 O VAL A 15 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 108 CB VAL A 15 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 109 CG1 VAL A 15 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 110 CG2 VAL A 15 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 111 N CYS A 16 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 112 CA CYS A 16 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 113 C CYS A 16 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 114 O CYS A 16 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 115 CB CYS A 16 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 116 SG CYS A 16 0.000 0.000 0.000 1.00 0.00 S 77: ATOM 117 N ARG A 17 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 118 CA ARG A 17 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 119 C ARG A 17 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 120 O ARG A 17 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 121 CB ARG A 17 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 122 CG ARG A 17 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 123 CD ARG A 17 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 124 NE ARG A 17 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 125 CZ ARG A 17 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 126 NH1 ARG A 17 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 127 NH2 ARG A 17 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 128 N LEU A 18 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 129 CA LEU A 18 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 130 C LEU A 18 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 131 O LEU A 18 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 132 CB LEU A 18 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 133 CG LEU A 18 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 134 CD1 LEU A 18 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 135 CD2 LEU A 18 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 136 N PRO A 19 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 137 CA PRO A 19 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 138 C PRO A 19 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 139 O PRO A 19 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 140 CB PRO A 19 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 141 CG PRO A 19 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 142 CD PRO A 19 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 143 N GLY A 20 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 144 CA GLY A 20 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 145 C GLY A 20 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 146 O GLY A 20 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 147 N THR A 21 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 148 CA THR A 21 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 149 C THR A 21 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 150 O THR A 21 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 151 CB THR A 21 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 152 OG1 THR A 21 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 153 CG2 THR A 21 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 154 N PRO A 22 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 155 CA PRO A 22 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 156 C PRO A 22 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 157 O PRO A 22 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 158 CB PRO A 22 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 159 CG PRO A 22 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 160 CD PRO A 22 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 161 N GLU A 23 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 162 CA GLU A 23 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 163 C GLU A 23 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 164 O GLU A 23 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 165 CB GLU A 23 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 166 CG GLU A 23 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 167 CD GLU A 23 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 168 OE1 GLU A 23 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 169 OE2 GLU A 23 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 170 N ALA A 24 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 171 CA ALA A 24 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 172 C ALA A 24 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 173 O ALA A 24 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 174 CB ALA A 24 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 175 N ILE A 25 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 176 CA ILE A 25 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 177 C ILE A 25 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 178 O ILE A 25 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 179 CB ILE A 25 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 180 CG1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 181 CG2 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 182 CD1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 183 N CYS A 26 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 184 CA CYS A 26 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 185 C CYS A 26 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 186 O CYS A 26 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 187 CB CYS A 26 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 188 SG CYS A 26 0.000 0.000 0.000 1.00 0.00 S 77: ATOM 189 N ALA A 27 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 190 CA ALA A 27 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 191 C ALA A 27 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 192 O ALA A 27 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 193 CB ALA A 27 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 194 N THR A 28 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 195 CA THR A 28 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 196 C THR A 28 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 197 O THR A 28 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 198 CB THR A 28 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 199 OG1 THR A 28 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 200 CG2 THR A 28 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 201 N TYR A 29 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 202 CA TYR A 29 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 203 C TYR A 29 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 204 O TYR A 29 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 205 CB TYR A 29 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 206 CG TYR A 29 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 207 CD1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 208 CD2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 209 CE1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 210 CE2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 211 CZ TYR A 29 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 212 OH TYR A 29 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 213 N THR A 30 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 214 CA THR A 30 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 215 C THR A 30 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 216 O THR A 30 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 217 CB THR A 30 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 218 OG1 THR A 30 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 219 CG2 THR A 30 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 220 N GLY A 31 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 221 CA GLY A 31 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 222 C GLY A 31 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 223 O GLY A 31 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 224 N CYS A 32 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 225 CA CYS A 32 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 226 C CYS A 32 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 227 O CYS A 32 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 228 CB CYS A 32 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 229 SG CYS A 32 0.000 0.000 0.000 1.00 0.00 S 77: ATOM 230 N ILE A 33 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 231 CA ILE A 33 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 232 C ILE A 33 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 233 O ILE A 33 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 234 CB ILE A 33 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 235 CG1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 236 CG2 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 237 CD1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 238 N ILE A 34 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 239 CA ILE A 34 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 240 C ILE A 34 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 241 O ILE A 34 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 242 CB ILE A 34 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 243 CG1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 244 CG2 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 245 CD1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 246 N ILE A 35 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 247 CA ILE A 35 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 248 C ILE A 35 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 249 O ILE A 35 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 250 CB ILE A 35 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 251 CG1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 252 CG2 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 253 CD1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 254 N PRO A 36 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 255 CA PRO A 36 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 256 C PRO A 36 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 257 O PRO A 36 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 258 CB PRO A 36 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 259 CG PRO A 36 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 260 CD PRO A 36 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 261 N GLY A 37 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 262 CA GLY A 37 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 263 C GLY A 37 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 264 O GLY A 37 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 265 N ALA A 38 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 266 CA ALA A 38 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 267 C ALA A 38 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 268 O ALA A 38 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 269 CB ALA A 38 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 270 N THR A 39 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 271 CA THR A 39 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 272 C THR A 39 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 273 O THR A 39 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 274 CB THR A 39 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 275 OG1 THR A 39 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 276 CG2 THR A 39 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 277 N CYS A 40 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 278 CA CYS A 40 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 279 C CYS A 40 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 280 O CYS A 40 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 281 CB CYS A 40 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 282 SG CYS A 40 0.000 0.000 0.000 1.00 0.00 S 77: ATOM 283 N PRO A 41 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 284 CA PRO A 41 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 285 C PRO A 41 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 286 O PRO A 41 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 287 CB PRO A 41 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 288 CG PRO A 41 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 289 CD PRO A 41 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 290 N GLY A 42 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 291 CA GLY A 42 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 292 C GLY A 42 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 293 O GLY A 42 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 294 N ASP A 43 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 295 CA ASP A 43 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 296 C ASP A 43 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 297 O ASP A 43 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 298 CB ASP A 43 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 299 CG ASP A 43 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 300 OD1 ASP A 43 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 301 OD2 ASP A 43 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 302 N TYR A 44 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 303 CA TYR A 44 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 304 C TYR A 44 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 305 O TYR A 44 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 306 CB TYR A 44 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 307 CG TYR A 44 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 308 CD1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 309 CD2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 310 CE1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 311 CE2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 312 CZ TYR A 44 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 313 OH TYR A 44 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 314 N ALA A 45 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 315 CA ALA A 45 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 316 C ALA A 45 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 317 O ALA A 45 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 318 CB ALA A 45 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 319 N ASN A 46 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 320 CA ASN A 46 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 321 C ASN A 46 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 322 O ASN A 46 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 323 CB ASN A 46 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 324 CG ASN A 46 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 325 OD1 ASN A 46 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 326 ND2 ASN A 46 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 327 OXT ASN A 46 0.000 0.000 0.000 1.00 0.00 O 77: CONECT 1 2 77: CONECT 2 3 5 77: CONECT 3 4 4 8 77: CONECT 5 6 7 77: CONECT 8 9 77: CONECT 9 10 12 77: CONECT 10 11 11 15 77: CONECT 12 13 14 77: CONECT 15 16 77: CONECT 16 17 19 77: CONECT 17 18 18 21 77: CONECT 19 20 77: CONECT 21 22 77: CONECT 22 23 25 77: CONECT 23 24 24 27 77: CONECT 25 26 77: CONECT 27 28 33 77: CONECT 28 29 31 77: CONECT 29 30 30 34 77: CONECT 31 32 77: CONECT 32 33 77: CONECT 34 35 77: CONECT 35 36 38 77: CONECT 36 37 37 40 77: CONECT 38 39 77: CONECT 40 41 77: CONECT 41 42 44 77: CONECT 42 43 43 48 77: CONECT 44 45 46 77: CONECT 46 47 77: CONECT 48 49 77: CONECT 49 50 52 77: CONECT 50 51 51 55 77: CONECT 52 53 54 77: CONECT 55 56 77: CONECT 56 57 59 77: CONECT 57 58 58 60 77: CONECT 60 61 77: CONECT 61 62 64 77: CONECT 62 63 63 71 77: CONECT 64 65 77: CONECT 65 66 77: CONECT 66 67 77: CONECT 67 68 77: CONECT 68 69 69 70 77: CONECT 71 72 77: CONECT 72 73 75 77: CONECT 73 74 74 77 77: CONECT 75 76 77: CONECT 77 78 77: CONECT 78 79 81 77: CONECT 79 80 80 85 77: CONECT 81 82 77: CONECT 82 83 83 84 77: CONECT 85 86 77: CONECT 86 87 89 77: CONECT 87 88 88 96 77: CONECT 89 90 77: CONECT 90 91 91 92 77: CONECT 91 93 77: CONECT 92 94 94 77: CONECT 93 95 95 77: CONECT 94 95 77: CONECT 96 97 77: CONECT 97 98 100 77: CONECT 98 99 99 104 77: CONECT 100 101 77: CONECT 101 102 102 103 77: CONECT 104 105 77: CONECT 105 106 108 77: CONECT 106 107 107 111 77: CONECT 108 109 110 77: CONECT 111 112 77: CONECT 112 113 115 77: CONECT 113 114 114 117 77: CONECT 115 116 77: CONECT 117 118 77: CONECT 118 119 121 77: CONECT 119 120 120 128 77: CONECT 121 122 77: CONECT 122 123 77: CONECT 123 124 77: CONECT 124 125 77: CONECT 125 126 126 127 77: CONECT 128 129 77: CONECT 129 130 132 77: CONECT 130 131 131 136 77: CONECT 132 133 77: CONECT 133 134 135 77: CONECT 136 137 142 77: CONECT 137 138 140 77: CONECT 138 139 139 143 77: CONECT 140 141 77: CONECT 141 142 77: CONECT 143 144 77: CONECT 144 145 77: CONECT 145 146 146 147 77: CONECT 147 148 77: CONECT 148 149 151 77: CONECT 149 150 150 154 77: CONECT 151 152 153 77: CONECT 154 155 160 77: CONECT 155 156 158 77: CONECT 156 157 157 161 77: CONECT 158 159 77: CONECT 159 160 77: CONECT 161 162 77: CONECT 162 163 165 77: CONECT 163 164 164 170 77: CONECT 165 166 77: CONECT 166 167 77: CONECT 167 168 168 169 77: CONECT 170 171 77: CONECT 171 172 174 77: CONECT 172 173 173 175 77: CONECT 175 176 77: CONECT 176 177 179 77: CONECT 177 178 178 183 77: CONECT 179 180 181 77: CONECT 181 182 77: CONECT 183 184 77: CONECT 184 185 187 77: CONECT 185 186 186 189 77: CONECT 187 188 77: CONECT 189 190 77: CONECT 190 191 193 77: CONECT 191 192 192 194 77: CONECT 194 195 77: CONECT 195 196 198 77: CONECT 196 197 197 201 77: CONECT 198 199 200 77: CONECT 201 202 77: CONECT 202 203 205 77: CONECT 203 204 204 213 77: CONECT 205 206 77: CONECT 206 207 207 208 77: CONECT 207 209 77: CONECT 208 210 210 77: CONECT 209 211 211 77: CONECT 210 211 77: CONECT 211 212 77: CONECT 213 214 77: CONECT 214 215 217 77: CONECT 215 216 216 220 77: CONECT 217 218 219 77: CONECT 220 221 77: CONECT 221 222 77: CONECT 222 223 223 224 77: CONECT 224 225 77: CONECT 225 226 228 77: CONECT 226 227 227 230 77: CONECT 228 229 77: CONECT 230 231 77: CONECT 231 232 234 77: CONECT 232 233 233 238 77: CONECT 234 235 236 77: CONECT 236 237 77: CONECT 238 239 77: CONECT 239 240 242 77: CONECT 240 241 241 246 77: CONECT 242 243 244 77: CONECT 244 245 77: CONECT 246 247 77: CONECT 247 248 250 77: CONECT 248 249 249 254 77: CONECT 250 251 252 77: CONECT 252 253 77: CONECT 254 255 260 77: CONECT 255 256 258 77: CONECT 256 257 257 261 77: CONECT 258 259 77: CONECT 259 260 77: CONECT 261 262 77: CONECT 262 263 77: CONECT 263 264 264 265 77: CONECT 265 266 77: CONECT 266 267 269 77: CONECT 267 268 268 270 77: CONECT 270 271 77: CONECT 271 272 274 77: CONECT 272 273 273 277 77: CONECT 274 275 276 77: CONECT 277 278 77: CONECT 278 279 281 77: CONECT 279 280 280 283 77: CONECT 281 282 77: CONECT 283 284 289 77: CONECT 284 285 287 77: CONECT 285 286 286 290 77: CONECT 287 288 77: CONECT 288 289 77: CONECT 290 291 77: CONECT 291 292 77: CONECT 292 293 293 294 77: CONECT 294 295 77: CONECT 295 296 298 77: CONECT 296 297 297 302 77: CONECT 298 299 77: CONECT 299 300 300 301 77: CONECT 302 303 77: CONECT 303 304 306 77: CONECT 304 305 305 314 77: CONECT 306 307 77: CONECT 307 308 308 309 77: CONECT 308 310 77: CONECT 309 311 311 77: CONECT 310 312 312 77: CONECT 311 312 77: CONECT 312 313 77: CONECT 314 315 77: CONECT 315 316 318 77: CONECT 316 317 317 319 77: CONECT 319 320 77: CONECT 320 321 323 77: CONECT 321 322 322 327 77: CONECT 323 324 77: CONECT 324 325 325 326 77: END 77: 77: Sequence: GREG 77: HELM: PEPTIDE1{G.R.E.G}$$$$ 77: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O 77: PDB: 77: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 77: CONECT 1 2 77: CONECT 2 3 77: CONECT 3 4 4 5 77: CONECT 5 6 77: CONECT 6 7 9 77: CONECT 7 8 8 16 77: CONECT 9 10 77: CONECT 10 11 77: CONECT 11 12 77: CONECT 12 13 77: CONECT 13 14 14 15 77: CONECT 16 17 77: CONECT 17 18 20 77: CONECT 18 19 19 25 77: CONECT 20 21 77: CONECT 21 22 77: CONECT 22 23 23 24 77: CONECT 25 26 77: CONECT 26 27 77: CONECT 27 28 28 29 77: END 77: 77: Sequence: CYIQNCPLG 77: HELM: PEPTIDE1{C.Y.I.Q.N.C.P.L.G.[am]}$PEPTIDE1,PEPTIDE1,1:R3-6:R3$$$ 77: 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 77: PDB: 77: ATOM 1 N CYS A 1 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 2 CA CYS A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 3 C CYS A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 4 O CYS A 1 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 5 CB CYS A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 6 SG CYS A 1 0.000 0.000 0.000 1.00 0.00 S 77: ATOM 7 N TYR A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 8 CA TYR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 9 C TYR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 10 O TYR A 2 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 11 CB TYR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 12 CG TYR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 13 CD1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 14 CD2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 15 CE1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 16 CE2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 17 CZ TYR A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 18 OH TYR A 2 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 19 N ILE A 3 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 20 CA ILE A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 21 C ILE A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 22 O ILE A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 23 CB ILE A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 24 CG1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 25 CG2 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 26 CD1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 27 N GLN A 4 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 28 CA GLN A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 29 C GLN A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 30 O GLN A 4 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 31 CB GLN A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 32 CG GLN A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 33 CD GLN A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 34 OE1 GLN A 4 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 35 NE2 GLN A 4 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 36 N ASN A 5 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 37 CA ASN A 5 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 38 C ASN A 5 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 39 O ASN A 5 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 40 CB ASN A 5 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 41 CG ASN A 5 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 42 OD1 ASN A 5 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 43 ND2 ASN A 5 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 44 N CYS A 6 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 45 CA CYS A 6 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 46 C CYS A 6 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 47 O CYS A 6 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 48 CB CYS A 6 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 49 SG CYS A 6 0.000 0.000 0.000 1.00 0.00 S 77: ATOM 50 N PRO A 7 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 51 CA PRO A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 52 C PRO A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 53 O PRO A 7 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 54 CB PRO A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 55 CG PRO A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 56 CD PRO A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 57 N LEU A 8 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 58 CA LEU A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 59 C LEU A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 60 O LEU A 8 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 61 CB LEU A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 62 CG LEU A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 63 CD1 LEU A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 64 CD2 LEU A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 65 N GLY A 9 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 66 CA GLY A 9 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 67 C GLY A 9 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 68 O GLY A 9 0.000 0.000 0.000 1.00 0.00 O 77: HETATM 69 N NH2 A 10 0.000 0.000 0.000 1.00 0.00 N 77: CONECT 1 2 77: CONECT 2 3 5 77: CONECT 3 4 4 7 77: CONECT 5 6 77: CONECT 6 49 77: CONECT 7 8 77: CONECT 8 9 11 77: CONECT 9 10 10 19 77: CONECT 11 12 77: CONECT 12 13 13 14 77: CONECT 13 15 77: CONECT 14 16 16 77: CONECT 15 17 17 77: CONECT 16 17 77: CONECT 17 18 77: CONECT 19 20 77: CONECT 20 21 23 77: CONECT 21 22 22 27 77: CONECT 23 24 25 77: CONECT 25 26 77: CONECT 27 28 77: CONECT 28 29 31 77: CONECT 29 30 30 36 77: CONECT 31 32 77: CONECT 32 33 77: CONECT 33 34 34 35 77: CONECT 36 37 77: CONECT 37 38 40 77: CONECT 38 39 39 44 77: CONECT 40 41 77: CONECT 41 42 42 43 77: CONECT 44 45 77: CONECT 45 46 48 77: CONECT 46 47 47 50 77: CONECT 48 49 77: CONECT 50 51 56 77: CONECT 51 52 54 77: CONECT 52 53 53 57 77: CONECT 54 55 77: CONECT 55 56 77: CONECT 57 58 77: CONECT 58 59 61 77: CONECT 59 60 60 65 77: CONECT 61 62 77: CONECT 62 63 64 77: CONECT 65 66 77: CONECT 66 67 77: CONECT 67 68 68 69 77: END 77: 77: Sequence: LfPVXLfPVX 77: HELM: PEPTIDE1{L.[dF].P.V.[Orn].L.[dF].P.V.[Orn]}$PEPTIDE1,PEPTIDE1,10:R2-1:R1$$$ 77: 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 77: PDB: 77: ATOM 1 N LEU A 1 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 2 CA LEU A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 3 C LEU A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 4 O LEU A 1 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 5 CB LEU A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 6 CG LEU A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 7 CD1 LEU A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 8 CD2 LEU A 1 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 9 N DPN A 2 0.000 0.000 0.000 1.00 0.00 N 77: HETATM 10 CA DPN A 2 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 11 C DPN A 2 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 12 O DPN A 2 0.000 0.000 0.000 1.00 0.00 O 77: HETATM 13 CB DPN A 2 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 14 CG DPN A 2 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 15 CD1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 16 CD2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 17 CE1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 18 CE2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 19 CZ DPN A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 20 N PRO A 3 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 21 CA PRO A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 22 C PRO A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 23 O PRO A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 24 CB PRO A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 25 CG PRO A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 26 CD PRO A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 27 N VAL A 4 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 28 CA VAL A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 29 C VAL A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 30 O VAL A 4 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 31 CB VAL A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 32 CG1 VAL A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 33 CG2 VAL A 4 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 34 N ORN A 5 0.000 0.000 0.000 1.00 0.00 N 77: HETATM 35 CA ORN A 5 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 36 C ORN A 5 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 37 O ORN A 5 0.000 0.000 0.000 1.00 0.00 O 77: HETATM 38 CB ORN A 5 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 39 CG ORN A 5 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 40 CD ORN A 5 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 41 NE ORN A 5 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 42 N LEU A 6 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 43 CA LEU A 6 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 44 C LEU A 6 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 45 O LEU A 6 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 46 CB LEU A 6 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 47 CG LEU A 6 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 48 CD1 LEU A 6 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 49 CD2 LEU A 6 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 50 N DPN A 7 0.000 0.000 0.000 1.00 0.00 N 77: HETATM 51 CA DPN A 7 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 52 C DPN A 7 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 53 O DPN A 7 0.000 0.000 0.000 1.00 0.00 O 77: HETATM 54 CB DPN A 7 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 55 CG DPN A 7 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 56 CD1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 57 CD2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 58 CE1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 59 CE2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 60 CZ DPN A 7 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 61 N PRO A 8 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 62 CA PRO A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 63 C PRO A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 64 O PRO A 8 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 65 CB PRO A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 66 CG PRO A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 67 CD PRO A 8 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 68 N VAL A 9 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 69 CA VAL A 9 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 70 C VAL A 9 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 71 O VAL A 9 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 72 CB VAL A 9 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 73 CG1 VAL A 9 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 74 CG2 VAL A 9 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 75 N ORN A 10 0.000 0.000 0.000 1.00 0.00 N 77: HETATM 76 CA ORN A 10 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 77 C ORN A 10 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 78 O ORN A 10 0.000 0.000 0.000 1.00 0.00 O 77: HETATM 79 CB ORN A 10 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 80 CG ORN A 10 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 81 CD ORN A 10 0.000 0.000 0.000 1.00 0.00 C 77: HETATM 82 NE ORN A 10 0.000 0.000 0.000 1.00 0.00 N 77: CONECT 1 2 77 77: CONECT 2 3 5 77: CONECT 3 4 4 9 77: CONECT 5 6 77: CONECT 6 7 8 77: CONECT 9 10 77: CONECT 10 11 13 77: CONECT 11 12 12 20 77: CONECT 13 14 77: CONECT 14 15 15 16 77: CONECT 15 17 77: CONECT 16 18 18 77: CONECT 17 19 19 77: CONECT 18 19 77: CONECT 20 21 26 77: CONECT 21 22 24 77: CONECT 22 23 23 27 77: CONECT 24 25 77: CONECT 25 26 77: CONECT 27 28 77: CONECT 28 29 31 77: CONECT 29 30 30 34 77: CONECT 31 32 33 77: CONECT 34 35 77: CONECT 35 36 38 77: CONECT 36 37 37 42 77: CONECT 38 39 77: CONECT 39 40 77: CONECT 40 41 77: CONECT 42 43 77: CONECT 43 44 46 77: CONECT 44 45 45 50 77: CONECT 46 47 77: CONECT 47 48 49 77: CONECT 50 51 77: CONECT 51 52 54 77: CONECT 52 53 53 61 77: CONECT 54 55 77: CONECT 55 56 56 57 77: CONECT 56 58 77: CONECT 57 59 59 77: CONECT 58 60 60 77: CONECT 59 60 77: CONECT 61 62 67 77: CONECT 62 63 65 77: CONECT 63 64 64 68 77: CONECT 65 66 77: CONECT 66 67 77: CONECT 68 69 77: CONECT 69 70 72 77: CONECT 70 71 71 75 77: CONECT 72 73 74 77: CONECT 75 76 77: CONECT 76 77 79 77: CONECT 77 78 78 77: CONECT 79 80 77: CONECT 80 81 77: CONECT 81 82 77: END 77: 77: Sequence: GREG 77: HELM: PEPTIDE1{G.R.E.G}$$$$ 77: Smiles: N=C(N)NCCCC(NC(=O)CN)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O 77: PDB: 77: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 23 OD1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 24 OD2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 77: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 77: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 77: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 77: CONECT 1 2 77: CONECT 2 3 77: CONECT 3 4 4 5 77: CONECT 5 6 77: CONECT 6 7 9 77: CONECT 7 8 8 16 77: CONECT 9 10 77: CONECT 10 11 77: CONECT 11 12 77: CONECT 12 13 77: CONECT 13 14 14 15 77: CONECT 16 17 77: CONECT 17 18 20 77: CONECT 18 19 19 25 77: CONECT 20 21 77: CONECT 21 22 77: CONECT 22 23 23 24 77: CONECT 25 26 77: CONECT 26 27 77: CONECT 27 28 28 29 77: END 77: 66/230 Test #77: testSequence ........................... Passed 0.04 sec test 78 Start 78: testExtendedStereoParsing 78: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testExtendedStereoParsing 78: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 78: Test timeout computed to be: 1500 67: Test 67: 67: RP-6306_atrop1.mrv 67: 67: Test 67: 67: RP-6306_atrop2.mrv 67: 67: Test 67: 67: RP-6306_atrop3.mrv 67: 67: Test 67: 67: RP-6306_atrop4.mrv 67: 67: Test 67: 67: RP-6306_atrop5.mrv 67: 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 67: Test 67: 67: RP-6306_atropBad1.mrv 67: 67: [02:22:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8 67: Test 67: 67: RP-6306_atropBad2.mrv 67: 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored 67: [02:22:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8 74: [02:22:48] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 74: 0.40201265 0.40201265 74: -0.13299436 -0.13299436 74: 1.00000017 1.00000017 74: 0.8762226 0.8762226 74: 0.9973909 0.9973909 74: 1.00000003 1.00000003 74: 0.36613799 0.36613799 74: 2.1107185 2.1107185 74: 0.99999982 0.99999982 74: 2.48696157 2.48696157 74: 1.00479935 1.00479935 74: 0.99999999 0.99999999 74: 3.03311841 3.03311841 74: 2.23739955 2.23739955 74: 1.0000001 1.0000001 74: 3.00772337 3.00772337 74: 0.37399294 0.37399294 74: 2.07713325 2.07713325 74: 3.0077234 3.0077234 74: 0.37399312 0.37399312 74: -0.07713336 -0.07713336 74: [02:22:48] bond with order 0 found on line 11. This is not part of the MDL specification. 74: [02:22:48] bond with order 0 found on line 16. This is not part of the MDL specification. 67/230 Test #78: testExtendedStereoParsing .............. Passed 0.05 sec test 79 Start 79: fileParsersCatchTest 79: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 79: Test timeout computed to be: 1500 67: Test 67: 67: RP-6306_3d.mrv 67: 67: Test 67: 67: Sotorasib_atrop1.mrv 67: 67: Test 67: 67: Sotorasib_atrop2.mrv 67: 67: Test 67: 67: Sotorasib_atrop3.mrv 67: 67: Test 67: 67: Sotorasib_atrop4.mrv 67: 67: Test 67: 67: Sotorasib_atrop5.mrv 67: 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 67: [02:22:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 67: Test 67: 67: Sotorasib_atropBad1.mrv 67: 67: [02:22:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20 68/230 Test #74: testMolWriter .......................... Passed 0.45 sec test 80 Start 80: testPropertyLists 80: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testPropertyLists 80: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 80: Test timeout computed to be: 1500 67: Test 67: 67: Sotorasib_atropBad2.mrv 67: 67: [02:22:48] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20 79: Randomness seeded to: 3999208636 79: [02:22:48] SGroup SAP line too short: 'M SAP 1 1 8' on line 29 79: [02:22:48] SGroup SAP line too short: 'M SAP 1 1 8' on line 28 79: [02:22:48] Could not infer missing lvIdx on malformed SAP line for SGroup 1 79: [02:22:48] SGroup 1 is invalid and will be ignored 79: [02:22:48] SGroup SAP line too short: 'M SAP 1 1 8' on line 28 79: [02:22:48] Could not infer missing lvIdx on malformed SAP line for SGroup 1 79: [02:22:48] SGroup 1 is invalid and will be ignored 79: [02:22:48] SGroup SAP line too short: 'M SAP 1 1 8' on line 35 79: [02:22:48] SGroup SAP line too short: 'M SAP 2 1 12' on line 39 79: [02:22:48] SGroup SAP line too short: 'M SAP 1 1 8' on line 34 79: [02:22:48] SGroup SAP line too short: 'M SAP 2 1 12' on line 38 79: [02:22:48] Could not infer missing lvIdx on malformed SAP line for SGroup 1 79: [02:22:48] SGroup 1 is invalid and will be ignored 79: [02:22:48] SGroup SAP line too short: 'M SAP 1 1 8' on line 34 79: [02:22:48] SGroup SAP line too short: 'M SAP 2 1 12' on line 39 79: [02:22:48] Could not infer missing lvIdx on malformed SAP line for SGroup 1 79: [02:22:48] SGroup 1 is invalid and will be ignored 79: [02:22:48] SGroup 3 referenced on line 40 not found. 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: no bonds 79: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp 79: Failed Expression: !d_bonds.empty() 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 4# 0x0000FFFF952CEB68 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# 0x0000AAAAD0927B7C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 8# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 16# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] SGroup 3 referenced on line 40 not found. 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: no bonds 79: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp 79: Failed Expression: !d_bonds.empty() 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 4# 0x0000FFFF952CEB68 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# 0x0000AAAAD0927BFC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 8# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 16# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] no bonds 79: [02:22:48] SGroup 1 is invalid and will be ignored 79: [02:22:48] SGroup line too short: 'M SBV 1 6' on line 42 79: [02:22:48] SGroup 1 is invalid and will be ignored 79: [02:22:48] SGroup line too short: 'M SBL 2 3 9 10' on line 46 79: [02:22:48] SGroup 2 is invalid and will be ignored 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_bondBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# 0x0000FFFF952CEAD0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# 0x0000AAAAD09285A4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 17# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 80: Randomness seeded to: 2630811393 80: =============================================================================== 80: All tests passed (95 assertions in 4 test cases) 80: 69/230 Test #80: testPropertyLists ...................... Passed 0.04 sec test 81 Start 81: XYZFileParserCatchTest 81: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest 81: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 81: Test timeout computed to be: 1500 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_bondBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# 0x0000FFFF952CEAD0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# 0x0000AAAAD0928624 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 17# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] bookmark not found 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bond is not part of the SubstanceGroup 79: Violation occurred on line 200 in file ./Code/GraphMol/SubstanceGroup.cpp 79: Failed Expression: std::find(d_bonds.begin(), d_bonds.end(), bondIdx) != d_bonds.end() 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::SubstanceGroup::getBondType(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# 0x0000FFFF952CEB68 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# 0x0000AAAAD0928624 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 17# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] bond is not part of the SubstanceGroup 79: [02:22:48] SGroup 2 is invalid and will be ignored 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_atomBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# 0x0000FFFF952CEAD0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# 0x0000AAAAD0928914 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 17# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_atomBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# 0x0000FFFF952CEAD0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# 0x0000AAAAD0928994 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 17# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] bookmark not found 79: [02:22:48] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup. 79: [02:22:48] SGroup 2 is invalid and will be ignored 79: [02:22:48] WARNING: final character of V3000 array is not ')' 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_bondBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD0926598 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] WARNING: final character of V3000 array is not ')' 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_bondBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD0926614 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] bookmark not found 79: [02:22:48] SGroup 1 is invalid and will be ignored 79: [02:22:48] WARNING: final character of V3000 array is not ')' 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_atomBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD09268E8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] WARNING: final character of V3000 array is not ')' 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_atomBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD0926964 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] bookmark not found 79: [02:22:48] SGroup 1 is invalid and will be ignored 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_bondBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD0926C38 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_bondBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD0926CB4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] bookmark not found 79: [02:22:48] SGroup 2 is invalid and will be ignored 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_atomBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD0926F88 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: bookmark not found 79: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: (lu != d_atomBookmarks.end()) 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD0927004 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] bookmark not found 79: [02:22:48] SGroup 2 is invalid and will be ignored 67: Test 67: 67: Sotorasib_3d.mrv 67: 67: Test 67: 67: ZM374979_atrop1.mrv 67: 67: Test 67: 67: ZM374979_atrop2.mrv 67: 67: Test 67: 67: ZM374979_atrop3.mrv 67: 67: Test 67: 67: ZM374979_atropBad1.mrv 67: 67: [02:22:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31 79: [02:22:48] Explicit valence for atom # 2 O, 3, is greater than permitted 79: [02:22:48] Explicit valence for atom # 1 O, 3, is greater than permitted 79: [02:22:48] Explicit valence for atom # 1 C, 5, is greater than permitted 81: Randomness seeded to: 1123417659 81: =============================================================================== 81: All tests passed (100 assertions in 2 test cases) 81: 70/230 Test #81: XYZFileParserCatchTest ................. Passed 0.03 sec test 82 Start 82: cdxmlParserCatchTest 82: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest 82: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 82: Test timeout computed to be: 1500 79: [02:22:48] sanitize [02:22:48] UNK: [02:22:48] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 67: Test 67: 67: mrtx1719_3d.mrv 67: 67: Test 67: 67: mrtx1719_atrop1.mrv 67: 67: Test 67: 67: mrtx1719_atrop2.mrv 67: 67: Test 67: 67: mrtx1719_atrop3.mrv 67: 67: Test 67: 67: mrtx1719_atropBad1.mrv 67: 67: [02:22:48] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16 79: [02:22:48] skipping block at line 7: 'BEGIN ATOM' 79: ATOM 1 CHLO CHL 0 0.000 0.000 0.000 1.00 0.00 CL 79: END 79: 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: no stream 79: Violation occurred on line 133 in file ./Code/GraphMol/FileParsers/SDMolSupplier.cpp 79: Failed Expression: dp_inStream 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::v2::FileParsers::SDMolSupplier::next() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 3# 0x0000AAAAD095BB80 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 4# 0x0000AAAAD0918F84 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 5# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 6# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 7# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 8# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 13# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: no stream 79: Violation occurred on line 187 in file ./Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp 79: Failed Expression: dp_inStream 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::v2::FileParsers::ForwardSDMolSupplier::next() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 3# 0x0000AAAAD095BB80 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 4# 0x0000AAAAD09190F4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 5# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 6# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 7# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 8# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 13# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: no stream 79: Violation occurred on line 409 in file ./Code/GraphMol/FileParsers/SmilesMolSupplier.cpp 79: Failed Expression: dp_inStream 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::v2::FileParsers::SmilesMolSupplier::next() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 3# 0x0000AAAAD095BB80 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 4# 0x0000AAAAD0919428 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 5# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 6# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 7# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 8# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 13# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: no stream 79: Violation occurred on line 264 in file ./Code/GraphMol/FileParsers/TDTMolSupplier.cpp 79: Failed Expression: dp_inStream 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::v2::FileParsers::TDTMolSupplier::next() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 3# 0x0000AAAAD095BB80 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 4# 0x0000AAAAD09196C4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 5# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 6# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 7# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 8# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 13# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: no stream 79: Violation occurred on line 577 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 79: Failed Expression: dp_sInStream != nullptr 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 3# 0x0000AAAAD095BB80 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 4# 0x0000AAAAD09198BC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 5# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 6# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 7# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 8# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 13# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] Found a SCD/SED line with missing/empty SDT specification at line 21 79: [02:22:48] Found a SCD/SED line with missing/empty SDT specification at line 20 79: [02:22:48] BEGIN SGROUP line not found on line 14 79: [02:22:48] Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped. 79: [02:22:48] END SGROUP line not found on line 14 79: [02:22:48] END SGROUP line not found on line 14 79: [02:22:48] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring. 79: [02:22:48] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring. 79: [02:22:48] 79: 79: **** 79: Range Error 79: idx 79: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp 79: Failed Expression: 99 < 9 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 79: 3# RDKit::FileParserUtils::finishMolProcessing(RDKit::RWMol*, bool, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 4# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# 0x0000AAAAD095B7F4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 7# 0x0000AAAAD091E910 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 8# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 16# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring. 79: [02:22:48] Multiple ATTCHPT values for atom 2 on line 9 79: [02:22:48] Found a SCD/SED line with missing/empty SDT specification at line 12 79: [02:22:48] SMARTS Parse Error: syntax error while parsing: [#6;R 79: [02:22:48] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R' 79: [02:22:48] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it. 79: [02:22:48] Skipping empty SMARTS value for SMARTSQ. 79: [02:22:48] unrecognized QUERYOP '>' for SMARTSQ. Query ignored. 79: [02:22:48] Found a SCD/SED line with missing/empty SDT specification at line 12 79: [02:22:48] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 79: [02:22:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 79: [02:22:48] WARNING: Skipping property bar because the value includes an illegal blank line 79: [02:22:48] WARNING: Skipping property baz because the value includes an illegal blank line 79: [02:22:48] WARNING: Skipping property bletch 79: nope because the name includes a newline 79: [02:22:48] WARNING: Skipping property bletch 79: nope2 because the name includes a newline 79: [02:22:48] 79: 79: **** 79: Post-condition Violation 79: Element 'QQQ' not found 79: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 79: Failed Expression: anum > -1 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 3# 0x0000FFFF952B7CC4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 4# 0x0000FFFF952C7F18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# 0x0000FFFF952C8B58 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD08F3BD4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 79: Post-condition Violation 79: Element 'QQQ' not found 79: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 79: Failed Expression: anum > -1 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 3# 0x0000FFFF952B7CC4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 4# 0x0000FFFF952C7F18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# 0x0000FFFF952C8B58 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD08F34F8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 79: Post-condition Violation 79: Element 'QQQ' not found 79: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 79: Failed Expression: anum > -1 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 3# 0x0000FFFF952B7CC4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 4# 0x0000FFFF952C58A0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# 0x0000FFFF952C67CC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD08F3B90 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 79: Post-condition Violation 79: Element 'QQQ' not found 79: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 79: Failed Expression: anum > -1 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 3# 0x0000FFFF952B7CC4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 4# 0x0000FFFF952C58A0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 5# 0x0000FFFF952C67CC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 9# 0x0000AAAAD08F38C8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 13# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 14# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 15# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 16# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 18# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] atom 3 has a negative isotope value. line: 15 67: Test 67: 67: AlexRxn.mrv 67: 67: Test 67: 67: BadReactionSign.mrv 67: 67: Test 67: 67: bondArray_node.mrv 67: 67: Test 67: 67: marvin03.mrv 67: 67: Test 67: 67: marvin04.mrv 67: 67: Test 67: 67: marvin08.mrv 67: 67: Test 67: 67: marvin09.mrv 67: 67: Test 67: 67: marvin11.mrv 67: 67: Test 67: 67: marvin05.mrv 67: 67: Test 67: 67: EmptyRxn.mrv 67: 67: [02:22:48] initialization failed 82: Randomness seeded to: 4096848337 82: [02:22:48] Invalid or missing fragment id from CDXML fragment, assigning new one... 82: [02:22:48] Explicit valence for atom # 3 N, 4, is greater than permitted 82: [02:22:48] CDXMLParser: failed sanitizing skipping fragment 32 82: [02:22:48] Bad bond in CDXML skipping fragment 58... 82: [02:22:48] Invalid or missing fragment id from CDXML fragment, assigning new one... 82: [02:22:48] Bad bond in CDXML skipping fragment 58... 79: [02:22:48] 79: 79: **** 79: Invariant Violation 79: bad prop value 79: Violation occurred on line 155 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 79: Failed Expression: nSwaps < 2 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# 0x0000FFFF953879D8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 4# 0x0000AAAAD095BB80 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 5# 0x0000AAAAD092FCA0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 6# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 7# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 8# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 12# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 14# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 79: [02:22:48] 79: 79: **** 79: Pre-condition Violation 79: no input stream 79: Violation occurred on line 544 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 79: Failed Expression: dp_sInStream 79: ---------- 79: Stacktrace: 79: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 79: 2# RDKit::v2::FileParsers::MaeMolSupplier::init() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 3# RDKit::v2::FileParsers::MaeMolSupplier::reset() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 79: 4# 0x0000AAAAD092FFC4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 5# 0x0000AAAAD099C64C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 6# 0x0000AAAAD099D000 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 7# 0x0000AAAAD099D434 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 8# 0x0000AAAAD0970A18 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 9# 0x0000AAAAD0970F64 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 10# 0x0000AAAAD08EB730 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: 11# 0x0000FFFF949A229C in /lib/aarch64-linux-gnu/libc.so.6 79: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 79: 13# 0x0000AAAAD08EB7F0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 79: ---------- 79: **** 79: 67: Test 67: 67: RxnNoCoords.mrv 67: 67: Test 67: 67: mrvValenceZero.mrv 67: 67: Test 67: 67: condition_coordinates_mpoint.mrv 67: 67: Test 67: 67: marvin01.mrv 67: 67: Test 67: 67: aspirineSynthesisWithAttributes.mrv 67: 67: Test 67: 67: marvin01.mrv 67: 67: Test 67: 67: NewChiralTest 67: 67: Test 67: 67: NewChiralTest 67: 67: Test 67: 67: NewChiralTestNoChiral 67: 67: Test 67: 67: NewChiralTestNoChiral 67: 67: Test 67: 67: NewChiralTest2 67: 67: Test 67: 67: NewChiralTest2 67: 67: Test 67: 67: NewChiralTest2AllChiral 67: 67: Test 67: 67: NewChiralTest2AllChiral 67: 67: Test 67: 67: Vendor839 67: 67: Test 67: 67: DoubleBondChain 67: 67: Test 67: 67: Na_Mg_Al_OH 67: 67: Test 67: 67: Pb 67: 67: Test 67: 67: O_Mg_Si 67: 67: Test 67: 67: SquiggleBond 67: 67: Test 67: 67: BigMacrocycle 67: 67: Test 67: 67: Smiles1 67: 71/230 Test #67: testMrvToMol ........................... Passed 1.67 sec test 83 Start 83: molfileStereoCatchTest 83: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest 83: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 83: Test timeout computed to be: 1500 82: [02:22:48] WARNING: not removing hydrogen atom without neighbors 82: [02:22:48] WARNING: not removing hydrogen atom without neighbors 82: [02:22:48] WARNING: not removing hydrogen atom without neighbors 68: [02:22:48] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas 68: [02:22:48] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas' 79: [02:22:48] ERROR: molecules without atoms cannot be exported to Maestro files. 79: [02:22:48] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 79: [02:22:48] ERROR: the mol cannot be kekulized, and will not be written to the output file. 79: [02:22:48] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file. 82: [02:22:48] WARNING: not removing hydrogen atom without neighbors 82: [02:22:48] WARNING: not removing hydrogen atom without neighbors 82: [02:22:48] WARNING: not removing hydrogen atom without neighbors 82: [02:22:48] WARNING: not removing hydrogen atom without neighbors 82: [02:22:48] WARNING: not removing hydrogen atom without neighbors 82: [02:22:48] WARNING: not removing hydrogen atom without neighbors 79: [02:22:48] 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.[02:22:48] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 79: [02:22:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 79: [02:22:48] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 79: [02:22:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 83: Randomness seeded to: 4275538103 83: [02:22:48] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 83: [02:22:48] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 83: [02:22:48] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 83: [02:22:48] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 83: =============================================================================== 83: All tests passed (142 assertions in 6 test cases) 83: 82: [02:22:48] WARNING: not removing hydrogen atom without neighbors 82: [02:22:48] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents reaction fragment 64603 not found in document. 72/230 Test #83: molfileStereoCatchTest ................. Passed 0.04 sec test 84 Start 84: connectTheDotsTest 84: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest 84: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 84: Test timeout computed to be: 1500 84: Randomness seeded to: 1684202947 84: =============================================================================== 84: All tests passed (8 assertions in 1 test case) 84: 82: [02:22:48] Incomplete atom labelling, cannot make bond 82: [02:22:48] Incomplete atom labelling, cannot make bond 73/230 Test #84: connectTheDotsTest ..................... Passed 0.04 sec test 85 Start 85: v2MolSuppliers 85: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/v2MolSuppliers 85: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 85: Test timeout computed to be: 1500 68: [02:22:48] Empty atom list: 'M ALS 1 0 F' on line 8. 82: [02:22:48] Incomplete atom labelling, cannot make bond 39: [02:22:48] Finished 39: [02:22:48] testing stability w.r.t. renumbering. 85: Randomness seeded to: 3170178307 85: =============================================================================== 85: All tests passed (12 assertions in 5 test cases) 85: 74/230 Test #85: v2MolSuppliers ......................... Passed 0.05 sec test 86 Start 86: v2FileParsersCatchTest 86: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/v2FileParsersCatchTest 86: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 86: Test timeout computed to be: 1500 39: [02:22:48] Finished 39: [02:22:48] testing smiles round-tripping. 82: [02:22:48] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas 82: [02:22:48] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas 82: [02:22:48] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast 82: [02:22:48] Failed to parse XML fragment 5 node: b attribute: Order: 5 82: [02:22:48] Invalid or missing fragment id from CDXML fragment, assigning new one... 82: =============================================================================== 82: All tests passed (263 assertions in 7 test cases) 82: 68: de_DE.UTF-8 68: [02:22:48] ------------------------------------- 68: [02:22:48] Test multithreading Locale Switching 75/230 Test #82: cdxmlParserCatchTest ................... Passed 0.31 sec test 87 Start 87: multithreadedSupplierCatchTest 87: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/multithreadedSupplierCatchTest 87: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 87: Test timeout computed to be: 1500 68: [02:22:48] Test multithreading (Done) 68: [02:22:48] ------------------------------------- 86: Randomness seeded to: 1502250663 86: =============================================================================== 86: All tests passed (6 assertions in 1 test case) 86: 76/230 Test #86: v2FileParsersCatchTest ................. Passed 0.05 sec test 88 Start 88: testSubstructMatch 88: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 88: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct 88: Test timeout computed to be: 1500 68: *************************************** 68: *************************************** 68: [02:22:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 68: [02:22:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 88: ----------------- Test 1 88: Done 88: 88: ----------------- Test 2 88: Done 88: 88: ----------------- Test 3 88: Done 88: 88: ----------------- Test 4 88: Done 88: 88: ----------------- Test 5 88: Done 88: 88: ----------------- Test 5 QueryRoot 88: Done 88: 88: ----------------- Test 6 (Issue71 related) 88: Done 88: 88: ----------------- Testing serial numbers on recursive queries 88: Done 88: 88: [02:22:48] ------------------------------------- 88: [02:22:48] Test multithreading 88: reading molecules 68: [02:22:48] bond with order 0 found on line 7. This is not part of the MDL specification. 68: [02:22:48] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7) 68: [02:22:48] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7) 68: [02:22:48] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 68: generating smiles 68: 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 68: converting back 88: hits: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110 88: processing 88: launch :0 88: launch :1 88: launch :2 88: launch :3 68: check isomorphism 39: [02:22:48] Finished 39: [02:22:48] testing github #1567: Non-canonical result from MolFragmentToSmiles() 39: [02:22:48] Finished 77/230 Test #39: hanoiTest .............................. Passed 3.02 sec test 89 Start 89: substructTestCatch 89: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch 89: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct 89: Test timeout computed to be: 1500 88: done 88: hits2: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110 88: processing2 88: launch2 :0 88: launch2 :1 88: launch2 :2 88: launch2 :3 88: done 88: preprocessing 3 88: hits3: 1110100011001000010011100110100011011000010101000100110010101111011100101000001111110000010100100110 88: processing3 88: launch3 :0 88: launch3 :1 88: launch3 :2 88: launch3 :3 88: done 88: [02:22:49] done 88: [02:22:49] ------------------------------------- 88: [02:22:49] Test GitHub issue 15 88: [02:22:49] done 88: [02:22:49] ------------------------------------- 88: [02:22:49] Test GitHub issue 409 88: [02:22:49] done 88: [02:22:49] ------------------------------------- 88: [02:22:49] Test chiral matching 88: [02:22:49] done 88: [02:22:49] ------------------------------------- 88: [02:22:49] Test GitHub issue 688: partially specified chiral substructure queries don't work properly 88: [02:22:49] done 88: [02:22:49] ------------------------------------- 88: [02:22:49] Test dative-bond matching 88: [02:22:49] done 88: [02:22:49] ------------------------------------- 88: [02:22:49] Test cis/trans matching 88: [02:22:49] done 88: [02:22:49] ------------------------------------- 88: [02:22:49] Test cis/trans matching part 2 88: [02:22:49] done 88: [02:22:49] ------------------------------------- 88: [02:22:49] Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS 88: [02:22:49] done 88: [02:22:49] ------------------------------------- 88: [02:22:49] Testing matching E/Z against Cis/Trans stereo bonds 88: [02:22:49] 88: 88: **** 88: Pre-condition Violation 88: matches must not be empty 88: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp 88: Failed Expression: !matches.empty() 88: ---------- 88: Stacktrace: 88: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 88: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 88: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 88: 3# RDKit::getMostSubstitutedCoreMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 88: 4# 0x0000AAAAB1AEBEE4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 88: 5# 0x0000AAAAB1AE9728 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 88: 6# 0x0000FFFFAB5E229C in /lib/aarch64-linux-gnu/libc.so.6 88: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 88: 8# 0x0000AAAAB1AE9930 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 88: ---------- 88: **** 88: 88: [02:22:49] 88: 88: **** 88: Pre-condition Violation 88: matches must not be empty 88: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp 88: Failed Expression: !matches.empty() 88: ---------- 88: Stacktrace: 88: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 88: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 88: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 88: 3# RDKit::sortMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >, std::allocator, std::allocator > > > > const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 88: 4# 0x0000AAAAB1AEC324 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 88: 5# 0x0000AAAAB1AE9728 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 88: 6# 0x0000FFFFAB5E229C in /lib/aarch64-linux-gnu/libc.so.6 88: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 88: 8# 0x0000AAAAB1AE9930 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 88: ---------- 88: **** 88: 88: [02:22:49] ------------------------------------- 88: [02:22:49] Test substructure matching with a pathological case for symmetric SSSR 88: [02:22:49] ------------------------------------- 88: [02:22:49] Test isAtomTerminalRGroupOrQueryHydrogen 78/230 Test #88: testSubstructMatch ..................... Passed 0.31 sec test 90 Start 90: testGenericGroups 90: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups 90: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups 90: Test timeout computed to be: 1500 12: .................. 12: ---------------------------------------------------------------------- 12: Ran 18 tests in 3.694s 12: 12: OK 68: [02:22:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 68: [02:22:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 68: [02:22:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 68: [02:22:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 68: [02:22:49] deprecated group abbreviation ignored on line 24 68: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*] 68: [02:22:49] 68: 68: **** 68: Post-condition Violation 68: Element 'Mv' not found 68: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 68: Failed Expression: anum > -1 68: ---------- 68: Stacktrace: 68: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 68: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 68: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string, std::allocator > const&) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 3# 0x0000FFFF805A7CC4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 4# 0x0000FFFF805B58A0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 5# 0x0000FFFF805B67CC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string, std::allocator > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1 68: 9# 0x0000AAAAC6F2F15C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 10# 0x0000AAAAC6FA4464 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 11# 0x0000AAAAC6F155EC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 12# 0x0000FFFF7FC8229C in /lib/aarch64-linux-gnu/libc.so.6 68: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 68: 14# 0x0000AAAAC6F157B0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: ---------- 68: **** 68: 79/230 Test #12: pyBV ................................... Passed 4.17 sec test 91 Start 91: testReaction 91: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReaction 91: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions 91: Test timeout computed to be: 1500 89: Randomness seeded to: 3368125439 89: =============================================================================== 89: All tests passed (197 assertions in 9 test cases) 89: 80/230 Test #89: substructTestCatch ..................... Passed 0.53 sec test 92 Start 92: testReactionFingerprints 92: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints 92: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions 92: Test timeout computed to be: 1500 91: smi: O=C1CNC(=O)CN1 90: Randomness seeded to: 1892695182 90: =============================================================================== 90: All tests passed (11480 assertions in 38 test cases) 90: 81/230 Test #90: testGenericGroups ...................... Passed 0.36 sec test 93 Start 93: testEnumeration 93: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration 93: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions 93: Test timeout computed to be: 1500 91: 1: O=C1CNC(=O)CN1 91: 2: COOC 91: [02:22:49] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5] 91: [02:22:49] 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]' 91: O=C1CNC(=O)CN1 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] mapped atoms in the reactants were not mapped in the products. 91: unmapped numbers are: 4 92: [02:22:49] ------------------------------------- 92: [02:22:49] Test Reaction StructuralFingerprint 91: [02:22:49] atom 0 in product 0 has multiple charge specifications. 91: mass: 15.0001 91: Oc1ccccn1 91: Oc1ccc[nH]1 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use TopologicalTorsionGenerator 92: [02:22:49] DEPRECATION WARNING: please use TopologicalTorsionGenerator 92: [02:22:49] DEPRECATION WARNING: please use TopologicalTorsionGenerator 92: [02:22:49] DEPRECATION WARNING: please use TopologicalTorsionGenerator 92: [02:22:49] DEPRECATION WARNING: please use TopologicalTorsionGenerator 92: [02:22:49] DEPRECATION WARNING: please use TopologicalTorsionGenerator 92: [02:22:49] ------------------------------------- 92: [02:22:49] Test Reaction DifferenceFingerprint 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use AtomPairGenerator 92: [02:22:49] DEPRECATION WARNING: please use TopologicalTorsionGenerator 92: [02:22:49] DEPRECATION WARNING: please use TopologicalTorsionGenerator 92: [02:22:49] DEPRECATION WARNING: please use TopologicalTorsionGenerator 92: [02:22:49] DEPRECATION WARNING: please use TopologicalTorsionGenerator 91: [02:22:49] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2] 91: [02:22:49] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]' 91: [02:22:49] SMARTS Parse Error: syntax error while parsing: ([C:2] 91: [02:22:49] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]' 91: [02:22:49] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2] 91: [02:22:49] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]' 91: [02:22:49] SMARTS Parse Error: syntax error while parsing: [C:2]) 91: [02:22:49] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])' 91: [02:22:49] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5] 91: [02:22:49] 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]' 91: [02:22:49] reactant 2 has no mapped atoms. 82/230 Test #92: testReactionFingerprints ............... Passed 0.06 sec test 94 Start 94: rxnTestCatch 94: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch 94: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions 94: Test timeout computed to be: 1500 91: [02:22:49] >> Atoms within one molecule have different RXN roles. 91: [02:22:49] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role. 91: [02:22:49] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2] 91: [02:22:49] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]' 91: [02:22:49] SMARTS Parse Error: syntax error while parsing: ([C:2] 91: [02:22:49] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]' 91: [02:22:49] SMARTS Parse Error: syntax error while parsing: [C:1][C:2]) 91: [02:22:49] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])' 91: [02:22:49] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2] 91: [02:22:49] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]' 91: [02:22:49] reactant 0 has no mapped atoms. 91: [02:22:49] reactant 1 has no mapped atoms. 91: [02:22:49] reactant 3 has no mapped atoms. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: [02:22:49] product atom-mapping number 5 found multiple times. 91: [02:22:49] product atom-mapping number 6 found multiple times. 91: [02:22:49] product atom-mapping number 7 found multiple times. 91: [02:22:49] product atom-mapping number 8 found multiple times. 91: [02:22:49] product atom-mapping number 12 found multiple times. 91: [02:22:49] product atom-mapping number 9 found multiple times. 91: [02:22:49] product atom-mapping number 10 found multiple times. 91: [02:22:49] product atom-mapping number 11 found multiple times. 91: [02:22:49] reactant 0 has no mapped atoms. 91: [02:22:49] reactant 1 has no mapped atoms. 91: [02:22:49] reactant 3 has no mapped atoms. 91: [02:22:49] reactant atom-mapping number 19 found multiple times. 91: [02:22:49] reactant atom-mapping number 25 found multiple times. 91: [02:22:49] reactant atom-mapping number 20 found multiple times. 91: [02:22:49] reactant atom-mapping number 21 found multiple times. 91: [02:22:49] reactant atom-mapping number 22 found multiple times. 91: [02:22:49] reactant atom-mapping number 23 found multiple times. 91: [02:22:49] reactant atom-mapping number 24 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br 91: [02:22:49] product atom-mapping number 5 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: [02:22:49] product atom-mapping number 5 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 91: [02:22:49] product atom-mapping number 5 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: [02:22:49] product atom-mapping number 5 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: F[C@@](Cl)(Br)O[C@](F)(Cl)Br 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: F[C@](Cl)(Br)O[C@](F)(Cl)Br 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 4 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] mapped atoms in the reactants were not mapped in the products. 91: unmapped numbers are: 4 91: [02:22:49] product atom-mapping number 3 found multiple times. 91: [02:22:49] product atom-mapping number 2 found multiple times. 91: [02:22:49] product atom-mapping number 1 found multiple times. 91: [02:22:49] mapped atoms in the reactants were not mapped in the products. 91: unmapped numbers are: 4 68: [02:22:49] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 68: [02:22:49] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 91: [02:22:49] product atom-mapping number 6 not found in reactants. 91: [02:22:49] product atom-mapping number 7 not found in reactants. 91: [02:22:49] product atom-mapping number 8 not found in reactants. 91: [02:22:49] product atom-mapping number 7 not found in reactants. 91: [02:22:49] product atom-mapping number 8 not found in reactants. 91: [02:22:49] product atom-mapping number 9 not found in reactants. 91: [02:22:49] product atom-mapping number 10 not found in reactants. 91: [02:22:49] mapped atoms in the reactants were not mapped in the products. 91: unmapped numbers are: 6 91: [02:22:49] product atom-mapping number 7 not found in reactants. 91: [02:22:49] product atom-mapping number 8 not found in reactants. 91: [02:22:49] product atom-mapping number 9 not found in reactants. 91: [02:22:49] product atom-mapping number 10 not found in reactants. 91: [02:22:49] mapped atoms in the reactants were not mapped in the products. 91: unmapped numbers are: 6 91: 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] 91: 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] 83/230 Test #41: resMolSupplierTest ..................... Passed 3.58 sec test 95 Start 95: pyChemReactions 95: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py" 95: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap 95: Test timeout computed to be: 1500 91: [02:22:49] mapped atoms in the reactants were not mapped in the products. 91: unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 91: [02:22:49] product atom-mapping number 17 not found in reactants. 91: [02:22:49] product atom-mapping number 18 not found in reactants. 91: [02:22:49] mapped atoms in the reactants were not mapped in the products. 91: unmapped numbers are: 12 94: Randomness seeded to: 682250316 94: [02:22:49] atom 0 in product 0 has multiple charge specifications. 94: [02:22:49] Found a SCD/SED line with missing/empty SDT specification at line 34 94: [02:22:49] Found a SCD/SED line with missing/empty SDT specification at line 36 94: [02:22:49] Found a SCD/SED line with missing/empty SDT specification at line 38 94: [02:22:49] Found a SCD/SED line with missing/empty SDT specification at line 40 94: [02:22:49] Found a SCD/SED line with missing/empty SDT specification at line 42 94: [02:22:49] Found a SCD/SED line with missing/empty SDT specification at line 87 94: [02:22:49] Found a SCD/SED line with missing/empty SDT specification at line 89 94: [02:22:49] Found a SCD/SED line with missing/empty SDT specification at line 91 94: [02:22:49] Found a SCD/SED line with missing/empty SDT specification at line 93 94: [02:22:49] Found a SCD/SED line with missing/empty SDT specification at line 95 94: [02:22:49] mapped atoms in the reactants were not mapped in the products. 94: unmapped numbers are: 2 94: [02:22:49] mapped atoms in the reactants were not mapped in the products. 94: unmapped numbers are: 2 94: [02:22:49] SMARTS Parse Error: unclosed ring for input: 'CC1' 94: [02:22:49] SMILES Parse Error: unclosed ring for input: 'CC1' 94: [02:22:49] mapped atoms in the reactants were not mapped in the products. 94: unmapped numbers are: 2 94: [02:22:49] product atom-mapping number 2 not found in reactants. 94: [02:22:49] mapped atoms in the reactants were not mapped in the products. 94: unmapped numbers are: 2 94: [02:22:49] product atom-mapping number 2 not found in reactants. 94: [02:22:49] CX Extensions: Substance group hierarchy is not always preserved. 94: [02:22:49] CX Extensions: Substance group hierarchy is not always preserved. 91: [02:22:49] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs) 91: [02:22:49] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs) 91: 94: [02:22:49] reactant 0 has no mapped atoms. 94: [02:22:49] product 0 has no mapped atoms. 94: [02:22:49] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 94: [02:22:49] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 94: [02:22:49] Explicit valence for atom # 1 O, 5, is greater than permitted 94: =============================================================================== 94: All tests passed (702 assertions in 28 test cases) 94: 93: 30000000 30000000 68: ---------------------------------- 68: ---------------------------------- 91: [02:22:49] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels 91: ------------- 91: CCOc1ccccc1 84/230 Test #94: rxnTestCatch ........................... Passed 0.12 sec test 96 Start 96: pyChemReactionEnumerations 96: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py" 96: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap 96: Test timeout computed to be: 1500 68: [02:22:49] 68: 68: **** 68: Pre-condition Violation 68: rlabel out of range for MDL files 68: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp 68: Failed Expression: rlabel >= 0 && rlabel < 100 68: ---------- 68: Stacktrace: 68: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 68: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 68: 2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 68: 3# 0x0000AAAAC6F3EC20 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 4# 0x0000AAAAC6FA44C4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 5# 0x0000AAAAC6F155EC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: 6# 0x0000FFFF7FC8229C in /lib/aarch64-linux-gnu/libc.so.6 68: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 68: 8# 0x0000AAAAC6F157B0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 68: ---------- 68: **** 68: 68: [02:22:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 91: [02:22:49] reactant 0 has no mapped atoms. 91: [02:22:49] product 0 has no mapped atoms. 91: [02:22:49] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product. 85/230 Test #91: testReaction ........................... Passed 0.35 sec test 97 Start 97: pyChemReactionSanitize 97: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/testSanitize.py" 97: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap 97: Test timeout computed to be: 1500 87: Randomness seeded to: 1100420496 87: [02:22:49] Explicit valence for atom # 9 N, 6, is greater than permitted 87: [02:22:49] Explicit valence for atom # 3 Al, 6, is greater than permitted 87: [02:22:49] Explicit valence for atom # 4 Al, 6, is greater than permitted 87: [02:22:49] Explicit valence for atom # 10 Si, 6, is greater than permitted 68: [02:22:49] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas 68: [02:22:49] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas' 68: [02:22:50] Empty atom list: 'M ALS 1 0 F' on line 8. 86/230 Test #68: fileParsersTest1 ....................... Passed 3.03 sec test 98 Start 98: testChemTransforms 98: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms 98: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms 98: Test timeout computed to be: 1500 87: [02:22:50] Explicit valence for atom # 2 O, 4, is greater than permitted 87: [02:22:50] Explicit valence for atom # 3 Al, 6, is greater than permitted 87: [02:22:50] Explicit valence for atom # 3 Be, 4, is greater than permitted 98: 1 smi: CC 98: 1 smi: CC 98: 2 smi: CCO[C@H](N)P 98: 2 smi: CC 98: replaceSub smi1:CCP(CC)[C@@H](N)O 98: replaceSub smi1:CCNCC 98: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O 98: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O 87: [02:22:50] Explicit valence for atom # 27 P, 6, is greater than permitted 98: [02:22:50] SMARTS Parse Error: syntax error while parsing: bar 98: [02:22:50] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar' 87/230 Test #98: testChemTransforms ..................... Passed 0.08 sec test 99 Start 99: chemTransformsTestCatch 99: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms 99: Test timeout computed to be: 1500 99: Randomness seeded to: 2982037809 99: [02:22:50] Incomplete atom labelling, cannot make bond 99: [02:22:50] 99: 99: **** 99: Invariant Violation 99: molzip: bond info already exists for end atom with label:1 99: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 99: Failed Expression: !bond.b 99: ---------- 99: Stacktrace: 99: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 4# 0x0000AAAAEA9D69A0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 5# 0x0000AAAAEAA25A4C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 6# 0x0000AAAAEAA26400 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 7# 0x0000AAAAEAA26834 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 8# 0x0000AAAAEA9FAEF8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 9# 0x0000AAAAEA9FB444 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 10# 0x0000AAAAEA9CBE90 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 11# 0x0000FFFF95CF229C in /lib/aarch64-linux-gnu/libc.so.6 99: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 99: 13# 0x0000AAAAEA9CBF70 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: ---------- 99: **** 99: 99: [02:22:50] Incomplete atom labelling, cannot make bond 99: [02:22:50] 99: 99: **** 99: Invariant Violation 99: molzip: bond info already exists for end atom with label:1 99: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 99: Failed Expression: !bond.b 99: ---------- 99: Stacktrace: 99: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 4# 0x0000AAAAEA9D69A0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 5# 0x0000AAAAEAA25A4C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 6# 0x0000AAAAEAA26400 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 7# 0x0000AAAAEAA26834 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 8# 0x0000AAAAEA9FAEF8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 9# 0x0000AAAAEA9FB444 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 10# 0x0000AAAAEA9CBE90 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 11# 0x0000FFFF95CF229C in /lib/aarch64-linux-gnu/libc.so.6 99: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 99: 13# 0x0000AAAAEA9CBF70 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: ---------- 99: **** 99: 99: [02:22:50] Incomplete atom labelling, cannot make bond 99: [02:22:50] 99: 99: **** 99: Invariant Violation 99: molzip: bond info already exists for end atom with label:1 99: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 99: Failed Expression: !bond.b 99: ---------- 99: Stacktrace: 99: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 4# 0x0000AAAAEA9D69A0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 5# 0x0000AAAAEAA25A4C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 6# 0x0000AAAAEAA26400 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 7# 0x0000AAAAEAA26834 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 8# 0x0000AAAAEA9FAEF8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 9# 0x0000AAAAEA9FB444 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 10# 0x0000AAAAEA9CBE90 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 11# 0x0000FFFF95CF229C in /lib/aarch64-linux-gnu/libc.so.6 99: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 99: 13# 0x0000AAAAEA9CBF70 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: ---------- 99: **** 99: 99: [02:22:50] Incomplete atom labelling, cannot make bond 99: [02:22:50] Incomplete atom labelling, cannot make bond 99: [02:22:50] Incomplete atom labelling, cannot make bond 99: [02:22:50] 99: 99: **** 99: Invariant Violation 99: molzip: bond info already exists for end atom with label:1 99: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 99: Failed Expression: !bond.b 99: ---------- 99: Stacktrace: 99: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 4# 0x0000AAAAEA9D69A0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 5# 0x0000AAAAEAA25A4C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 6# 0x0000AAAAEAA26400 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 7# 0x0000AAAAEAA26834 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 8# 0x0000AAAAEA9FAEF8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 9# 0x0000AAAAEA9FB444 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 10# 0x0000AAAAEA9CBE90 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 11# 0x0000FFFF95CF229C in /lib/aarch64-linux-gnu/libc.so.6 99: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 99: 13# 0x0000AAAAEA9CBF70 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: ---------- 99: **** 99: 99: [02:22:50] Incomplete atom labelling, cannot make bond 99: [02:22:50] 99: 99: **** 99: Invariant Violation 99: molzip: bond info already exists for end atom with label:1 99: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 99: Failed Expression: !bond.b 99: ---------- 99: Stacktrace: 99: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 4# 0x0000AAAAEA9D69A0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 5# 0x0000AAAAEAA25A4C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 6# 0x0000AAAAEAA26400 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 7# 0x0000AAAAEAA26834 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 8# 0x0000AAAAEA9FAEF8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 9# 0x0000AAAAEA9FB444 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 10# 0x0000AAAAEA9CBE90 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 11# 0x0000FFFF95CF229C in /lib/aarch64-linux-gnu/libc.so.6 99: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 99: 13# 0x0000AAAAEA9CBF70 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: ---------- 99: **** 99: 99: [02:22:50] 99: 99: **** 99: Invariant Violation 99: molzip: zipped Bond already exists, perhaps labels are duplicated 99: Violation occurred on line 742 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 99: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx()) 99: ---------- 99: Stacktrace: 99: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 99: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional, std::allocator > > >&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1 99: 5# 0x0000AAAAEA9CCC58 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 6# 0x0000AAAAEAA25A4C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 7# 0x0000AAAAEAA26400 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 8# 0x0000AAAAEAA26834 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 9# 0x0000AAAAEA9FAEF8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 10# 0x0000AAAAEA9FB444 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 11# 0x0000AAAAEA9CBE90 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: 12# 0x0000FFFF95CF229C in /lib/aarch64-linux-gnu/libc.so.6 99: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 99: 14# 0x0000AAAAEA9CBF70 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 99: ---------- 99: **** 99: 99: =============================================================================== 99: All tests passed (674 assertions in 9 test cases) 99: 88/230 Test #99: chemTransformsTestCatch ................ Passed 0.06 sec test 100 Start 100: tautomerQueryTestCatch 100: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch 100: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery 100: Test timeout computed to be: 1500 97: .[02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 95: ...[02:22:50] 95: 95: **** 97: .[02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: () 97: ******************************************** 97: $RXN 97: 97: RDKit 97: 97: 2 1 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 1 0 0 0 0 0 0999 V2000 97: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 97: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 97: 1 2 1 0 97: M RGP 1 2 1 97: V 1 halogen.bromine.aromatic 97: V 2 [*:1] 97: M STY 1 1 DAT 97: M SAL 1 1 1 97: M SED 1 [#35&$([Br&$(Br-&!@c)])] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 4 3 0 1 0 0 0 0 0 0999 V2000 97: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 97: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 2 3 1 0 97: 1 2 1 0 97: 2 4 1 0 97: M RGP 1 1 2 97: V 1 [*:2] 97: V 2 boronicacid 97: M STY 1 1 DAT 97: M SAL 1 1 2 97: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 0 0 0 0 0 0 0999 V2000 97: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 97: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 97: 1 2 1 0 97: M RGP 2 1 1 2 2 97: V 1 [*:1] 97: V 2 [*:2] 97: M END 97: 97: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 97: $RXN 97: 97: RDKit 97: 97: 2 1 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 1 0 0 0 0 0 0999 V2000 97: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 97: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 97: 1 2 1 0 97: M RGP 1 2 1 97: V 1 halogen.bromine.aromatic 97: V 2 [*:1] 97: M STY 1 1 DAT 97: M SAL 1 1 1 97: M SED 1 [#35&$([Br&$(Br-&!@c)])] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 4 3 0 1 0 0 0 0 0 0999 V2000 97: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 97: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 2 3 1 0 97: 1 2 1 0 97: 2 4 1 0 97: M RGP 1 1 2 97: V 1 [*:2] 97: V 2 boronicacid 97: M STY 1 1 DAT 97: M SAL 1 1 2 97: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 0 0 0 0 0 0 0999 V2000 97: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 97: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 97: 1 2 1 0 97: M RGP 2 1 1 2 2 97: V 1 [*:1] 97: V 2 [*:2] 97: M END 97: 97: ******************************************** 97: $RXN 97: 97: RDKit 97: 97: 2 1 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 1 0 0 0 0 0 0999 V2000 97: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 97: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 97: 1 2 1 0 97: M RGP 1 2 1 97: V 1 halogen.bromine.aromatic 97: V 2 * 97: M STY 1 1 DAT 97: M SAL 1 1 1 97: M SED 1 [#35&$([Br&$(Br-&!@c)])] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 4 3 0 1 0 0 0 0 0 0999 V2000 97: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 2 3 1 0 97: 1 2 1 0 97: 2 4 1 0 97: M RGP 1 1 2 97: V 1 * 97: V 2 boronicacid 97: M STY 1 1 DAT 97: M SAL 1 1 2 97: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 0 0 0 0 0 0 0999 V2000 97: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 97: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 97: 1 2 1 0 97: M RGP 2 1 1 2 2 97: V 1 * 97: V 2 * 97: M END 97: 97: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 97: $RXN 97: 97: RDKit 97: 97: 2 1 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 1 0 0 0 0 0 0999 V2000 97: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 97: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 97: 1 2 1 0 97: M RGP 1 2 1 97: V 1 halogen.bromine.aromatic 97: V 2 [*:1] 97: M STY 1 1 DAT 97: M SAL 1 1 1 97: M SED 1 [#35&$([Br&$(Br-&!@c)])] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 4 3 0 1 0 0 0 0 0 0999 V2000 97: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 97: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 2 3 1 0 97: 1 2 1 0 97: 2 4 1 0 97: M RGP 1 1 2 97: V 1 [*:2] 97: V 2 boronicacid 97: M STY 1 1 DAT 97: M SAL 1 1 2 97: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 0 0 0 0 0 0 0999 V2000 97: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 97: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 97: 1 2 1 0 97: M RGP 2 1 1 2 2 97: V 1 [*:1] 97: V 2 [*:2] 97: M END 97: 97: ******************************************** 97: $RXN 97: 97: RDKit 97: 97: 2 1 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 1 0 0 0 0 0 0999 V2000 97: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 97: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 97: 1 2 1 0 97: M ISO 1 2 1 97: V 1 halogen.bromine.aromatic 97: M STY 1 1 DAT 97: M SAL 1 1 1 97: M SED 1 [#35&$([Br&$(Br-&!@c)])] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 4 3 0 1 0 0 0 0 0 0999 V2000 97: 3.4375 -7.7917 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 2 3 1 0 97: 1 2 1 0 97: 2 4 1 0 97: M ISO 1 1 2 97: V 2 boronicacid 97: M STY 1 1 DAT 97: M SAL 1 1 2 97: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 0 0 0 0 0 0 0999 V2000 97: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 97: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 97: 1 2 1 0 97: M ISO 2 1 1 2 2 97: M END 97: 97: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 97: $RXN 97: 97: RDKit 97: 97: 2 1 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 1 0 0 0 0 0 0999 V2000 97: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 97: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 97: 1 2 1 0 97: M RGP 1 2 1 97: V 1 halogen.bromine.aromatic 97: V 2 [*:1] 97: M STY 1 1 DAT 97: M SAL 1 1 1 97: M SED 1 [#35&$([Br&$(Br-&!@c)])] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 4 3 0 1 0 0 0 0 0 0999 V2000 97: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 97: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 2 3 1 0 97: 1 2 1 0 97: 2 4 1 0 97: M RGP 1 1 2 97: V 1 [*:2] 97: V 2 boronicacid 97: M STY 1 1 DAT 97: M SAL 1 1 2 97: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 0 0 0 0 0 0 0999 V2000 97: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 97: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 97: 1 2 1 0 97: M RGP 2 1 1 2 2 97: V 1 [*:1] 97: V 2 [*:2] 97: M END 97: 97: ******************************************** 97: $RXN 97: 97: RDKit 97: 97: 2 1 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 1 0 0 0 0 0 0999 V2000 97: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 97: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 97: 1 2 1 0 97: M ISO 1 2 1 97: V 1 halogen.bromine.aromatic 97: M STY 1 1 DAT 97: M SAL 1 1 1 97: M SED 1 [#35&$([Br&$(Br-&!@c)])] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 4 3 0 1 0 0 0 0 0 0999 V2000 97: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 2 3 1 0 97: 1 2 1 0 97: 2 4 1 0 97: M ISO 1 1 3 97: V 2 boronicacid 97: M STY 1 1 DAT 97: M SAL 1 1 2 97: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 0 0 0 0 0 0 0999 V2000 97: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 97: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 97: 1 2 1 0 97: M ISO 2 1 1 2 2 97: M END 97: [02:22:50] reactant 0 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] product 0 has no mapped atoms. 97: [02:22:50] Could not find RLabel mapping for atom: 0 in template: 1 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 97: [02:22:50] reactant 1 has no mapped atoms. 95: Pre-condition Violation 95: getNumImplicitHs() called without preceding call to calcImplicitValence() 95: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp 95: Failed Expression: d_implicitValence > -1 95: ---------- 95: Stacktrace: 95: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 95: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 95: 2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 95: 3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 95: 4# Queries::EqualityQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1 95: 5# Queries::AndQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 95: 6# Queries::AndQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 95: 7# Queries::OrQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 95: 8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 9# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 10# 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 11# 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 12# 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1 95: 19# 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1 95: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector, std::allocator > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1 95: 21# RDKit::ChemicalReaction::runReactants(std::vector, std::allocator > >, unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1 95: 22# _object* RDKit::RunReactants(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 95: 23# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 95: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 95: 25# 0x0000FFFFBCC315C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 95: 26# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 95: 27# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 95: 28# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 95: 29# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 95: 30# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 95: 31# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 95: 32# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 95: 33# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 95: 34# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 95: 35# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 36# 0x0000FFFFBA714180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 37# 0x0000FFFFBA714118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 38# 0x0000FFFFBA7140A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 39# 0x0000FFFFBA714040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 40# 0x0000FFFFBA713FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 41# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 95: 42# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 95: 43# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 95: 44# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 95: 45# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 95: 46# 0x0000FFFFBCC2E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 95: 47# _PyObject_MakeTpCall in /usr/bin/python3 95: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 49# 0x00000000004C3D1C in /usr/bin/python3 95: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 51# _PyObject_Call_Prepend in /usr/bin/python3 95: 52# 0x000000000052608C in /usr/bin/python3 95: 53# _PyObject_MakeTpCall in /usr/bin/python3 95: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 55# 0x00000000004C3D1C in /usr/bin/python3 95: 56# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 57# _PyObject_Call_Prepend in /usr/bin/python3 95: 58# 0x000000000052608C in /usr/bin/python3 95: 59# _PyObject_MakeTpCall in /usr/bin/python3 95: 60# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 61# 0x00000000004C3D1C in /usr/bin/python3 95: 62# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 63# _PyObject_Call_Prepend in /usr/bin/python3 95: 64# 0x000000000052608C in /usr/bin/python3 95: 65# _PyObject_MakeTpCall in /usr/bin/python3 95: 66# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 67# _PyObject_Call_Prepend in /usr/bin/python3 95: 68# 0x000000000051FB4C in /usr/bin/python3 95: 69# 0x000000000051B324 in /usr/bin/python3 95: 70# _PyObject_MakeTpCall in /usr/bin/python3 95: 71# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 72# PyEval_EvalCode in /usr/bin/python3 95: 73# 0x0000000000595200 in /usr/bin/python3 95: 74# 0x00000000006757AC in /usr/bin/python3 95: 75# _PyRun_SimpleFileObject in /usr/bin/python3 95: 76# _PyRun_AnyFileObject in /usr/bin/python3 95: 77# Py_RunMain in /usr/bin/python3 95: 78# Py_BytesMain in /usr/bin/python3 95: 79# 0x0000FFFFBD63229C in /lib/aarch64-linux-gnu/libc.so.6 95: 80# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 95: 81# _start in /usr/bin/python3 95: ---------- 95: **** 95: 95: [02:22:50] 95: 95: **** 97: .. 97: ---------------------------------------------------------------------- 97: Ran 4 tests in 0.019s 97: 97: OK 97: 97: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 97: $RXN 97: 97: RDKit 97: 97: 2 1 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 1 0 0 0 0 0 0999 V2000 97: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 97: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 97: 1 2 1 0 97: M RGP 1 2 1 97: V 1 halogen.bromine.aromatic 97: V 2 [*:1] 97: M STY 1 1 DAT 97: M SAL 1 1 1 97: M SED 1 [#35&$([Br&$(Br-&!@c)])] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 4 3 0 1 0 0 0 0 0 0999 V2000 97: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97: 2 3 1 0 97: 1 2 1 0 97: 2 4 1 0 97: M ISO 1 1 3 97: V 2 boronicacid 97: M STY 1 1 DAT 97: M SAL 1 1 2 97: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 97: M END 97: $MOL 97: 97: RDKit 2D 97: 97: 2 1 0 0 0 0 0 0 0 0999 V2000 97: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 97: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 97: 1 2 1 0 97: M ISO 1 2 2 97: M RGP 1 1 1 97: V 1 [*:1] 97: M END 97: 97: $RXN Failed 95: Pre-condition Violation 95: getNumImplicitHs() called without preceding call to calcImplicitValence() 95: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp 95: Failed Expression: d_implicitValence > -1 95: ---------- 95: Stacktrace: 95: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 95: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 95: 2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 95: 3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 95: 4# Queries::EqualityQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1 95: 5# Queries::AndQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 95: 6# Queries::AndQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 95: 7# Queries::OrQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 95: 8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 9# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 10# 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 11# 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 12# 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query*, RDKit::SubstructMatchParameters const&, std::map*, std::less, std::allocator*> > >&, std::vector >&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 95: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1 95: 19# 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1 95: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector, std::allocator > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1 95: 21# RDKit::ChemicalReaction::runReactants(std::vector, std::allocator > >, unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1 95: 22# _object* RDKit::RunReactants(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 95: 23# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 95: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 95: 25# 0x0000FFFFBCC315C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 95: 26# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 95: 27# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 95: 28# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 95: 29# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 95: 30# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 95: 31# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 95: 32# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 95: 33# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 95: 34# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 95: 35# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 36# 0x0000FFFFBA714180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 37# 0x0000FFFFBA714118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 38# 0x0000FFFFBA7140A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 39# 0x0000FFFFBA714040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 40# 0x0000FFFFBA713FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 95: 41# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 95: 42# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 95: 43# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 95: 44# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 95: 45# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 95: 46# 0x0000FFFFBCC2E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 95: 47# _PyObject_MakeTpCall in /usr/bin/python3 95: 48# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 49# 0x00000000004C3D1C in /usr/bin/python3 95: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 51# _PyObject_Call_Prepend in /usr/bin/python3 95: 52# 0x000000000052608C in /usr/bin/python3 95: 53# _PyObject_MakeTpCall in /usr/bin/python3 95: 54# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 55# 0x00000000004C3D1C in /usr/bin/python3 95: 56# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 57# _PyObject_Call_Prepend in /usr/bin/python3 95: 58# 0x000000000052608C in /usr/bin/python3 95: 59# _PyObject_MakeTpCall in /usr/bin/python3 95: 60# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 61# 0x00000000004C3D1C in /usr/bin/python3 95: 62# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 63# _PyObject_Call_Prepend in /usr/bin/python3 95: 64# 0x000000000052608C in /usr/bin/python3 95: 65# _PyObject_MakeTpCall in /usr/bin/python3 95: 66# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 67# _PyObject_Call_Prepend in /usr/bin/python3 95: 68# 0x000000000051FB4C in /usr/bin/python3 95: 69# 0x000000000051B324 in /usr/bin/python3 95: 70# _PyObject_MakeTpCall in /usr/bin/python3 95: 71# _PyEval_EvalFrameDefault in /usr/bin/python3 95: 72# PyEval_EvalCode in /usr/bin/python3 95: 73# 0x0000000000595200 in /usr/bin/python3 95: 74# 0x00000000006757AC in /usr/bin/python3 95: 75# _PyRun_SimpleFileObject in /usr/bin/python3 95: 76# _PyRun_AnyFileObject in /usr/bin/python3 95: 77# Py_RunMain in /usr/bin/python3 95: 78# Py_BytesMain in /usr/bin/python3 95: 79# 0x0000FFFFBD63229C in /lib/aarch64-linux-gnu/libc.so.6 95: 80# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 95: 81# _start in /usr/bin/python3 95: ---------- 95: **** 95: 95: .........[02:22:50] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 95: [02:22:50] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 95: [02:22:50] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 95: [02:22:50] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 95: .[02:22:50] product atom-mapping number 1 found multiple times. 95: [02:22:50] product atom-mapping number 1 found multiple times. 95: ................[02:22:50] mapped atoms in the reactants were not mapped in the products. 95: unmapped numbers are: 3 95: [02:22:50] mapped atoms in the reactants were not mapped in the products. 95: unmapped numbers are: 3 96: [02:22:50] == testCartesianProduct 95: .[02:22:50] mapped atoms in the reactants were not mapped in the products. 95: unmapped numbers are: 3 95: ..[02:22:50] reactant 2 has no mapped atoms. 95: [02:22:50] reactant 2 has no mapped atoms. 95: [02:22:50] product 1 has no mapped atoms. 100: Randomness seeded to: 1376698797 100: =============================================================================== 100: All tests passed (93 assertions in 13 test cases) 100: 89/230 Test #97: pyChemReactionSanitize ................. Passed 0.51 sec 90/230 Test #100: tautomerQueryTestCatch ................. Passed 0.12 sec test 101 Start 101: pyTautomerQuery 101: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/TautomerQuery/Wrap/rough_test.py" 101: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap 101: Test timeout computed to be: 1500 test 102 Start 102: testSubgraphs1 102: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1 102: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs 102: Test timeout computed to be: 1500 95: ........[02:22:50] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q 95: [02:22:50] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q' 95: [02:22:50] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q 95: [02:22:50] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q' 95: .[02:22:50] reactant atom-mapping number 1 found multiple times. 95: [02:22:50] product atom-mapping number 2 not found in reactants. 95: [02:22:50] mapped atoms in the reactants were not mapped in the products. 95: unmapped numbers are: 4 95: [02:22:50] product atom-mapping number 5 not found in reactants. 96: .[02:22:50] == testEnumerateLibrary 102: ----------------------- 102: Subgraph retrieval 102: Finished 102: ----------------------- 102: testSubgraphs2a 102: Finished 102: ----------------------- 102: testSubgraphs2 96: /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/testData/enumeration.pickle'> 96: open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read()) 96: ResourceWarning: Enable tracemalloc to get the object allocation traceback 95: ........./build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'> 95: png = open(fname, 'rb').read() 95: ResourceWarning: Enable tracemalloc to get the object allocation traceback 95: [02:22:50] Found a SCD/SED line with missing/empty SDT specification at line 34 95: [02:22:50] Found a SCD/SED line with missing/empty SDT specification at line 36 95: [02:22:50] Found a SCD/SED line with missing/empty SDT specification at line 38 95: [02:22:50] Found a SCD/SED line with missing/empty SDT specification at line 40 95: [02:22:50] Found a SCD/SED line with missing/empty SDT specification at line 42 95: [02:22:50] Found a SCD/SED line with missing/empty SDT specification at line 87 95: [02:22:50] Found a SCD/SED line with missing/empty SDT specification at line 89 95: [02:22:50] Found a SCD/SED line with missing/empty SDT specification at line 91 95: [02:22:50] Found a SCD/SED line with missing/empty SDT specification at line 93 95: [02:22:50] Found a SCD/SED line with missing/empty SDT specification at line 95 102: Finished 102: ----------------------- 102: Path retrieval 102: Finished 102: ----------------------- 102: Path retrieval2 102: Finished 102: ----------------------- 102: Unique Subgraph retrieval 102: Finished 102: ----------------------- 102: testUniqueSubgraphs2 96: ..[02:22:50] == testRGroupState 96: .[02:22:50] == testRandomEnumerateAllBBsLibrary 96: ** [1, 1] 96: ** [0, 2] 96: ** [1, 0] 96: .[02:22:50] == testRandomEnumerateLibrary 96: .[02:22:50] == testRandomSample 96: .[02:22:50] == testRandomSampleAllBBs 96: .[02:22:50] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 96: [02:22:50] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 101: ..... 101: ---------------------------------------------------------------------- 101: Ran 5 tests in 0.030s 101: 101: OK 96: .[02:22:50] == testRemoveBadMatches 96: .[02:22:50] == testTimings 95: ..[02:22:50] SMARTS Parse Error: syntax error while parsing: boromicacid 95: [02:22:50] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' 95: [02:22:50] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide 95: [02:22:50] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' 95: [02:22:50] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride 95: [02:22:50] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' 95: [02:22:50] reaction has no reactants 95: [02:22:50] reaction has no products 95: [02:22:50] initialization failed 95: [02:22:50] reaction has no reactants 95: [02:22:50] reaction has no products 95: .[02:22:50] SMARTS Parse Error: syntax error while parsing: boromicacid 95: [02:22:50] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' 95: [02:22:50] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide 95: [02:22:50] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' 87: [02:22:50] Explicit valence for atom # 9 N, 6, is greater than permitted 95: [02:22:50] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride 95: [02:22:50] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' 95: [02:22:50] reaction has no reactants 95: [02:22:50] reaction has no products 95: [02:22:50] initialization failed 95: [02:22:50] reaction has no reactants 95: [02:22:50] reaction has no products 95: . 95: ---------------------------------------------------------------------- 95: Ran 54 tests in 0.444s 95: 95: OK 95: ******************************************** 95: /build/reproducible-path/rdkit-202409.2/Code/GraphMol/ChemReactions/testData/AmideBond.rxn 95: 102: Finished 102: ----------------------- 102: testRootedSubgraphs 102: Finished 102: ----------------------- 102: testRootedPaths 102: Finished 91/230 Test #102: testSubgraphs1 ......................... Passed 0.33 sec test 103 Start 103: testSubgraphs2 103: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs2 103: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs 103: Test timeout computed to be: 1500 103: ----------------------- 103: Test1: pathToSubmol 103: Finished 103: ----------------------- 103: Test2: Atom Environments 103: Finished 103: ----------------------- 103: Test 3: Atom Environments (Extension) 103: Finished 103: ----------------------- 103: Testing github Issue103: stereochemistry and pathToSubmol 92/230 Test #101: pyTautomerQuery ........................ Passed 0.37 sec test 104 Start 104: subgraphsCatch 104: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch 104: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs 104: Test timeout computed to be: 1500 103: Finished 103: ----------------------- 103: Testing github Issue103: more stereochemistry and pathToSubmol (path needs to be in sorted order) 103: Finished 93/230 Test #103: testSubgraphs2 ......................... Passed 0.05 sec test 105 Start 105: filterCatalogTest 105: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest 105: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog 105: Test timeout computed to be: 1500 87: [02:22:50] Explicit valence for atom # 3 Al, 6, is greater than permitted 94/230 Test #95: pyChemReactions ........................ Passed 1.16 sec test 106 Start 106: pyFilterCatalog 106: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/FilterCatalog/Wrap/rough_test.py" 106: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap 106: Test timeout computed to be: 1500 104: Randomness seeded to: 3677446499 104: --------- 104: =============================================================================== 104: All tests passed (11 assertions in 1 test case) 104: 95/230 Test #104: subgraphsCatch ......................... Passed 0.05 sec test 107 Start 107: testFragCatalog 107: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 107: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog 107: Test timeout computed to be: 1500 27: Checking against /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 87: [02:22:50] Explicit valence for atom # 4 Al, 6, is greater than permitted 87: [02:22:50] Explicit valence for atom # 10 Si, 6, is greater than permitted 107: 21 105: Warning: molecule failed filter 105: Warning: molecule failed filter: reason hzone_phenol_A(479) 105: v = { 105: 0,23}, 105: 1,22}, 105: 2,20}, 105: 3,19}, 105: 4,25}, 105: 5,24}, 105: 6,18}, 105: 7,17}, 105: 8,16}, 105: 9,21}, 105: } 105: match = { 105: 0,23}, 105: 1,22}, 105: 2,20}, 105: 3,19}, 105: 4,25}, 105: 5,24}, 105: 6,18}, 105: 7,17}, 105: 8,16}, 105: 9,21}, 105: } 105: Warning: molecule failed filter 105: Warning: molecule failed filter: reason cyano_imine_B(17) 105: v = { 105: 0,11}, 105: 1,12}, 105: 2,13}, 105: 3,14}, 105: 4,15}, 105: 5,10}, 105: 6,9}, 105: 7,8}, 105: 8,7}, 105: 9,6}, 105: 10,5}, 105: 11,17}, 105: 12,16}, 105: } 105: match = { 105: 0,11}, 105: 1,12}, 105: 2,13}, 105: 3,14}, 105: 4,15}, 105: 5,10}, 105: 6,9}, 105: 7,8}, 105: 8,7}, 105: 9,6}, 105: 10,5}, 105: 11,17}, 105: 12,16}, 105: } 105: Warning: molecule failed filter 105: Warning: molecule failed filter: reason keto_keto_gamma(5) 105: v = { 105: 0,0}, 105: 1,1}, 105: 2,2}, 105: 3,4}, 105: 4,5}, 105: 5,6}, 105: 6,7}, 105: 7,8}, 105: 8,9}, 105: 9,14}, 105: 10,15}, 105: 11,16}, 105: } 105: match = { 105: 0,0}, 105: 1,1}, 105: 2,2}, 105: 3,4}, 105: 4,5}, 105: 5,6}, 105: 6,7}, 105: 7,8}, 105: 8,9}, 105: 9,14}, 105: 10,15}, 105: 11,16}, 105: } 87: [02:22:50] Explicit valence for atom # 2 O, 4, is greater than permitted 87: [02:22:50] Explicit valence for atom # 3 Al, 6, is greater than permitted 87: [02:22:50] Explicit valence for atom # 3 Be, 4, is greater than permitted 87: [02:22:50] Explicit valence for atom # 27 P, 6, is greater than permitted 87: =============================================================================== 87: All tests passed (21162 assertions in 3 test cases) 87: 96/230 Test #87: multithreadedSupplierCatchTest ......... Passed 2.15 sec test 108 Start 108: pyFragCatalog 108: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/FragCatalog/Wrap/rough_test.py" 108: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap 108: Test timeout computed to be: 1500 27: All 191 tests passed 97/230 Test #105: filterCatalogTest ...................... Passed 0.29 sec test 109 Start 109: testDescriptors 109: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testDescriptors 109: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 109: Test timeout computed to be: 1500 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test Crippen parameter acquisition. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test Crippen calculation. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test Issue262: problems with Crippen calculation from pickles. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test AMW calculation. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test Exact MW calculation. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test Labute ASA descriptors. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test TPSA descriptors. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test Lipinski parameters. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test VSA descriptors. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test molecular formula calculation. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test Issue 3415534. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test Issue3433771: Bad definition for Crippen atom type O11. 109: [02:22:51] done 109: [02:22:51] ------------------------------------- 109: [02:22:51] Test multithreading 109: reading molecules 109: processing 109: launch :0 109: launch :1 109: launch :2 109: launch :3 27: 27: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/test_data/MMFF94_dative.smi... 107: [02:22:51] 107: 107: **** 107: Invariant Violation 107: nonsense 107: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 107: Failed Expression: token != tokens.end() 107: ---------- 107: Stacktrace: 107: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 107: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 107: 2# 0x0000FFFFAA871910 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1 107: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1 107: 4# 0x0000AAAAD190785C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 107: 5# 0x0000AAAAD1904760 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 107: 6# 0x0000FFFFA9E5229C in /lib/aarch64-linux-gnu/libc.so.6 107: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 107: 8# 0x0000AAAAD1904930 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 107: ---------- 107: **** 107: 107: [02:22:51] 107: 107: **** 107: Invariant Violation 107: nonsense no new line 107: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 107: Failed Expression: token != tokens.end() 107: ---------- 107: Stacktrace: 107: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 107: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 107: 2# 0x0000FFFFAA871910 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1 107: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1 107: 4# 0x0000AAAAD190785C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 107: 5# 0x0000AAAAD1904760 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 107: 6# 0x0000FFFFA9E5229C in /lib/aarch64-linux-gnu/libc.so.6 107: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 107: 8# 0x0000AAAAD1904930 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 107: ---------- 107: **** 107: 107: [02:22:51] 107: 107: **** 107: Invariant Violation 107: nonsense with tab 107: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 107: Failed Expression: token != tokens.end() 107: ---------- 107: Stacktrace: 107: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 107: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 107: 2# 0x0000FFFFAA871910 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1 107: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1 107: 4# 0x0000AAAAD190785C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 107: 5# 0x0000AAAAD1904760 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 107: 6# 0x0000FFFFA9E5229C in /lib/aarch64-linux-gnu/libc.so.6 107: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 107: 8# 0x0000AAAAD1904930 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 107: ---------- 107: **** 107: 98/230 Test #107: testFragCatalog ........................ Passed 0.65 sec test 110 Start 110: testAUTOCORR2D 110: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D 110: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 110: Test timeout computed to be: 1500 110: [02:22:51] ---------------------------- 110: start test autocorr2D 108: ......... 108: ---------------------------------------------------------------------- 108: Ran 9 tests in 0.068s 108: 108: OK 99/230 Test #108: pyFragCatalog .......................... Passed 0.57 sec test 111 Start 111: testATF 111: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testATF 111: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 111: Test timeout computed to be: 1500 100/230 Test #111: testATF ................................ Passed 0.04 sec test 112 Start 112: testBCUT 112: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testBCUT 112: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 112: Test timeout computed to be: 1500 112: [02:22:51] ------------------------------------- 112: [02:22:51] Basic BCUT tests. 112: [02:22:51] done 112: [02:22:51] ------------------------------------- 112: [02:22:51] Larger BCUT tests. 106: .............[02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 106: [02:22:51] SMILES Parse Error: syntax error while parsing: --- 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 106: [02:22:51] dasfsadf 96: . 96: ---------------------------------------------------------------------- 96: Ran 11 tests in 1.470s 96: 96: OK 96: True 96: == CartesianProductStrategy CartesianProductStrategy 96: 197 out of 300 96: 0 6 out of 10 96: 1 3 out of 5 96: 2 4 out of 6 96: 198 out of 300 96: 0 10 out of 10 96: 1 5 out of 5 96: 2 6 out of 6 96: Skipped 10000000 in 0.08572196960449219 seconds 96: Skipped 10000000 in 0.5779273509979248 seconds 96: Skipped 10000000 in 0.3091883659362793 seconds 106: .[02:22:51] SMILES Parse Error: syntax error while parsing: mydoghasfleas 106: [02:22:51] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas' 101/230 Test #96: pyChemReactionEnumerations ............. Passed 2.23 sec test 113 Start 113: testEEM 113: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testEEM 113: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 113: Test timeout computed to be: 1500 106: ....... 106: ---------------------------------------------------------------------- 106: Ran 21 tests in 0.932s 106: 106: OK 106: (Five aromatic carbons And (Not any of Five aromatic carbons)) 106: (Five aromatic carbons Or (Not any of Five aromatic carbons)) 106: (Not (Five aromatic carbons And (Not any of Five aromatic carbons))) 106: ******************************************** 106: Testing: PAINS_A 2 106: ******************************************** 106: Testing: PAINS_B 4 106: ******************************************** 106: Testing: PAINS_C 8 106: ******************************************** 106: Testing: PAINS 14 106: (Not FilterMatcher) 106: Bar 106: Count 1 106: ******************************************** 106: {'Cl,Br,I'} 106: 1 106: 2 106: running 113: =>start test EEM 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: 0 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 112: [02:22:52] ------------------------------------- 112: [02:22:52] Test empty molecule BCUT. 102/230 Test #112: testBCUT ............................... Passed 0.55 sec test 114 Start 114: testPBF 114: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testPBF 114: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 114: Test timeout computed to be: 1500 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103/230 Test #106: pyFilterCatalog ........................ Passed 1.44 sec test 115 Start 115: testRDFcustom 115: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testRDFcustom 115: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 115: Test timeout computed to be: 1500 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 114: [02:22:52] ------------------------------------- 114: [02:22:52] Basic PBF tests. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: 100 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 110: [02:22:52] done 110: [02:22:52] ------------------------------------- 110: [02:22:52] Test Github #3806: NaNs from AUTOCORR2D descriptor 110: [02:22:52] done 114: [02:22:52] done 114: [02:22:52] ------------------------------------- 114: [02:22:52] PBF edge cases. 104/230 Test #110: testAUTOCORR2D ......................... Passed 0.99 sec test 116 Start 116: testRDF 116: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testRDF 116: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 116: Test timeout computed to be: 1500 114: [02:22:52] done 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 105/230 Test #114: testPBF ................................ Passed 0.26 sec test 117 Start 117: testMORSE 117: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testMORSE 117: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 117: Test timeout computed to be: 1500 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: 200 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 115: =>start test rdf custom 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 115: [02:22:52] test on : 365 molecules done 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: 300 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 116: =>start test rdf 116: [02:22:52] test on : 365 molecules done 106/230 Test #116: testRDF ................................ Passed 0.55 sec test 118 Start 118: test3D 118: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/test3D 118: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 118: Test timeout computed to be: 1500 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 118: [02:22:52] ------------------------------------- 118: [02:22:52] Basic PMI tests. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: 400 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 118: [02:22:53] done 118: [02:22:53] ------------------------------------- 118: [02:22:53] More PMI/NPR tests. 118: [02:22:53] done 118: [02:22:53] ------------------------------------- 118: [02:22:53] Basic NPR tests. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: [02:22:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 113: Elapsed time: 1.38243 s 113: Errors:0 113: [02:22:53] test on : 500 molecules done 107/230 Test #113: testEEM ................................ Passed 1.41 sec test 119 Start 119: testWHIM 119: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testWHIM 119: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 119: Test timeout computed to be: 1500 118: [02:22:53] done 118: [02:22:53] ------------------------------------- 118: [02:22:53] PMI edge cases. 118: [02:22:53] done 118: [02:22:53] ------------------------------------- 118: [02:22:53] NPR edge cases. 118: [02:22:53] done 118: [02:22:53] ------------------------------------- 118: [02:22:53] 3D descriptors. 118: [02:22:53] done 118: [02:22:53] ------------------------------------- 118: [02:22:53] 3D descriptor edge cases. 118: [02:22:53] done 118: [02:22:53] ------------------------------------- 118: [02:22:53] Inertial shape factor. 118: [02:22:53] done 108/230 Test #118: test3D ................................. Passed 0.40 sec test 120 Start 120: testGETAWAY 120: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY 120: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 120: Test timeout computed to be: 1500 115: =>start test morse custom 115: [02:22:53] test on : 365 molecules done 117: =>start test MORSE 117: =>read file 117: [02:22:53] test on : 365 molecules done 109/230 Test #117: testMORSE .............................. Passed 1.13 sec test 121 Start 121: testAUTOCORR3D 121: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR3D 121: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 121: Test timeout computed to be: 1500 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test Issue252: Bad definitions for Crippen atom types. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test calculation of ChiVs. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test calculation of ChiNs. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test calculation of HallKierAlpha. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test calculation of Kappa1. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test calculation of Kappa2. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test calculation of Kappa3. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test Crippen atom type calculations. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test ring descriptors 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test other count descriptors. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test MQN 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test GitHub Issue 56. 109: [02:22:53] WARNING: not removing hydrogen atom without neighbors 109: [02:22:53] WARNING: not removing hydrogen atom without neighbors 109: [02:22:53] WARNING: not removing hydrogen atom without neighbors 109: [02:22:53] WARNING: not removing hydrogen atom without neighbors 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test Github92: Bad Crippen atom type for pyrrole H. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test Github362: order dependence in Kier-Hall descriptors. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test calculation of spiro and bridgehead counts. 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test Github694: ExactMolWt ignoring the mass of the electron 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Testing Properties and KitchenSink 109: [02:22:53] ---Caught keyerror (bad property name)--- 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test USR Descriptor 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test Github #1973: support P and S terms for TPSA calculation 109: [02:22:53] done 109: [02:22:53] ------------------------------------- 109: [02:22:53] Test Github #2948: Empty molecule has non-zero LabuteASA 109: [02:22:53] done 110/230 Test #109: testDescriptors ........................ Passed 2.68 sec test 122 Start 122: testCoulombMat 122: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testCoulombMat 122: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 122: Test timeout computed to be: 1500 122: ===================== Testing CoulombMat ======================= 122: CM test 1 mat Done 111/230 Test #122: testCoulombMat ......................... Passed 0.03 sec test 123 Start 123: descriptorsTestCatch 123: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/descriptorsTestCatch 123: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 123: Test timeout computed to be: 1500 119: =>start test WHIM 119: [02:22:53] test on : 365 molecules done 112/230 Test #119: testWHIM ............................... Passed 0.44 sec test 124 Start 124: pyMolDescriptors 124: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py" 124: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap 124: Test timeout computed to be: 1500 115: =>start test AUTOCORR3D custom 115: [02:22:53] test on : 365 molecules done 123: Randomness seeded to: 3411648243 123: Warning: Atom Count for residue GLU5A does not match expected count 123: Warning: Atom Count for residue ASN39A does not match expected count 123: Warning: Atom Count for residue GLU53A does not match expected count 123: Warning: Atom Count for residue ARG64A does not match expected count 123: Warning: Atom Count for residue LYS80A does not match expected count 123: Warning: Atom Count for residue GLU150A does not match expected count 123: Warning: Atom Count for residue ASN157A does not match expected count 73: [02:22:53] Finished: testSmiCorrectness() 73: [02:22:53] ----------------------------------------- 73: 73: [02:22:53] 73: ----------------------------------------- 73: [02:22:54] Spurious data before the first property will be ignored 73: [02:22:54] Property will be truncated after the first blank line 73: [02:22:54] Property will be truncated after the first blank line 73: [02:22:54] Property will be truncated after the first blank line 121: =>start test autocorr3D 121: [02:22:54] test on : 365 molecules done 113/230 Test #121: testAUTOCORR3D ......................... Passed 0.51 sec test 125 Start 125: pyMolDescriptors3D 125: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Descriptors/Wrap/test3D.py" 125: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap 125: Test timeout computed to be: 1500 123: Warning: Atom Count for residue GLU5A does not match expected count 115: =>start test 2 WHIM custom 115: [02:22:54] test on : 365 molecules done 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: ..[02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: .[02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 124: ..[02:22:54] 124: 124: **** 124: Pre-condition Violation 124: Number of atom props not equal to number of atoms 124: Violation occurred on line 89 in file ./Code/GraphMol/Descriptors/BCUT.cpp 124: Failed Expression: atom_props.size() == num_atoms 124: ---------- 124: Stacktrace: 124: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 124: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 124: 2# RDKit::Descriptors::BCUT2D(RDKit::ROMol const&, std::vector > const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitDescriptors.so.1 124: 3# 0x0000FFFFA69AC01C in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolDescriptors.so 124: 4# 0x0000FFFFA69BF890 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolDescriptors.so 124: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 124: 6# 0x0000FFFFAB1B15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 124: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 124: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 124: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 124: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 124: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 124: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 124: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 124: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 124: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 124: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 124: 17# 0x0000FFFFA8C74180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 124: 18# 0x0000FFFFA8C74118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 124: 19# 0x0000FFFFA8C740A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 124: 20# 0x0000FFFFA8C74040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 124: 21# 0x0000FFFFA8C73FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 124: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 124: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 124: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 124: 25# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 124: 26# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 124: 27# 0x0000FFFFAB1AE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 124: 28# _PyObject_MakeTpCall in /usr/bin/python3 124: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 124: 30# 0x00000000004C3D1C in /usr/bin/python3 124: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 124: 32# _PyObject_Call_Prepend in /usr/bin/python3 124: 33# 0x000000000052608C in /usr/bin/python3 124: 34# _PyObject_MakeTpCall in /usr/bin/python3 124: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 124: 36# 0x00000000004C3D1C in /usr/bin/python3 124: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 124: 38# _PyObject_Call_Prepend in /usr/bin/python3 124: 39# 0x000000000052608C in /usr/bin/python3 124: 40# _PyObject_MakeTpCall in /usr/bin/python3 124: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 124: 42# 0x00000000004C3D1C in /usr/bin/python3 124: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 124: 44# _PyObject_Call_Prepend in /usr/bin/python3 124: 45# 0x000000000052608C in /usr/bin/python3 124: 46# _PyObject_MakeTpCall in /usr/bin/python3 124: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 124: 48# _PyObject_Call_Prepend in /usr/bin/python3 124: 49# 0x000000000051FB4C in /usr/bin/python3 124: 50# 0x000000000051B324 in /usr/bin/python3 124: 51# _PyObject_MakeTpCall in /usr/bin/python3 124: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 124: 53# PyEval_EvalCode in /usr/bin/python3 124: 54# 0x0000000000595200 in /usr/bin/python3 124: 55# 0x00000000006757AC in /usr/bin/python3 124: 56# _PyRun_SimpleFileObject in /usr/bin/python3 124: 57# _PyRun_AnyFileObject in /usr/bin/python3 124: 58# Py_RunMain in /usr/bin/python3 124: 59# Py_BytesMain in /usr/bin/python3 124: 60# 0x0000FFFFAB9B229C in /lib/aarch64-linux-gnu/libc.so.6 124: 61# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 124: 62# _start in /usr/bin/python3 124: ---------- 124: **** 124: 124: ...Warning: Atom Count for residue GLU5A does not match expected count 124: Warning: Atom Count for residue ASN39A does not match expected count 124: Warning: Atom Count for residue GLU53A does not match expected count 124: Warning: Atom Count for residue ARG64A does not match expected count 124: Warning: Atom Count for residue LYS80A does not match expected count 124: Warning: Atom Count for residue GLU150A does not match expected count 124: Warning: Atom Count for residue ASN157A does not match expected count 124: Warning: Atom Count for residue GLU5A does not match expected count 73: [02:22:54] Finished: testSDCorrectness() 73: [02:22:54] ----------------------------------------- 73: 114/230 Test #73: testMultithreadedMolSupplier ........... Passed 6.64 sec test 126 Start 126: testFingerprints 126: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprints 126: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints 126: Test timeout computed to be: 1500 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: Atoms: 126: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: Bonds: 126: 0 0->1 order: 1 conj?: 1 126: 1 1->2 order: a conj?: 1 aromatic?: 1 126: 2 2->3 order: a conj?: 1 aromatic?: 1 126: 3 3->4 order: a conj?: 1 aromatic?: 1 126: 4 4->5 order: a conj?: 1 aromatic?: 1 126: 5 5->6 order: a conj?: 1 aromatic?: 1 126: 6 6->7 order: a conj?: 1 aromatic?: 1 126: 7 7->8 order: a conj?: 1 aromatic?: 1 126: 8 8->9 order: 1 conj?: 1 126: 9 8->10 order: a conj?: 1 aromatic?: 1 126: 10 10->1 order: a conj?: 1 aromatic?: 1 126: 11 7->3 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: SMI: Oc1cc2[nH]cnc2c(O)n1 126: Atoms: 126: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: Bonds: 126: 0 0->1 order: 1 conj?: 1 126: 1 1->2 order: a conj?: 1 aromatic?: 1 126: 2 2->3 order: a conj?: 1 aromatic?: 1 126: 3 3->4 order: a conj?: 1 aromatic?: 1 126: 4 4->5 order: a conj?: 1 aromatic?: 1 126: 5 5->6 order: a conj?: 1 aromatic?: 1 126: 6 6->7 order: a conj?: 1 aromatic?: 1 126: 7 7->8 order: a conj?: 1 aromatic?: 1 126: 8 8->9 order: 1 conj?: 1 126: 9 8->10 order: a conj?: 1 aromatic?: 1 126: 10 10->1 order: a conj?: 1 aromatic?: 1 126: 11 7->3 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: SMI: c1(O)cc2[nH]cnc2c(O)n1 126: Atoms: 126: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: Bonds: 126: 0 0->1 order: 1 conj?: 1 126: 1 0->2 order: a conj?: 1 aromatic?: 1 126: 2 2->3 order: a conj?: 1 aromatic?: 1 126: 3 3->4 order: a conj?: 1 aromatic?: 1 126: 4 4->5 order: a conj?: 1 aromatic?: 1 126: 5 5->6 order: a conj?: 1 aromatic?: 1 126: 6 6->7 order: a conj?: 1 aromatic?: 1 126: 7 7->8 order: a conj?: 1 aromatic?: 1 126: 8 8->9 order: 1 conj?: 1 126: 9 8->10 order: a conj?: 1 aromatic?: 1 126: 10 10->0 order: a conj?: 1 aromatic?: 1 126: 11 7->3 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: SMI: c1c(O)nc(O)c2c1[nH]cn2 126: Atoms: 126: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 3 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: Bonds: 126: 0 0->1 order: a conj?: 1 aromatic?: 1 126: 1 1->2 order: 1 conj?: 1 126: 2 1->3 order: a conj?: 1 aromatic?: 1 126: 3 3->4 order: a conj?: 1 aromatic?: 1 126: 4 4->5 order: 1 conj?: 1 126: 5 4->6 order: a conj?: 1 aromatic?: 1 126: 6 6->7 order: a conj?: 1 aromatic?: 1 126: 7 7->8 order: a conj?: 1 aromatic?: 1 126: 8 8->9 order: a conj?: 1 aromatic?: 1 126: 9 9->10 order: a conj?: 1 aromatic?: 1 126: 10 7->0 order: a conj?: 1 aromatic?: 1 126: 11 10->6 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: SMI: c12cc(O)nc(O)c1nc[nH]2 126: Atoms: 126: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 3 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: Bonds: 126: 0 0->1 order: a conj?: 1 aromatic?: 1 126: 1 1->2 order: a conj?: 1 aromatic?: 1 126: 2 2->3 order: 1 conj?: 1 126: 3 2->4 order: a conj?: 1 aromatic?: 1 126: 4 4->5 order: a conj?: 1 aromatic?: 1 126: 5 5->6 order: 1 conj?: 1 126: 6 5->7 order: a conj?: 1 aromatic?: 1 126: 7 7->8 order: a conj?: 1 aromatic?: 1 126: 8 8->9 order: a conj?: 1 aromatic?: 1 126: 9 9->10 order: a conj?: 1 aromatic?: 1 126: 10 7->0 order: a conj?: 1 aromatic?: 1 126: 11 10->0 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: SMI: [nH]1c2cc(O)nc(O)c2nc1 126: Atoms: 126: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 9 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 10 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: Bonds: 126: 0 0->1 order: a conj?: 1 aromatic?: 1 126: 1 1->2 order: a conj?: 1 aromatic?: 1 126: 2 2->3 order: a conj?: 1 aromatic?: 1 126: 3 3->4 order: 1 conj?: 1 126: 4 3->5 order: a conj?: 1 aromatic?: 1 126: 5 5->6 order: a conj?: 1 aromatic?: 1 126: 6 6->7 order: 1 conj?: 1 126: 7 6->8 order: a conj?: 1 aromatic?: 1 126: 8 8->9 order: a conj?: 1 aromatic?: 1 126: 9 9->10 order: a conj?: 1 aromatic?: 1 126: 10 10->0 order: a conj?: 1 aromatic?: 1 126: 11 8->1 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: SMI: c1[nH]c2cc(O)nc(O)c2n1 126: Atoms: 126: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 1 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 8 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: Bonds: 126: 0 0->1 order: a conj?: 1 aromatic?: 1 126: 1 1->2 order: a conj?: 1 aromatic?: 1 126: 2 2->3 order: a conj?: 1 aromatic?: 1 126: 3 3->4 order: a conj?: 1 aromatic?: 1 126: 4 4->5 order: 1 conj?: 1 126: 5 4->6 order: a conj?: 1 aromatic?: 1 126: 6 6->7 order: a conj?: 1 aromatic?: 1 126: 7 7->8 order: 1 conj?: 1 126: 8 7->9 order: a conj?: 1 aromatic?: 1 126: 9 9->10 order: a conj?: 1 aromatic?: 1 126: 10 10->0 order: a conj?: 1 aromatic?: 1 126: 11 9->2 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: SMI: n1c[nH]c2cc(O)nc(O)c21 126: Atoms: 126: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 10 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: Bonds: 126: 0 0->1 order: a conj?: 1 aromatic?: 1 126: 1 1->2 order: a conj?: 1 aromatic?: 1 126: 2 2->3 order: a conj?: 1 aromatic?: 1 126: 3 3->4 order: a conj?: 1 aromatic?: 1 126: 4 4->5 order: a conj?: 1 aromatic?: 1 126: 5 5->6 order: 1 conj?: 1 126: 6 5->7 order: a conj?: 1 aromatic?: 1 126: 7 7->8 order: a conj?: 1 aromatic?: 1 126: 8 8->9 order: 1 conj?: 1 126: 9 8->10 order: a conj?: 1 aromatic?: 1 126: 10 10->0 order: a conj?: 1 aromatic?: 1 126: 11 10->3 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: SMI: c12c(cc(O)nc1O)[nH]cn2 126: Atoms: 126: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: Bonds: 126: 0 0->1 order: a conj?: 1 aromatic?: 1 126: 1 1->2 order: a conj?: 1 aromatic?: 1 126: 2 2->3 order: a conj?: 1 aromatic?: 1 126: 3 3->4 order: 1 conj?: 1 126: 4 3->5 order: a conj?: 1 aromatic?: 1 126: 5 5->6 order: a conj?: 1 aromatic?: 1 126: 6 6->7 order: 1 conj?: 1 126: 7 1->8 order: a conj?: 1 aromatic?: 1 126: 8 8->9 order: a conj?: 1 aromatic?: 1 126: 9 9->10 order: a conj?: 1 aromatic?: 1 126: 10 6->0 order: a conj?: 1 aromatic?: 1 126: 11 10->0 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: SMI: c1(O)c2c(cc(O)n1)[nH]cn2 126: Atoms: 126: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: Bonds: 126: 0 0->1 order: 1 conj?: 1 126: 1 0->2 order: a conj?: 1 aromatic?: 1 126: 2 2->3 order: a conj?: 1 aromatic?: 1 126: 3 3->4 order: a conj?: 1 aromatic?: 1 126: 4 4->5 order: a conj?: 1 aromatic?: 1 126: 5 5->6 order: 1 conj?: 1 126: 6 5->7 order: a conj?: 1 aromatic?: 1 126: 7 3->8 order: a conj?: 1 aromatic?: 1 126: 8 8->9 order: a conj?: 1 aromatic?: 1 126: 9 9->10 order: a conj?: 1 aromatic?: 1 126: 10 7->0 order: a conj?: 1 aromatic?: 1 126: 11 10->2 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: SMI: Oc1c2c(cc(O)n1)[nH]cn2 126: Atoms: 126: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: Bonds: 126: 0 0->1 order: 1 conj?: 1 126: 1 1->2 order: a conj?: 1 aromatic?: 1 126: 2 2->3 order: a conj?: 1 aromatic?: 1 126: 3 3->4 order: a conj?: 1 aromatic?: 1 126: 4 4->5 order: a conj?: 1 aromatic?: 1 126: 5 5->6 order: 1 conj?: 1 126: 6 5->7 order: a conj?: 1 aromatic?: 1 126: 7 3->8 order: a conj?: 1 aromatic?: 1 126: 8 8->9 order: a conj?: 1 aromatic?: 1 126: 9 9->10 order: a conj?: 1 aromatic?: 1 126: 10 7->1 order: a conj?: 1 aromatic?: 1 126: 11 10->2 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: SMI: n1c(O)cc2[nH]cnc2c1O 126: Atoms: 126: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 6 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1 126: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1 126: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1 126: 10 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2 126: Bonds: 126: 0 0->1 order: a conj?: 1 aromatic?: 1 126: 1 1->2 order: 1 conj?: 1 126: 2 1->3 order: a conj?: 1 aromatic?: 1 126: 3 3->4 order: a conj?: 1 aromatic?: 1 126: 4 4->5 order: a conj?: 1 aromatic?: 1 126: 5 5->6 order: a conj?: 1 aromatic?: 1 126: 6 6->7 order: a conj?: 1 aromatic?: 1 126: 7 7->8 order: a conj?: 1 aromatic?: 1 126: 8 8->9 order: a conj?: 1 aromatic?: 1 126: 9 9->10 order: 1 conj?: 1 126: 10 9->0 order: a conj?: 1 aromatic?: 1 126: 11 8->4 order: a conj?: 1 aromatic?: 1 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: 126: 126: 126: 126: 126: 126: 126: 126: ------------------- 126: 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Morgan Fingerprints. 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Morgan Fingerprints using fromAtoms argument. 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Morgan Fingerprints as bit vects. 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Morgan Fingerprints with feature invariants. 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test additional Morgan fingerprints options. 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Atom Codes. 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Atom Pairs. 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Atom Pairs part 2. 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Topological Torsions. 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Bulk Topological Torsions. 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 115: =>start test 1 WHIM custom 115: [02:22:54] test on : 365 molecules done 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 123: Warning: Atom Count for residue ASN39A does not match expected count 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 125: ........ 125: ---------------------------------------------------------------------- 125: Ran 8 tests in 0.208s 125: 125: OK 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Hashed Atom Pairs. 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Hashed torsions. 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Rooted Atom Pairs. 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test ignoring atoms in Atom Pairs. 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Rooted Topological Torsions. 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test ignoring atoms in Topological Torsions. 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test atom info from morgan fingerprints. 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test atom info from morgan fingerprints including Info Redundant Environments. 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] ------------------------------------- 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] ------------------------------------- 126: [02:22:54] ------------------------------------- 126: [02:22:54] ------------------------------------- 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Atom Pairs including info about chirality. 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test Topological Torsions including info about chirality. 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test GitHub Issue 25: fingerprint backwards compatibility. 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test GitHub Issue 151: PatternFingerprint problems 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test 3D atom pairs. 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule 126: [02:22:54] done 126: [02:22:54] ------------------------------------- 126: [02:22:54] Test multithreading with the pattern FP 126: reading molecules 126: pass 1 126: launch :0 126: launch :1 126: launch :2 126: launch :3 123: Warning: Atom Count for residue GLU53A does not match expected count 115/230 Test #125: pyMolDescriptors3D ..................... Passed 0.80 sec test 127 Start 127: testMHFPFingerprint 127: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testMHFPFingerprint 127: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints 127: Test timeout computed to be: 1500 124: Warning: Atom Count for residue ASN39A does not match expected count 127: [02:22:54] ------------------------------------- 127: [02:22:54] Test MHFP fingerprint encoder initialization 127: [02:22:54] done 127: [02:22:54] ------------------------------------- 127: [02:22:54] Test MHFP shingling creation 127: [02:22:54] done 127: [02:22:54] ------------------------------------- 127: [02:22:54] Test MHFP hashing of string and uint arrays 127: [02:22:54] done 127: [02:22:54] ------------------------------------- 127: [02:22:54] Test SECFP fingerprint functionality 123: Warning: Atom Count for residue ARG64A does not match expected count 127: [02:22:54] done 116/230 Test #127: testMHFPFingerprint .................... Passed 0.09 sec test 128 Start 128: testFingerprintGenerators 128: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprintGenerators 128: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints 128: Test timeout computed to be: 1500 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test atom-pair fp generator 126: pass 2 126: launch :0 126: launch :1 126: launch :2 126: launch :3 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test atom-pair fp generator with different arguments 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation 128: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 128: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 128: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 128: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 128: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 128: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 128: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 128: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 128: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 128: [02:22:54] DEPRECATION WARNING: please use AtomPairGenerator 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test atom-pair additional output 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test Folded Atom Pairs. 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test Rooted Atom Pairs. 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test ignoring atoms in Atom Pairs. 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test Atom Pairs including info about chirality. 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test Morgan Fingerprints. 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test morgan fp generator 124: Warning: Atom Count for residue GLU53A does not match expected count 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test Morgan Fingerprints using fromAtoms argument. 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test Morgan Fingerprints as bit vects. 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test Morgan Fingerprints with feature invariants. 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test additional Morgan fingerprints options. 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Single atoms setting radius 1 bits in Morgan fingerprints 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test different invariant generator combinations 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test invariant overriding 128: [02:22:54] done 128: [02:22:54] ------------------------------------- 128: [02:22:54] Test RDKit fp generator 124: Warning: Atom Count for residue ARG64A does not match expected count 123: Warning: Atom Count for residue LYS80A does not match expected count 124: Warning: Atom Count for residue LYS80A does not match expected count 128: [02:22:55] done 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test unfolded version of RDKFP 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test topological torsion fp generator 128: [02:22:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator 128: [02:22:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator 128: [02:22:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator 128: [02:22:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator 128: [02:22:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator 128: [02:22:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator 128: [02:22:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator 128: [02:22:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator 128: [02:22:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator 128: [02:22:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator 128: [02:22:55] done 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test Topological Torsions. 128: [02:22:55] done 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test Folded torsions. 128: [02:22:55] done 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test Bulk Topological Torsions. 128: [02:22:55] done 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test Rooted Topological Torsions. 128: [02:22:55] done 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test ignoring atoms in Topological Torsions. 128: [02:22:55] done 128: [02:22:55] ------------------------------------- 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test Topological Torsions including info about chirality. 128: [02:22:55] done 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test GitHub Issue 25: fingerprint backwards compatibility. 128: [02:22:55] done 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP. 128: [02:22:55] done 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811 128: [02:22:55] done 128: [02:22:55] ------------------------------------- 128: [02:22:55] Test convenience and bulk fp calculation functions 120: =>start test GETAWAY 120: [02:22:55] test on : 365 molecules done 117/230 Test #120: testGETAWAY ............................ Passed 2.36 sec test 129 Start 129: fpTestCatch 129: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/fpTestCatch 129: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints 129: Test timeout computed to be: 1500 129: Randomness seeded to: 272994961 129: =============================================================================== 129: All tests passed (188 assertions in 16 test cases) 129: 118/230 Test #129: fpTestCatch ............................ Passed 0.03 sec test 130 Start 130: fpGenTestCatch 130: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/fpGenTestCatch 130: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints 130: Test timeout computed to be: 1500 130: Randomness seeded to: 1276602515 130: =============================================================================== 130: All tests passed (2692 assertions in 5 test cases) 130: 119/230 Test #130: fpGenTestCatch ......................... Passed 0.16 sec test 131 Start 131: pyTestGenerator 131: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/Wrap/testGenerators.py" 131: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap 131: Test timeout computed to be: 1500 93: 0,0 0 93: 0,1 0 93: 1,0 0 93: 1,1 0 93: 2,0 0 93: 2,1 0 120/230 Test #93: testEnumeration ........................ Passed 6.63 sec test 132 Start 132: pyTestMHFP 132: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Fingerprints/Wrap/testMHFP.py" 132: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap 132: Test timeout computed to be: 1500 124: Warning: Atom Count for residue GLU150A does not match expected count 124: Warning: Atom Count for residue ASN157A does not match expected count 128: [02:22:56] done 128: [02:22:56] ------------------------------------- 128: [02:22:56] Test GitHub Issue #6958 128: [02:22:56] DEPRECATION WARNING: please use AtomPairGenerator 121/230 Test #128: testFingerprintGenerators .............. Passed 1.34 sec test 133 Start 133: testPartialCharges 133: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/testPartialCharges 133: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges 133: Test timeout computed to be: 1500 123: Warning: Atom Count for residue GLU150A does not match expected count 122/230 Test #133: testPartialCharges ..................... Passed 0.04 sec test 134 Start 134: pyPartialCharges 134: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py" 134: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap 134: Test timeout computed to be: 1500 123: Warning: Atom Count for residue ASN157A does not match expected count 132: .. 132: ---------------------------------------------------------------------- 132: Ran 2 tests in 0.039s 132: 132: OK 131: .............. 131: ---------------------------------------------------------------------- 131: Ran 14 tests in 0.301s 131: 131: OK 79: =============================================================================== 79: All tests passed (1586 assertions in 98 test cases) 79: 123/230 Test #79: fileParsersCatchTest ................... Passed 8.30 sec test 135 Start 135: testMolTransforms 135: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/testMolTransforms 135: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms 135: Test timeout computed to be: 1500 124/230 Test #132: pyTestMHFP ............................. Passed 0.60 sec test 136 Start 136: molTransformsTestCatch 136: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/molTransformsTestCatch 136: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms 136: Test timeout computed to be: 1500 136: Randomness seeded to: 2750507485 136: =============================================================================== 136: All tests passed (4 assertions in 1 test case) 136: 135: *********************************************************** 135: Testing MolTransforms 135: --------------------------------- 135: test1Canonicalization 135: 135: --------------------------------- 135: testGetSetBondLength 135: 135: --------------------------------- 135: testGetSetAngle 135: 135: --------------------------------- 135: testGetSetDihedral 135: 135: --------------------------------- 135: testGetSetDihedralThroughTripleBond 135: 135: --------------------------------- 135: testGithub1262: PMI descriptors incorrect 135: 135: --------------------------------- 135: testGithub1908: CanonicalizeMol() distorting bond lengths 135: 135: --------------------------------- 135: testGithub4302: native computeCanonicalTransform() generates non-canonical coords 135: 135: --------------------------------- 135: testWeightedCentroid 135: 135: *********************************************************** 125/230 Test #135: testMolTransforms ...................... Passed 0.05 sec test 137 Start 137: pyMolTransforms 137: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py" 137: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap 137: Test timeout computed to be: 1500 126/230 Test #131: pyTestGenerator ........................ Passed 0.92 sec 127/230 Test #136: molTransformsTestCatch ................. Passed 0.06 sec test 138 Start 138: forceFieldHelpersCatch 138: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/forceFieldHelpersCatch 138: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers 138: Test timeout computed to be: 1500 test 139 Start 139: testMMFFForceFieldHelpers 139: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers 139: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF 139: Test timeout computed to be: 1500 138: Randomness seeded to: 3188146624 138: =============================================================================== 138: All tests passed (11 assertions in 1 test case) 138: 128/230 Test #138: forceFieldHelpersCatch ................. Passed 0.04 sec test 140 Start 140: testMMFFForceFieldHelpersMultiThread 140: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpersMultiThread 140: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF 140: Test timeout computed to be: 1500 139: [02:22:56] ------------------------------------- 139: [02:22:56] Test MMFF atom types. 140: [02:22:56] ------------------------------------- 140: [02:22:56] Test MMFF multithreading 139: [02:22:56] done 139: [02:22:56] ------------------------------------- 139: [02:22:56] Testing MMFF builder tools. 139: [02:22:56] done 139: [02:22:56] ------------------------------------- 139: [02:22:56] Testing MMFF builder+minimization. 134: ....... 134: ---------------------------------------------------------------------- 134: Ran 7 tests in 0.105s 134: 134: OK 140: processing 140: launch :0 140: launch :1 140: launch :2 140: launch :3 140: launch :4 140: launch :5 140: launch :6 140: launch :7 140: launch :8 140: launch :9 140: launch :10 140: launch :11 140: launch :12 140: launch :13 140: launch :14 140: launch :15 140: launch :16 140: launch :17 140: launch :18 140: launch :19 140: launch :20 140: launch :21 140: launch :22 140: launch :23 139: [02:22:56] done 139: [02:22:56] ------------------------------------- 139: [02:22:56] Testing Issue239. 139: [02:22:56] done 139: [02:22:56] ------------------------------------- 139: [02:22:56] Testing calcEnergy with passed coords. 139: [02:22:56] done 139: [02:22:56] ------------------------------------- 139: [02:22:56] Testing calcGrad. 139: [02:22:56] done 139: [02:22:56] ------------------------------------- 139: [02:22:56] Testing Issue242. 129/230 Test #134: pyPartialCharges ....................... Passed 0.71 sec test 141 Start 141: testUFFForceFieldHelpers 141: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers 141: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF 141: Test timeout computed to be: 1500 139: [02:22:57] done 139: [02:22:57] ------------------------------------- 139: [02:22:57] Testing github 308: crash during MMFF parameterization . 139: [02:22:57] ------------------------------------- 139: [02:22:57] Testing SFIssue1653802. 139: [02:22:57] done 139: [02:22:57] ------------------------------------- 139: [02:22:57] Testing SFIssue2378119. 139: [02:22:57] done 139: [02:22:57] ------------------------------------- 139: [02:22:57] Test MMFF force-field parameter getters. 139: [02:22:57] ------------------------------------- 139: [02:22:57] Test MMFF multithreading 141: [02:22:57] ------------------------------------- 141: [02:22:57] Test UFF atom labels. 139: generating reference data 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Test UFF atom typer. 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Testing UFF builder tools. 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Testing UFF builder+minimization. 27: Checking against /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Testing UFF special cases. 141: [02:22:57] UFFTYPER: Unrecognized charge state for atom: 0 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Testing Issue239. 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Testing calcEnergy with passed coords. 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Testing calcGrad. 137: ........ 137: ---------------------------------------------------------------------- 137: Ran 8 tests in 0.204s 137: 137: OK 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Testing SFIssue1653802. 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Testing SFIssue2378119. 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Test UFF force-field parameter getters. 141: [02:22:57] ------------------------------------- 141: [02:22:57] Testing handling missing parameters. 141: [02:22:57] UFFTYPER: Unrecognized hybridization for atom: 0 141: [02:22:57] UFFTYPER: Unrecognized atom type: Cu+1 (0) 141: [02:22:57] UFFTYPER: Unrecognized hybridization for atom: 0 141: [02:22:57] UFFTYPER: Unrecognized atom type: Cu+1 (0) 140: done 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Testing SFIssue3009337. 141: [02:22:57] done 141: [02:22:57] ------------------------------------- 141: [02:22:57] Test UFF multithreading 140: [02:22:57] done 27: All 191 tests passed 141: generating reference data 115: =>start test GETAWAY custom 115: [02:22:57] test on : 365 molecules done 130/230 Test #115: testRDFcustom .......................... Passed 5.28 sec test 142 Start 142: testCrystalForceField 142: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField 142: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF 142: Test timeout computed to be: 1500 131/230 Test #140: testMMFFForceFieldHelpersMultiThread ... Passed 0.64 sec test 143 Start 143: pyForceFieldHelpers 143: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py" 143: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap 143: Test timeout computed to be: 1500 142: ------------------------------------- 142: Test CrystalFF torsional term. 132/230 Test #137: pyMolTransforms ........................ Passed 0.72 sec test 144 Start 144: testDistGeomHelpers 144: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers 144: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers 144: Test timeout computed to be: 1500 27: 27: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi... 144: [02:22:57] ******************************************************** 144: [02:22:57] Testing DistGeomHelpers 144: [02:22:57] --------------------------------- 144: [02:22:57] test2 144: 144: go 144: ------------------------------------- 144: 139: processing 139: launch :0 139: launch :1 139: launch :2 139: launch :3 139: [02:22:57] Rep: 0 Mol:1 139: [02:22:57] Rep: 0 Mol:5 139: [02:22:57] Rep: 0 Mol:2 139: [02:22:57] Rep: 0 Mol:0 139: [02:22:57] Rep: 0 Mol:3 139: [02:22:57] Rep: 0 Mol:9 139: [02:22:57] Rep: 0 Mol:13 139: [02:22:57] Rep: 0 Mol:17 133/230 Test #142: testCrystalForceField .................. Passed 0.20 sec test 145 Start 145: distGeomHelpersCatch 145: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch 145: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers 145: Test timeout computed to be: 1500 139: [02:22:57] Rep: 0 Mol:4 139: [02:22:57] Rep: 0 Mol:21 139: [02:22:57] Rep: 0 Mol:25 145: Randomness seeded to: 3063908466 139: [02:22:57] Rep: 0 Mol:29 139: [02:22:57] Rep: 0 Mol:6 139: [02:22:57] Rep: 0 Mol:10 139: [02:22:57] Rep: 0 Mol:8 145: [02:22:57] [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)] 145: [02:22:57] [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)] 139: [02:22:57] Rep: 0 Mol:12 145: [02:22:57] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 145: [02:22:57] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 145: [02:22:57] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 139: [02:22:57] Rep: 0 Mol:7 139: [02:22:57] Rep: 0 Mol:11 145: [02:22:57] [$([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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 91 90 92 93, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 139: [02:22:57] Rep: 0 Mol:16 145: [02:22:57] 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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [!#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)] 145: [02:22:57] [!#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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: ----------- 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [$([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)] 145: [02:22:57] [$([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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 145: [02:22:57] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 145: [02:22:57] 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)] 145: [02:22:57] 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)] 145: [02:22:57] [!#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)] 145: [02:22:57] [!#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)] 145: [02:22:57] [!#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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 139: [02:22:57] Rep: 0 Mol:15 139: [02:22:57] Rep: 0 Mol:19 145: ----------- 145: [02:22:57] [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)] 145: [02:22:57] [$([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)] 145: [02:22:57] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 145: [02:22:57] 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)] 145: ----------- 145: ----------- 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 145: [02:22:57] [$(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)] 139: [02:22:57] Rep: 0 Mol:20 139: [02:22:57] Rep: 0 Mol:23 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 145: [02:22:57] [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)] 139: [02:22:57] Rep: 0 Mol:27 139: [02:22:57] Rep: 0 Mol:31 141: processing 141: launch :0 141: launch :1 141: launch :2 141: launch :3 141: [02:22:57] Rep: 0 Mol:3 141: [02:22:57] Rep: 0 Mol:0 141: [02:22:57] Rep: 0 Mol:4 139: [02:22:57] Rep: 0 Mol:24 141: [02:22:57] Rep: 0 Mol:1 141: [02:22:57] Rep: 0 Mol:5 141: [02:22:57] Rep: 0 Mol:9 141: [02:22:57] Rep: 0 Mol:13 141: [02:22:57] Rep: 0 Mol:2 141: [02:22:57] Rep: 0 Mol:8 141: [02:22:57] Rep: 0 Mol:17 139: [02:22:57] Rep: 0 Mol:28 141: [02:22:57] Rep: 0 Mol:7 141: [02:22:57] Rep: 0 Mol:12 141: [02:22:57] Rep: 0 Mol:11 141: [02:22:57] Rep: 0 Mol:16 141: [02:22:57] Rep: 0 Mol:15 141: [02:22:57] Rep: 0 Mol:19 141: [02:22:57] Rep: 0 Mol:20 141: [02:22:57] Rep: 0 Mol:23 141: [02:22:57] Rep: 0 Mol:27 141: [02:22:57] Rep: 0 Mol:6 139: [02:22:57] Rep: 20 Mol:1 139: [02:22:57] Rep: 20 Mol:5 139: [02:22:57] Rep: 20 Mol:9 139: [02:22:57] Rep: 20 Mol:13 139: [02:22:57] Rep: 20 Mol:17 139: [02:22:57] Rep: 0 Mol:14 139: [02:22:57] Rep: 20 Mol:21 139: [02:22:57] Rep: 20 Mol:25 139: [02:22:57] Rep: 20 Mol:29 141: [02:22:57] Rep: 0 Mol:24 141: [02:22:57] Rep: 0 Mol:28 141: [02:22:57] Rep: 0 Mol:10 141: [02:22:57] Rep: 0 Mol:21 141: [02:22:57] Rep: 0 Mol:31 141: [02:22:57] Rep: 0 Mol:25 141: [02:22:57] Rep: 0 Mol:29 139: [02:22:57] Rep: 0 Mol:18 145: [02:22:57] UFFTYPER: Unrecognized atom type: Pt5+2 (1) 141: [02:22:57] Rep: 0 Mol:14 145: [02:22:57] UFFTYPER: Unrecognized charge state for atom: 1 141: [02:22:57] Rep: 0 Mol:18 145: [02:22:57] UFFTYPER: Unrecognized charge state for atom: 1 145: [02:22:57] UFFTYPER: Unrecognized charge state for atom: 1 139: [02:22:57] Rep: 0 Mol:22 141: [02:22:57] Rep: 0 Mol:22 141: [02:22:57] Rep: 0 Mol:26 141: [02:22:57] Rep: 0 Mol:30 139: [02:22:57] Rep: 0 Mol:26 139: [02:22:58] Rep: 0 Mol:30 139: [02:22:58] Rep: 40 Mol:1 139: [02:22:58] Rep: 40 Mol:5 139: [02:22:58] Rep: 40 Mol:9 139: [02:22:58] Rep: 40 Mol:13 139: [02:22:58] Rep: 40 Mol:17 139: [02:22:58] Rep: 40 Mol:21 139: [02:22:58] Rep: 40 Mol:25 139: [02:22:58] Rep: 40 Mol:29 145: [02:22:58] UFFTYPER: Unrecognized charge state for atom: 5 145: [02:22:58] UFFTYPER: Unrecognized charge state for atom: 5 145: [02:22:58] UFFTYPER: Unrecognized charge state for atom: 5 145: [02:22:58] UFFTYPER: Unrecognized charge state for atom: 6 145: [02:22:58] UFFTYPER: Unrecognized charge state for atom: 6 139: [02:22:58] Rep: 20 Mol:3 139: [02:22:58] Rep: 20 Mol:7 139: [02:22:58] Rep: 20 Mol:11 139: [02:22:58] Rep: 20 Mol:15 139: [02:22:58] Rep: 20 Mol:19 145: [02:22:58] UFFTYPER: Unrecognized charge state for atom: 6 139: [02:22:58] Rep: 20 Mol:23 139: [02:22:58] Rep: 20 Mol:27 139: [02:22:58] Rep: 20 Mol:31 143: [02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: ..[02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: .[02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: .[02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 139: [02:22:58] Rep: 60 Mol:1 139: [02:22:58] Rep: 60 Mol:5 139: [02:22:58] Rep: 60 Mol:9 139: [02:22:58] Rep: 60 Mol:13 139: [02:22:58] Rep: 60 Mol:17 139: [02:22:58] Rep: 60 Mol:21 139: [02:22:58] Rep: 60 Mol:25 139: [02:22:58] Rep: 60 Mol:29 139: [02:22:58] Rep: 20 Mol:0 139: [02:22:58] Rep: 20 Mol:4 139: [02:22:58] Rep: 20 Mol:8 139: [02:22:58] Rep: 20 Mol:12 139: [02:22:58] Rep: 20 Mol:16 139: [02:22:58] Rep: 20 Mol:20 141: [02:22:58] Rep: 100 Mol:3 141: [02:22:58] Rep: 100 Mol:7 141: [02:22:58] Rep: 100 Mol:11 141: [02:22:58] Rep: 100 Mol:15 141: [02:22:58] Rep: 100 Mol:19 141: [02:22:58] Rep: 100 Mol:23 139: [02:22:58] Rep: 20 Mol:24 139: [02:22:58] Rep: 20 Mol:28 143: .[02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 141: [02:22:58] Rep: 100 Mol:27 141: [02:22:58] Rep: 100 Mol:31 143: .[02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: .[02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: .[02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: .[02:22:58] UFFTYPER: Unrecognized hybridization for atom: 0 143: [02:22:58] UFFTYPER: Unrecognized atom type: Cu+1 (0) 143: .[02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: .[02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: .[02:22:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: .[02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: ...[02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 143: [02:22:58] Molecule does not have explicit Hs. Consider calling AddHs() 141: [02:22:58] Rep: 100 Mol:0 141: [02:22:58] Rep: 100 Mol:4 141: [02:22:58] Rep: 100 Mol:8 141: [02:22:58] Rep: 100 Mol:12 141: [02:22:58] Rep: 100 Mol:16 141: [02:22:58] Rep: 100 Mol:20 141: [02:22:58] Rep: 100 Mol:24 141: [02:22:58] Rep: 100 Mol:28 139: [02:22:58] Rep: 40 Mol:3 139: [02:22:58] Rep: 40 Mol:7 141: [02:22:58] Rep: 100 Mol:1 141: [02:22:58] Rep: 100 Mol:5 141: [02:22:58] Rep: 100 Mol:9 141: [02:22:58] Rep: 100 Mol:13 143: ... 143: ---------------------------------------------------------------------- 143: Ran 19 tests in 0.319s 143: 143: OK 141: [02:22:58] Rep: 100 Mol:17 141: [02:22:58] Rep: 100 Mol:21 141: [02:22:58] Rep: 100 Mol:25 141: [02:22:58] Rep: 100 Mol:29 139: [02:22:58] Rep: 40 Mol:11 139: [02:22:58] Rep: 40 Mol:15 139: [02:22:58] Rep: 40 Mol:19 139: [02:22:58] Rep: 40 Mol:23 139: [02:22:58] Rep: 40 Mol:27 139: [02:22:58] Rep: 40 Mol:31 139: [02:22:58] Rep: 20 Mol:2 139: [02:22:58] Rep: 20 Mol:6 139: [02:22:58] Rep: 20 Mol:10 139: [02:22:58] Rep: 20 Mol:14 139: [02:22:58] Rep: 20 Mol:18 139: [02:22:58] Rep: 20 Mol:22 139: [02:22:58] Rep: 20 Mol:26 139: [02:22:58] Rep: 20 Mol:30 139: [02:22:58] Rep: 80 Mol:1 139: [02:22:58] Rep: 80 Mol:5 139: [02:22:58] Rep: 80 Mol:9 139: [02:22:58] Rep: 80 Mol:13 139: [02:22:58] Rep: 80 Mol:17 139: [02:22:58] Rep: 80 Mol:21 139: [02:22:58] Rep: 80 Mol:25 139: [02:22:58] Rep: 80 Mol:29 139: [02:22:58] Rep: 40 Mol:0 139: [02:22:58] Rep: 40 Mol:4 139: [02:22:58] Rep: 40 Mol:8 139: [02:22:58] Rep: 40 Mol:12 139: [02:22:58] Rep: 40 Mol:16 139: [02:22:58] Rep: 40 Mol:20 139: [02:22:58] Rep: 40 Mol:24 139: [02:22:58] Rep: 40 Mol:28 134/230 Test #143: pyForceFieldHelpers .................... Passed 1.30 sec test 146 Start 146: pyDistGeomHelpers 146: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py" 146: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap 146: Test timeout computed to be: 1500 139: [02:22:58] Rep: 60 Mol:3 139: [02:22:58] Rep: 60 Mol:7 139: [02:22:58] Rep: 60 Mol:11 139: [02:22:58] Rep: 60 Mol:15 139: [02:22:58] Rep: 60 Mol:19 139: [02:22:58] Rep: 60 Mol:23 139: [02:22:58] Rep: 60 Mol:27 139: [02:22:58] Rep: 60 Mol:31 145: [02:22:59] UFFTYPER: Warning: hybridization set to SP3 for atom 6 141: [02:22:59] Rep: 100 Mol:2 141: [02:22:59] Rep: 100 Mol:6 141: [02:22:59] Rep: 100 Mol:10 141: [02:22:59] Rep: 100 Mol:14 141: [02:22:59] Rep: 100 Mol:18 141: [02:22:59] Rep: 100 Mol:22 141: [02:22:59] Rep: 100 Mol:26 141: [02:22:59] Rep: 100 Mol:30 50: Randomness seeded to: 3503046925 50: =============================================================================== 50: All tests passed (14835 assertions in 14 test cases) 50: 135/230 Test #50: canonTestsCatch ........................ Passed 12.84 sec test 147 Start 147: testMolAlign 147: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/testMolAlign 147: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign 147: Test timeout computed to be: 1500 145: [02:22:59] UFFTYPER: Warning: hybridization set to SP3 for atom 6 139: [02:22:59] Rep: 60 Mol:0 139: [02:22:59] Rep: 60 Mol:4 124: Warning: Atom Count for residue GLU5A does not match expected count 124: Warning: Atom Count for residue ASN39A does not match expected count 124: Warning: Atom Count for residue GLU53A does not match expected count 124: Warning: Atom Count for residue ARG64A does not match expected count 124: Warning: Atom Count for residue LYS80A does not match expected count 139: [02:22:59] Rep: 80 Mol:3 139: [02:22:59] Rep: 80 Mol:7 139: [02:22:59] Rep: 80 Mol:11 139: [02:22:59] Rep: 80 Mol:15 139: [02:22:59] Rep: 80 Mol:19 139: [02:22:59] Rep: 80 Mol:23 139: [02:22:59] Rep: 80 Mol:27 139: [02:22:59] Rep: 80 Mol:31 124: Warning: Atom Count for residue GLU150A does not match expected count 124: Warning: Atom Count for residue ASN157A does not match expected count 139: [02:22:59] Rep: 60 Mol:8 139: [02:22:59] Rep: 60 Mol:12 139: [02:22:59] Rep: 60 Mol:16 139: [02:22:59] Rep: 60 Mol:20 139: [02:22:59] Rep: 60 Mol:24 139: [02:22:59] Rep: 60 Mol:28 139: [02:22:59] Rep: 40 Mol:2 139: [02:22:59] Rep: 40 Mol:6 139: [02:22:59] Rep: 40 Mol:10 139: [02:22:59] Rep: 40 Mol:14 139: [02:22:59] Rep: 40 Mol:18 139: [02:22:59] Rep: 40 Mol:22 124: .[02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: .[02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: ..[02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 124: .[02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: ...[02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 124: [02:22:59] DEPRECATION WARNING: please use MorganGenerator 139: [02:22:59] Rep: 40 Mol:26 139: [02:22:59] Rep: 40 Mol:30 124: ....[02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 124: ....[02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 124: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 124: .[02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: ..[02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: .[02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 124: ... 124: ---------------------------------------------------------------------- 124: Ran 31 tests in 4.780s 124: 124: OK 124: exactmw 78.046950192 124: amw 78.11399999999999 124: lipinskiHBA 0.0 124: lipinskiHBD 0.0 124: NumRotatableBonds 0.0 124: NumHBD 0.0 124: NumHBA 0.0 124: NumHeavyAtoms 6.0 124: NumAtoms 6.0 124: NumHeteroatoms 0.0 124: NumAmideBonds 0.0 124: FractionCSP3 0.0 124: NumRings 1.0 124: NumAromaticRings 1.0 124: NumAliphaticRings 0.0 124: NumSaturatedRings 0.0 124: NumHeterocycles 0.0 124: NumAromaticHeterocycles 0.0 124: NumSaturatedHeterocycles 0.0 124: NumAliphaticHeterocycles 0.0 124: NumSpiroAtoms 0.0 124: NumBridgeheadAtoms 0.0 124: NumAtomStereoCenters 0.0 124: NumUnspecifiedAtomStereoCenters 0.0 124: labuteASA 37.43140311949697 124: tpsa 0.0 124: CrippenClogP 1.6866 124: CrippenMR 26.441999999999993 124: chi0v 3.464101615137755 124: chi1v 2.0000000000000004 124: chi2v 0.6666666666666671 124: chi3v 0.6666666666666671 124: chi4v 0.38490017945975075 124: chi0n 3.464101615137755 124: chi1n 2.0000000000000004 124: chi2n 0.6666666666666671 124: chi3n 0.6666666666666671 124: chi4n 0.38490017945975075 124: hallKierAlpha -0.78 124: kappa1 3.4115708812260532 124: kappa2 1.6057694396735218 124: kappa3 0.5823992601400448 124: Phi 0.9130327103921437 124: exactmw 78.046950192 124: lipinskiHBA 0.0 145: [02:22:59] UFFTYPER: Warning: hybridization set to SP3 for atom 6 136/230 Test #124: pyMolDescriptors ....................... Passed 5.46 sec test 148 Start 148: testO3AAlign 148: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/testO3AAlign 148: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign 148: Test timeout computed to be: 1500 147: *********************************************************** 147: Testing MolAlign 147: --------------------------------- 147: test1MolAlign 147: 147: --------------------------------- 147: test1GetBestRMS 147: 147: --------------------------------- 147: test1MolWithQueryAlign 147: 147: --------------------------------- 147: test2AtomMap 147: 147: --------------------------------- 147: test3Weights 147: 147: --------------------------------- 147: testIssue241 147: 147: *********************************************************** 137/230 Test #147: testMolAlign ........................... Passed 0.18 sec test 149 Start 149: molAlignCatchTest 149: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/molAlignCatchTest 149: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign 149: Test timeout computed to be: 1500 145: [02:22:59] UFFTYPER: Warning: hybridization set to SP3 for atom 11 145: [02:22:59] UFFTYPER: Warning: hybridization set to SP3 for atom 11 145: [02:22:59] UFFTYPER: Warning: hybridization set to SP3 for atom 11 146: .[02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 149: Randomness seeded to: 816596561 149: 73863120 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: ..[02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: ..[02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: .[02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 149: 83959400 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 139: [02:22:59] Rep: 80 Mol:0 139: [02:22:59] Rep: 80 Mol:4 139: [02:22:59] Rep: 80 Mol:8 139: [02:22:59] Rep: 80 Mol:12 139: [02:22:59] Rep: 80 Mol:16 139: [02:22:59] Rep: 80 Mol:20 139: [02:22:59] Rep: 80 Mol:24 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 139: [02:22:59] Rep: 80 Mol:28 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 126: [02:22:59] done 126: [02:22:59] ------------------------------------- 126: [02:22:59] Test GitHub Issue 258: Bad pattern fingerprint for query molecule 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 126: [02:22:59] done 126: [02:22:59] ------------------------------------- 126: [02:22:59] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP. 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] done 126: [02:22:59] ------------------------------------- 126: [02:22:59] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints 126: [02:22:59] done 126: [02:22:59] ------------------------------------- 126: [02:22:59] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] done 126: [02:22:59] ------------------------------------- 126: [02:22:59] Test unfolded version of RDKFP 126: [02:22:59] ------------------------------------- 126: [02:22:59] Test bitinfo of RDKFP 126: 562: [ 2 ], 126: 709: [ 0 1 ], 126: 1118: [ 0 1 2 ], 126: 1183: [ 1 2 ], 126: 1233: [ 0 1 2 ], 126: 1308: [ 0 ], [ 1 ], 126: 1339: [ 2 ], 126: 1728: [ 1 2 ], 126: 1772: [ 0 ], [ 1 ], 126: 1813: [ 0 1 ], 126: ------------ 126: [02:22:59] ------------------------------------- 126: [02:22:59] Single atoms setting radius 1 bits in Morgan fingerprints 126: [02:22:59] done 126: [02:22:59] ------------------------------------- 126: [02:22:59] Github #879: Pattern fingerprint should set bits for single-atom fragments. 126: [02:22:59] done 126: [02:22:59] ------------------------------------- 126: [02:22:59] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms 126: [02:22:59] done 126: [02:22:59] ------------------------------------- 126: [02:22:59] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False 126: [02:22:59] done 126: [02:22:59] ------------------------------------- 126: [02:22:59] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use AtomPairGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] DEPRECATION WARNING: please use TopologicalTorsionGenerator 126: [02:22:59] done 126: [02:22:59] ------------------------------------- 126: [02:22:59] Github #2115: BitInfo not complete for RDKFingerprint 126: [02:22:59] done 126: [02:22:59] ------------------------------------- 126: [02:22:59] Github #3723: Fingerprint crash for mols with Zero order bonds 126: [02:22:59] done 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 139: [02:22:59] Rep: 60 Mol:2 139: [02:22:59] Rep: 60 Mol:6 139: [02:22:59] Rep: 60 Mol:10 139: [02:22:59] Rep: 60 Mol:14 139: [02:22:59] Rep: 60 Mol:18 139: [02:22:59] Rep: 60 Mol:22 139: [02:22:59] Rep: 60 Mol:26 138/230 Test #126: testFingerprints ....................... Passed 5.07 sec test 150 Start 150: pyMolAlign 150: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolAlign/Wrap/testMolAlign.py" 150: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap 150: Test timeout computed to be: 1500 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 139: [02:22:59] Rep: 60 Mol:30 141: [02:22:59] done 141: [02:22:59] ------------------------------------- 141: [02:22:59] Test UFF multithreading2 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 144: [02:22:57] --------------------------------- 144: [02:22:57] test3 144: 144: [02:22:57] --------------------------------- 144: [02:22:57] test4 144: 144: [02:22:57] --------------------------------- 144: [02:22:57] test5 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] test6 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] test15Dists 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] test Issue 215 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] testMultipleConfs 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] testMultipleConfsExpTors 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] testIssue227 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] testIssue236 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] testOrdering 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] testIssue244 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] testIssue251 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] testIssue276 144: [02:22:59] --------------------------------- 144: [02:22:59] testIssue284 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] testIssue285 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] testIssue355 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] testRandomCoords 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] test sf.net issue 1989539 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] test sf.net issue 2091864 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] test constrained embedding 144: 144: [02:22:59] ssd: 0.0752641 144: [02:22:59] ssd: 0.0659363 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:22:59] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 139: [02:23:00] Rep: 80 Mol:2 139: [02:23:00] Rep: 80 Mol:6 139: [02:23:00] Rep: 80 Mol:10 139: [02:23:00] Rep: 80 Mol:14 139: [02:23:00] Rep: 80 Mol:18 139: [02:23:00] Rep: 80 Mol:22 139: [02:23:00] Rep: 80 Mol:26 139: [02:23:00] Rep: 80 Mol:30 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 144: [02:22:59] --------------------------------- 144: [02:22:59] test sf.net issue 2091974 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] test sf.net issue 2835784 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] test sf.net issue 3019283 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] test sf.net issue 3238580 144: 144: [02:22:59] --------------------------------- 144: [02:22:59] test sf.net issue 3483968 144: 144: [02:23:00] --------------------------------- 144: [02:23:00] test github issue 55 144: 144: [02:23:00] --------------------------------- 144: [02:23:00] test1 144: 144: [02:23:00] --------------------------------- 144: [02:23:00] test multi-threading 144: 144: building molecules 144: generating reference data 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 139: [02:23:00] done 139: [02:23:00] ------------------------------------- 139: [02:23:00] Test MMFF multithreading2 146: .[02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:00] Molecule does not have explicit Hs. Consider calling AddHs() 141: [02:23:01] done 141: [02:23:01] ------------------------------------- 141: [02:23:01] Test UFF multithreading3 146: [02:23:01] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:01] Molecule does not have explicit Hs. Consider calling AddHs() 139: [02:23:01] done 139: [02:23:01] ------------------------------------- 139: [02:23:01] Test MMFF multithreading3 146: [02:23:01] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:02] Molecule does not have explicit Hs. Consider calling AddHs() 141: [02:23:02] done 141: [02:23:02] ------------------------------------- 141: [02:23:02] Testing GitHubIssue62. 141: [02:23:02] beta-lactam 39.6387 141: [02:23:02] cyclopropanone 174.698 141: [02:23:02] aziridine 337.986 141: [02:23:02] aziridinone 115.248 141: [02:23:02] isobutene 2.48217 141: [02:23:02] acetone 1.91788 141: [02:23:02] cyclopentanone 10.1648 141: [02:23:02] cyclopropene 99.4921 141: [02:23:02] cyclobutene 41.0156 141: [02:23:02] cyclopropane 267.236 141: [02:23:02] gamma-lactam 15.7471 141: [02:23:02] trans-2,3-diphenylcyclopropan-1-one 203.398 141: [02:23:02] cis-2,3-diphenylcyclopropan-1-one 206.852 141: [02:23:02] 2,3-diphenylcyclopropa-2-en-1-one 20.0443 141: [02:23:02] cyclopropylidencyclobutane 218.879 141: [02:23:02] diphenylmethylidencyclobutane 79.6139 141: [02:23:02] done 141: [02:23:02] ------------------------------------- 141: [02:23:02] Test Github Issue 613: UFF Atom type not properly assigned to lanthanides. 141: [02:23:02] done 141: [02:23:02] ------------------------------------- 141: [02:23:02] Test square planar complexes 141: [02:23:02] done 141: [02:23:02] ------------------------------------- 141: [02:23:02] Test octahedral complexes 141: [02:23:02] done 139/230 Test #141: testUFFForceFieldHelpers ............... Passed 5.71 sec test 151 Start 151: testFeatures 151: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures 151: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures 151: Test timeout computed to be: 1500 151: [02:23:02] ------------------------------------- 151: [02:23:02] AtomType parser testing. 151: [02:23:02] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103] 151: [02:23:02] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]' 151: [02:23:02] done 151: [02:23:02] ------------------------------------- 151: [02:23:02] FeatureDefinition parser testing. 151: [02:23:02] done 151: [02:23:02] ------------------------------------- 151: [02:23:02] Test pulling feat defs from a string. 151: [02:23:02] done 151: [02:23:02] ------------------------------------- 151: [02:23:02] FeatureDef functionality testing. 151: [02:23:02] done 151: [02:23:02] ------------------------------------- 151: [02:23:02] FeatureFactory testing. 151: [02:23:02] 1 151: [02:23:02] 2 151: [02:23:02] 3 151: [02:23:02] 4 151: [02:23:02] 5 151: [02:23:02] 6 151: [02:23:02] done 151: [02:23:02] ------------------------------------- 151: [02:23:02] Feature Location testing. 151: [02:23:02] done 151: [02:23:02] ------------------------------------- 151: [02:23:02] Test building a FeatureFactory from a file 151: [02:23:02] done 151: [02:23:02] ------------------------------------- 151: [02:23:02] Testing Issue 224. 151: [02:23:02] done 151: [02:23:02] ------------------------------------- 151: [02:23:02] Testing Issue 225. 151: [02:23:02] done 151: [02:23:02] ------------------------------------- 151: [02:23:02] Test Issue346 151: [02:23:02] done 151: [02:23:02] ------------------------------------- 151: [02:23:02] Test Issue347 151: [02:23:02] done 151: [02:23:02] ------------------------------------- 151: [02:23:02] Testing Issue 348. 151: [02:23:02] SMARTS Parse Error: syntax error while parsing: [C[C] 151: [02:23:02] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]' 151: [02:23:02] ------------------------------------- 151: [02:23:02] Testing Nested AtomType definitions. 151: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])] 151: [02:23:02] ------------------------------------- 151: [02:23:02] Testing Github Issue #252: crash when calling getPos() with no conformer. 151: [02:23:02] expect a precondition failure message below 151: [02:23:02] 151: 151: **** 151: Pre-condition Violation 151: molecule has no conformers 151: Violation occurred on line 37 in file ./Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp 151: Failed Expression: dp_mol->getNumConformers() 151: ---------- 151: Stacktrace: 151: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 151: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 151: 2# RDKit::MolChemicalFeature::getPos(int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1 151: 3# RDKit::MolChemicalFeature::getPos() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1 151: 4# 0x0000AAAAD1F81790 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures 151: 5# 0x0000AAAAD1F74208 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures 151: 6# 0x0000FFFF938B229C in /lib/aarch64-linux-gnu/libc.so.6 151: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 151: 8# 0x0000AAAAD1F743B0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures 151: ---------- 151: **** 151: 151: [02:23:02] Done 151: [02:23:02] ------------------------------------- 151: [02:23:02] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol() 151: [02:23:02] done 140/230 Test #151: testFeatures ........................... Passed 0.03 sec test 152 Start 152: pyChemicalFeatures 152: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py" 152: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap 152: Test timeout computed to be: 1500 149: 3673467320 27: Checking against /build/reproducible-path/rdkit-202409.2/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 139: [02:23:03] done 139: [02:23:03] ------------------------------------- 139: [02:23:03] Testing github 162: Incorrect SMILES after MMFF parameterization . 139: [02:23:03] done 139: [02:23:03] ------------------------------------- 139: [02:23:03] Testing github 224: crash during MMFF parameterization . 139: [02:23:03] done 139: [02:23:03] ------------------------------------- 139: [02:23:03] Testing github6728: crash due to missing stretch-bend params. 141/230 Test #139: testMMFFForceFieldHelpers .............. Passed 6.40 sec test 153 Start 153: testShapeHelpers 153: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/testShapeHelpers 153: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers 153: Test timeout computed to be: 1500 153: *********************************************************** 153: Testing ShapeHelpers 153: --------------------------------- 153: test1Encode 153: 153: --------------------------------- 153: test2Compare 153: 153: --------------------------------- 153: testGithub4364 153: 153: *********************************************************** 142/230 Test #153: testShapeHelpers ....................... Passed 0.05 sec test 154 Start 154: pyShapeHelpers 154: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py" 154: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap 154: Test timeout computed to be: 1500 144: validating reference data 146: [02:23:03] Molecule does not have explicit Hs. Consider calling AddHs() 152: .[02:23:03] Molecule does not have explicit Hs. Consider calling AddHs() 152: .[02:23:03] Molecule does not have explicit Hs. Consider calling AddHs() 152: ..[02:23:03] Molecule does not have explicit Hs. Consider calling AddHs() 152: .[02:23:03] Molecule does not have explicit Hs. Consider calling AddHs() 152: .[02:23:03] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ] 152: [02:23:03] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]' 152: ... 152: ---------------------------------------------------------------------- 152: Ran 9 tests in 0.128s 152: 152: OK 27: All 191 tests passed 27: done 27: ------------------------------------- 27: Unit tests for all MMFF constraint terms. 27: 10.0003 27: done 27: ------------------------------------- 27: Unit test for MMFF TorsionConstraint close to 0 degrees. 27: done 27: ------------------------------------- 27: Unit tests for copying MMFF ForceFields. 143/230 Test #152: pyChemicalFeatures ..................... Passed 0.89 sec test 155 Start 155: testMolCatalog 155: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/testMolCatalog 155: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog 155: Test timeout computed to be: 1500 27: done 27: ------------------------------------- 27: Unit test for MMFF butane scan. 144/230 Test #155: testMolCatalog ......................... Passed 0.05 sec test 156 Start 156: pyMolCatalog 156: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolCatalog/Wrap/rough_test.py" 156: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap 156: Test timeout computed to be: 1500 146: [02:23:03] Molecule does not have explicit Hs. Consider calling AddHs() 27: done 145/230 Test #27: testMMFFForceField ..................... Passed 18.40 sec test 157 Start 157: moldraw2DTest1 157: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTest1 157: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D 157: Test timeout computed to be: 1500 157: ----------------- Test 1 123: Warning: Atom Count for residue GLU5A does not match expected count 123: Warning: Atom Count for residue ASN39A does not match expected count 123: Warning: Atom Count for residue GLU53A does not match expected count 123: Warning: Atom Count for residue ARG64A does not match expected count 123: Warning: Atom Count for residue LYS80A does not match expected count 123: Warning: Atom Count for residue GLU150A does not match expected count 123: Warning: Atom Count for residue ASN157A does not match expected count 154: . 154: ---------------------------------------------------------------------- 154: Ran 1 test in 0.131s 154: 154: OK 154: Testing Shape Helpers wrapper 157: file test1_6.svg gave hash 1109656969U not the expected 2635907956U 157: Done 157: ----------------- Test 2 157: file test2_1.png gave hash 3244109893U not the expected 307437906U 156: . 156: ---------------------------------------------------------------------- 156: Ran 1 test in 0.009s 156: 156: OK 123: =============================================================================== 123: All tests passed (515 assertions in 10 test cases) 123: 146/230 Test #123: descriptorsTestCatch ................... Passed 10.33 sec test 158 Start 158: moldraw2DTestCatch 158: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D 158: Test timeout computed to be: 1500 157: file test2_2.png gave hash 1653770192U not the expected 610424244U 157: file test2_3.png gave hash 2294574389U not the expected 2179746375U 157: Done 157: ----------------- Test 4 157: file test4_1.png gave hash 1543244276U not the expected 1403972924U 157: Done 157: ----------------- Test 5 157: file test5_1.png gave hash 3301334295U not the expected 1269428339U 147/230 Test #156: pyMolCatalog ........................... Passed 0.38 sec test 159 Start 159: moldraw2DRxnTest1 159: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DRxnTest1 159: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D 159: Test timeout computed to be: 1500 157: file test5_2.png gave hash 792995950U not the expected 3073694291U 158: Randomness seeded to: 2396676435 158: file contourMol_1.svg gave hash 4125787245U not the expected 2604538953U 158: file contourMol_2.svg gave hash 2761342533U not the expected 572669511U 157: file test5_3.png gave hash 3533595670U not the expected 1865192682U 157: Done 157: ----------------- Test 6 (atom labels) 159: ----------------- Test 1 158: file contourMol_3.svg gave hash 1333854566U not the expected 936771429U 149: 867918400 149: =============================================================================== 149: All tests passed (73 assertions in 3 test cases) 149: 158: file contourMol_4.svg gave hash 4249475618U not the expected 3302971362U 157: Done 157: ----------------- Test 7 (backgrounds) 158: file contourMol_5.svg gave hash 3376179346U not the expected 2230414999U 157: file test7_1.png gave hash 2930913537U not the expected 3033050306U 159: file rxn_test1_1.png gave hash 2385318368U not the expected 1556334749U 146: [02:23:04] Molecule does not have explicit Hs. Consider calling AddHs() 157: file test7_2.png gave hash 1226546555U not the expected 3476380724U 157: Done 157: ----------------- Test8: PrepareMolDrawing 157: Done 157: ----------------- Test multi-threaded drawing 157: reading molecules 148/230 Test #149: molAlignCatchTest ...................... Passed 4.89 sec test 160 Start 160: pyMolDraw2D 160: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py" 160: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap 160: Test timeout computed to be: 1500 158: file testGithub3226_1.png gave hash 3169002270U not the expected 2350054896U 158: file testGithub3226_2.png gave hash 2453613824U not the expected 606206725U 159: file rxn_test1_2.png gave hash 2554855195U not the expected 1924084263U 159: file rxn_test1_3.png gave hash 2471407454U not the expected 1644921059U 158: file testGithub3226_3.png gave hash 2178685661U not the expected 2282880418U 158: file testPNGMetadata_1.png gave hash 1114763408U not the expected 2423299691U 159: file rxn_test1_4.png gave hash 3424511197U not the expected 2471435686U 157: generating reference drawings 159: file rxn_test1_5.png gave hash 583013587U not the expected 1428782307U 158: file testPNGMetadata_2.png gave hash 831235773U not the expected 2803353117U 159: file rxn_test1_6.png gave hash 2508294714U not the expected 483353696U 159: file rxn_test1_7.png gave hash 699575715U not the expected 528963379U 159: Done 159: ----------------- Test 2: some examples that caused problems in testing 159: file rxn_test2_1.png gave hash 1690240778U not the expected 399415052U 158: [02:23:04] Font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/ComicNeue-Regular.ttf not found. 158: [02:23:04] Falling back to original font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/Telex-Regular.ttf. 159: 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 158: file testHandDrawn-1.svg gave hash 1143910631U not the expected 2253418236U 158: [02:23:04] Font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/ComicNeue-Regular.ttf not found. 158: [02:23:04] Falling back to original font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/Telex-Regular.ttf. 159: file rxn_test2_2_1.png gave hash 3463090055U not the expected 1215378243U 159: 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 159: file rxn_test2_2_2.png gave hash 3677922459U not the expected 3645141778U 158: file testHandDrawn-1.png gave hash 3641551470U not the expected 698316547U 159: 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 159: 2 C3)c4cccc(c4Cl)Cl CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl 159: 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 159: file rxn_test2_2_3.png gave hash 95245485U not the expected 551946805U 159: 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 149/230 Test #154: pyShapeHelpers ......................... Passed 1.00 sec test 161 Start 161: testFMCS 161: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/testFMCS 161: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS 161: Test timeout computed to be: 1500 157: processing 157: launch :0 157: launch :1 157: launch :2 157: launch :3 158: [02:23:04] Font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/ComicNeue-Regular.ttf not found. 158: [02:23:04] Falling back to original font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/Telex-Regular.ttf. 158: file testHandDrawn-2.svg gave hash 700659102U not the expected 4132716144U 158: [02:23:04] Font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/ComicNeue-Regular.ttf not found. 158: [02:23:04] Falling back to original font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/Telex-Regular.ttf. 159: file rxn_test2_2_4.png gave hash 3468758430U not the expected 4234617566U 159: Done 159: ----------------- Test 3: test reactant highlighting 158: file testHandDrawn-2.png gave hash 1714651611U not the expected 1605553248U 158: [02:23:04] Font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/ComicNeue-Regular.ttf not found. 158: [02:23:04] Falling back to original font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/Telex-Regular.ttf. 158: file testHandDrawn-3.svg gave hash 2359787964U not the expected 4199337510U 158: [02:23:04] Font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/ComicNeue-Regular.ttf not found. 158: [02:23:04] Falling back to original font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/Telex-Regular.ttf. 159: file rxn_test3_1.png gave hash 2229288660U not the expected 4176857511U 158: file testHandDrawn-3.png gave hash 2770454011U not the expected 2881952238U 158: [02:23:04] Font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/ComicNeue-Regular.ttf not found. 158: [02:23:04] Falling back to original font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/Telex-Regular.ttf. 158: file testHandDrawn-4.svg gave hash 1880974760U not the expected 4197407865U 158: [02:23:04] Font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/ComicNeue-Regular.ttf not found. 158: [02:23:04] Falling back to original font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/Telex-Regular.ttf. 159: Done 159: ----------------- Test 4: some examples from SMARTS in testing 159: draw! 158: file testHandDrawn-4.png gave hash 4013133897U not the expected 3431655453U 159: file rxn_test4_1.png gave hash 1061176844U not the expected 4187207676U 159: done 146: [02:23:04] Molecule does not have explicit Hs. Consider calling AddHs() 159: file rxn_test4_2.png gave hash 3123925758U not the expected 3490081297U 159: Done 150/230 Test #159: moldraw2DRxnTest1 ...................... Passed 0.29 sec test 162 Start 162: pyFMCS 162: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/FMCS/Wrap/testFMCS.py" 162: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap 162: Test timeout computed to be: 1500 160: ...[02:23:04] Font file /build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolDraw2D/Amadeus.ttf not found. 160: [02:23:04] Falling back to original font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/Telex-Regular.ttf. 160: ..........[02:23:04] 160: 160: **** 160: Pre-condition Violation 160: molecule must not be None 160: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp 160: Failed Expression: m 160: ---------- 160: Stacktrace: 160: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 160: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 160: 2# RDKit::prepMolForDrawing(RDKit::ROMol const*, bool, bool, bool, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so 160: 3# boost::python::objects::caller_py_function_impl, boost::mpl::vector7 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so 160: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 160: 5# 0x0000FFFFAC0315C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 160: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 160: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 160: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 160: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 160: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 160: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 160: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 160: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 160: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 160: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 160: 16# 0x0000FFFFAB774180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 160: 17# 0x0000FFFFAB774118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 160: 18# 0x0000FFFFAB7740A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 160: 19# 0x0000FFFFAB774040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 160: 20# 0x0000FFFFAB773FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 160: 21# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 160: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 160: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 160: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 160: 25# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 160: 26# 0x0000FFFFAC02E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 160: 27# _PyObject_MakeTpCall in /usr/bin/python3 160: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 160: 29# 0x00000000004C3D1C in /usr/bin/python3 160: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 160: 31# _PyObject_Call_Prepend in /usr/bin/python3 160: 32# 0x000000000052608C in /usr/bin/python3 160: 33# _PyObject_MakeTpCall in /usr/bin/python3 160: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 160: 35# 0x00000000004C3D1C in /usr/bin/python3 160: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 160: 37# _PyObject_Call_Prepend in /usr/bin/python3 160: 38# 0x000000000052608C in /usr/bin/python3 160: 39# _PyObject_MakeTpCall in /usr/bin/python3 160: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 160: 41# 0x00000000004C3D1C in /usr/bin/python3 160: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 160: 43# _PyObject_Call_Prepend in /usr/bin/python3 160: 44# 0x000000000052608C in /usr/bin/python3 160: 45# _PyObject_MakeTpCall in /usr/bin/python3 160: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 160: 47# _PyObject_Call_Prepend in /usr/bin/python3 160: 48# 0x000000000051FB4C in /usr/bin/python3 160: 49# 0x000000000051B324 in /usr/bin/python3 160: 50# _PyObject_MakeTpCall in /usr/bin/python3 160: 51# _PyEval_EvalFrameDefault in /usr/bin/python3 160: 52# PyEval_EvalCode in /usr/bin/python3 160: 53# 0x0000000000595200 in /usr/bin/python3 160: 54# 0x00000000006757AC in /usr/bin/python3 160: 55# _PyRun_SimpleFileObject in /usr/bin/python3 160: 56# _PyRun_AnyFileObject in /usr/bin/python3 160: 57# Py_RunMain in /usr/bin/python3 160: 58# Py_BytesMain in /usr/bin/python3 160: 59# 0x0000FFFFAE47229C in /lib/aarch64-linux-gnu/libc.so.6 160: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 160: 61# _start in /usr/bin/python3 160: ---------- 160: **** 160: 144: processing 144: launch :0 144: launch :1 144: launch :2 144: launch :3 148: *********************************************************** 148: Testing O3AAlign 148: --------------------------------- 148: testMMFFO3A 148: 148: --------------------------------- 148: testMMFFO3A with pre-computed dmat and MolHistogram 148: 148: --------------------------------- 148: testMMFFO3A with constraints 148: 148: --------------------------------- 148: testMMFFO3A with variable weight constraints followed by local-only optimization 148: 148: --------------------------------- 148: testCrippenO3A 148: 148: --------------------------------- 148: testCrippenO3A with pre-computed dmat and MolHistogram 148: 148: --------------------------------- 148: testCrippenO3A with constraints 148: 148: --------------------------------- 148: testCrippenO3A with variable weight constraints followed by local-only optimization 148: 148: --------------------------------- 148: testMMFFO3A multithreading 148: 148: generating reference data 160: ...................... 160: ---------------------------------------------------------------------- 160: Ran 35 tests in 0.218s 160: 160: OK 160: json lasso 146: [02:23:04] Molecule does not have explicit Hs. Consider calling AddHs() 151/230 Test #160: pyMolDraw2D ............................ Passed 0.67 sec test 163 Start 163: FMCStest 163: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test/FMCStest 163: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test 163: Test timeout computed to be: 1500 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_15113.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_16613.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_30745.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_30861.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_31495.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_34869.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_36158.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_36559.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_37434.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_39147.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_43754.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_44011.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_44158.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_48076.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_48961.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_49648.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_49703.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_51128.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_51343.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_51842.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_54554.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_100_55749.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_17256.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20244.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20245.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30149.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30499.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_36186.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_39262.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_43966.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_45279.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_48029.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49064.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49801.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_50681.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_54039.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58265.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58358.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58866.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10188_60810.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21358.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21597.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30111.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30349.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31746.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31822.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_35220.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37603.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37964.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_39508.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42164.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42577.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_44072.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_45522.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46700.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46719.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46744.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_48517.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_49087.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_50034.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_51475.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53483.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53506.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_54598.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55614.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55737.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57090.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57705.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57785.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_58463.txt 163: 163: testChEMBfopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: L_Txt() chembl_II_sets/Target_no_10193_58700.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61003.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61349.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10260_38526.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10260_50778.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10260_52179.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10260_54285.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_30224.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_31222.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37349.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37369.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37465.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37541.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_38371.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44314.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44578.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_45765.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_46281.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_47928.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_50624.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51341.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51662.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51767.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53081.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53396.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53407.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_58823.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_59190.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_60672.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10280_61176.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10434_20905.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30074.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30175.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30423.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10434_31555.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10434_34878.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10434_35926.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10434_42168.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_20859.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_30060.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_30061.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_30606.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_30866.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_31249.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_34921.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_35188.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_36636.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_37466.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_39202.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_43952.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_49345.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_49591.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_49854.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_51416.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_53537.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_58879.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_60679.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_107_61269.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_20600.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_20859.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_30060.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_30606.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_30866.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_31558.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_35188.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_37466.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_43875.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_48911.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_49591.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_49854.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: no_108_57887.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_60679.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_108_6857.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_15478.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_20853.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30840.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30862.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30918.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30994.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31014.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31508.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31623.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35003.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35004.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35281.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35957.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36520.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36641.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_38586.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_44431.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_45093.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_51302.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5247.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_52937.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_57198.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5739.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_10980_6535.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20205.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20986.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_30091.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34698.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34705.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37038.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37272.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37447.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38909.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38953.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_39472.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_45825.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_47179.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49028.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49860.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_51984.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53395.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53826.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54121.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54530.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_55738.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_57725.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11140_58590.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11365_20432.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11365_30331.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11365_37956.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11365_48114.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11365_58566.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34731.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34818.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37318.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37339.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37564.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39504.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39561.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46082.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46089.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47349.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47757.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_51593.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_54754.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58262.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58958.txt 163: 163: testChEMBL_Txt(fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: ) chembl_II_sets/Target_no_114_16827.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_20503.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_20724.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_30254.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_30321.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_30572.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_31116.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_31281.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_31443.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_34747.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_34920.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_35040.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_36623.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_37136.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_37208.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_38298.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_38554.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_39088.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_39543.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_44049.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_44562.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_45180.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_45867.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_46087.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_46829.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_47546.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_48395.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_50461.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_50765.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_51669.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_52381.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_57231.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_114_58246.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11534_30999.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31021.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31650.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11534_35011.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11534_37014.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11534_44598.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11534_48446.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50614.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50615.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50618.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11534_51950.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11575_31616.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11575_38381.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11575_45757.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11575_46816.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11575_50701.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11575_54049.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11575_57890.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11575_61045.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11631_30194.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11631_31421.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11631_35538.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11631_55727.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11631_60676.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11631_61130.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_11631_6444.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_15623.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_20096.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_21591.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_30184.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_30380.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_30745.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_30861.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_31619.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_34869.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_35284.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_36158.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_36915.txt 163: 163: testChEMBL_Txfopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: t() chembl_II_sets/Target_no_121_37434.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_37541.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_37677.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_38837.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_39530.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_43793.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_44158.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_44164.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_44579.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_44593.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_44692.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_44914.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_45878.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_48050.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_48706.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_48944.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_48961.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_49880.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_50055.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_50512.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_51064.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_53537.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_55749.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_58879.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_121_6876.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12209_44664.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12209_46451.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12209_50640.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12209_56102.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12209_58015.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59089.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59092.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12209_61340.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12252_31458.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12252_38481.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12252_42104.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49475.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49933.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12252_50558.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_126_37249.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_126_39117.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_126_48227.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_126_48229.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_126_53969.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_126_54262.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_126_55353.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_126_61212.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20250.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20506.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20626.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20689.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_21358.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30158.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30349.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_34843.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_35220.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36318.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36800.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_39349.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45385.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45676.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46700.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46719.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_48517.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_52690.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_53483.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_55435.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_56102.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58015.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58375.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_1295fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: 2_58700.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_13001_16724.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_13001_2710.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_13001_30128.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_13001_31250.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_13001_35519.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_13001_36905.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_13001_46788.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_13001_4737.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_13001_55736.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_13001_57473.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_16146.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_30313.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_30539.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_30653.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_30988.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_31179.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_31339.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_3525.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_36886.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_37020.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_38128.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_43952.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_45210.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_45899.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_47889.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_51800.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_53158.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_5330.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_55648.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_56096.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_57287.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_57399.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_57606.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_58470.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_130_60894.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_15010.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_20304.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_20542.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_20788.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_21358.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_30349.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_31103.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_31764.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_31822.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_35220.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_37964.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_42164.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_44072.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_45522.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_46719.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_46744.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_48416.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_49740.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_50034.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_50640.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_53483.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_53506.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_53814.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_55435.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_56074.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_56107.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_57090.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_57705.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_57785.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_57861.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_58583.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_59089.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_15_59092.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_20600.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_30764.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_34876.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_37427.tfopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: xt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_38266.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_45283.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_46990.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_47123.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_47900.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_48050.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_48062.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_48076.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_50718.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_50972.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_51372.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_51830.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_53049.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_53505.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_54021.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_54565.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_54570.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_57666.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_57890.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_58072.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_58634.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_58643.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_59080.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_59202.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_59346.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_60379.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_60385.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_165_61098.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_17045_31154.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_17045_35648.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_17045_48914.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_17045_51975.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_17045_52435.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_17045_55790.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_17045_58958.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_17045_61146.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20191.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20562.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20606.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20607.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30003.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30402.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30726.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30924.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31457.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31460.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31600.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31620.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31640.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31782.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31797.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31829.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31856.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34690.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34691.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34694.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_35712.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37497.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37539.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48070.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48219.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48824.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48902.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_52867.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_53534.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_54570.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_58727.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60159.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60661.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_30037.txt 163: 163: testChEMBL_Txt() chefopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: mbl_II_sets/Target_no_259_34734.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_35365.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_35787.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_36793.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_37845.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_38328.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_39374.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_43936.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_44059.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_44405.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_44424.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_45166.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_46158.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_46425.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_47187.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_48435.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_48817.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_48849.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_48957.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_48965.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_49519.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_49921.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_50392.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_50972.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_52405.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_52442.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_53169.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_54640.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_57207.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_58537.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_58920.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_259_60358.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_25_16077.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_25_34943.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_25_36391.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_25_36574.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_25_52906.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_25_54642.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_16385.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_20333.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_20774.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_35825.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_37637.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_47741.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_48567.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_48841.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_49589.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_50564.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_51201.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_53150.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_55747.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_43_58276.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_20813.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_2331.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_2391.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_30374.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_30512.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_30796.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_31058.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_31450.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_36609.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_36636.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_38266.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_43800.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_47621.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_49433.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_49550.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_49865.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_51005.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_52373.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_53878.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_54554.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_57508.txtfopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_57618.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_59484.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_51_6563.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_61_16845.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_61_37106.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_61_37272.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_61_47947.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_61_50754.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_61_55800.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_61_57380.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_65_35328.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_65_36137.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_65_38826.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_65_44596.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_65_51275.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_65_55671.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_20155.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_30616.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_30653.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_30988.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_31339.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_31527.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_31631.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_36047.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_36568.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_36636.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_37020.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_38128.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_43952.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_45210.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_47889.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_51064.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_51800.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_5330.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_57508.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_58470.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_72_60894.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_20730.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_20753.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_30097.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_30663.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_35365.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_35375.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_35918.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_36010.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_36780.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_36793.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_37845.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_39110.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_39546.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_43936.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_44405.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_44424.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_44683.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_45166.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_46648.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_46986.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_47070.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_47187.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_48435.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_48817.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_49138.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_49460.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_49519.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_49532.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_49829.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_50608.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_54640.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_87_61082.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_90_15727.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_90_20155.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_90_30407.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_90_3525.txt 163: 163: testChEMBfopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: fopen testChEMBL_Txt(): No such file or directory 163: L_Txt() chembl_II_sets/Target_no_93_12377.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_93_1308.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_93_34759.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_93_35447.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_93_42214.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_93_45877.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_93_47082.txt 163: 163: testChEMBL_Txt() chembl_II_sets/Target_no_93_57082.txt 163: 163: testFileSDF_RandomSet(): benchmark/chembl13-10000-random-pairs.sdf 163: ERROR: RDKit could not load input file 163: 163: testFileSDF_RandomSet(): benchmark/chembl13_pairs.smi 163: ERROR: RDKit could not load input file 163: 163: testFileSDF_RandomSet(): benchmark/chembl13_knearest_2.smi 163: ERROR: RDKit could not load input file 163: 163: testFileSDF_RandomSet(): benchmark/chembl13_knearest_10.smi 163: ERROR: RDKit could not load input file 163: 163: testFileSDF_RandomSet(): benchmark/chembl13_knearest_100.smi 163: ERROR: RDKit could not load input file 163: 163: testFileSDF_RandomSet(): benchmark/chembl13_threshold_80.smi 163: ERROR: RDKit could not load input file 163: 163: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi 163: ERROR: RDKit could not load input file 152/230 Test #163: FMCStest ............................... Passed 0.06 sec test 164 Start 164: molHashCatchTest 164: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/molHashCatchTest 164: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolHash 164: Test timeout computed to be: 1500 164: Randomness seeded to: 1862920885 164: =============================================================================== 164: All tests passed (332 assertions in 13 test cases) 164: 153/230 Test #164: molHashCatchTest ....................... Passed 0.08 sec test 165 Start 165: pyMolHash 165: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolHash/Wrap/testMolHash.py" 165: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap 165: Test timeout computed to be: 1500 146: [02:23:05] Molecule does not have explicit Hs. Consider calling AddHs() 158: file testHandDrawn-5a.svg gave hash 2986893714U not the expected 3628607349U 158: [02:23:05] Font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/ComicNeue-Regular.ttf not found. 158: [02:23:05] Falling back to original font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/Telex-Regular.ttf. 158: file testHandDrawn-5b.svg gave hash 3461999036U not the expected 2522138089U 158: [02:23:05] Font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/ComicNeue-Regular.ttf not found. 158: [02:23:05] Falling back to original font file /build/reproducible-path/rdkit-202409.2/Data/Fonts/Telex-Regular.ttf. 158: file testHandDrawn-5.png gave hash 474833683U not the expected 3439548169U 158: file testBrackets-5a.svg gave hash 279553678U not the expected 3061667963U 158: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U 158: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U 158: file testPositionVariation-1b.svg gave hash 3055422087U not the expected 174339626U 165: .... 165: ---------------------------------------------------------------------- 165: Ran 4 tests in 0.016s 165: 165: OK 158: [02:23:05] unrecognized bond typefile testGithub2976.svg gave hash 2858811732U not the expected 2669316911U 158: file testGithub4238_1.png gave hash 457161194U not the expected 3410617836U 158: file testGithub4323_1.png gave hash 1351611338U not the expected 3723958844U 154/230 Test #165: pyMolHash .............................. Passed 0.51 sec test 166 Start 166: testMMPA 166: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/testMMPA 166: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MMPA 166: Test timeout computed to be: 1500 166: 166: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1 166: Time elapsed 0.002280 seconds 166: 1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1 166: 1: NOREF. Reference data NOT LISTED in test case. 166: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1 166: 2: NOREF. Reference data NOT LISTED in test case. 166: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:3]([NH+]1CCCC1)[*:2] 166: 3: NOREF. Reference data NOT LISTED in test case. 166: 4: res= O=C(Nc1ccccc1[*:1])[C:0]([NH+]1CCCC1)[*:2],C[*:1].C[*:2] 166: 4: NOREF. Reference data NOT LISTED in test case. 166: 5: res= O=C(Nc1ccccc1[*:1])[C:0]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2] 166: 5: NOREF. Reference data NOT LISTED in test case. 166: 6: res= C[C:0](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 166: 6: NOREF. Reference data NOT LISTED in test case. 166: 7: res= NULL,C[C:2](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1] 166: 7: NOREF. Reference data NOT LISTED in test case. 166: 8: res= O=C(N[*:3])[*:1],C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:3] 166: 8: NOREF. Reference data NOT LISTED in test case. 166: 9: res= O=C(N[*:2])[C:0]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2] 166: 9: NOREF. Reference data NOT LISTED in test case. 166: 10: res= O=C(N[*:3])[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3] 166: 10: NOREF. Reference data NOT LISTED in test case. 166: 11: res= C[C:0](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2] 166: 11: NOREF. Reference data NOT LISTED in test case. 166: 12: res= NULL,C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1] 166: 12: NOREF. Reference data NOT LISTED in test case. 166: 13: res= C1CC[NH+]([C:0]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2] 166: 13: NOREF. Reference data NOT LISTED in test case. 166: 14: res= [C:0]([*:1])([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2] 166: 14: NOREF. Reference data NOT LISTED in test case. 166: 15: res= C[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1] 166: 15: NOREF. Reference data NOT LISTED in test case. 166: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:2]([NH+]1CCCC1)[*:1] 166: 16: NOREF. Reference data NOT LISTED in test case. 166: 17: res= Cc1ccccc1NC(=O)[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 166: 17: NOREF. Reference data NOT LISTED in test case. 166: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:2](C)[*:1] 166: 18: NOREF. Reference data NOT LISTED in test case. 166: 166: --- UNMATCHED Reference RESULTS: --- 166: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1] 166: ----------------------------------- 166: Time elapsed 0.010135 seconds 166: 166: TEST 1 mol: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717 166: 1: NULL, C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O 166: 1: PASSED. matchedRefRes = 4 166: 2: O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21, C[*:1].O=C(NCCO)[*:2] 166: 2: PASSED. matchedRefRes = 1 166: 3: O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OCC[*:2] 166: 3: PASSED. matchedRefRes = 6 166: 4: O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OC[*:2] 166: 4: PASSED. matchedRefRes = 13 166: 5: O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].O[*:2] 166: 5: PASSED. matchedRefRes = 12 166: 6: NULL, Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1] 166: 6: PASSED. matchedRefRes = 10 166: 7: O=C(N[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 166: 7: NOREF. Reference data NOT LISTED in test case.O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 166: 8: O=C(NC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 166: 8: NOREF. Reference data NOT LISTED in test case.O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 166: 9: O=C(NCC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 166: 9: NOREF. Reference data NOT LISTED in test case.O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 166: 10: NULL, Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 166: 10: PASSED. matchedRefRes = 3 166: 11: C([*:1])[*:2], Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 166: 11: NOREF. Reference data NOT LISTED in test case.C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 166: 12: C(C[*:2])[*:1], Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 166: 12: PASSED. matchedRefRes = 8 166: 13: NULL, Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1] 166: 13: PASSED. matchedRefRes = 9 166: 14: C([*:1])[*:2], Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 166: 14: PASSED. matchedRefRes = 11 166: 15: NULL, Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1] 166: 15: PASSED. matchedRefRes = 2 166: 166: --- UNMATCHED Reference RESULTS: --- 166: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 166: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2] 166: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 166: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 166: ----------------------------------- 166: 166: TEST mol: ZINC21984717 Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717 166: Time elapsed 0.002052 seconds 166: 1: res= NULL,C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O 166: 1: PASSED. matchedRefRes = 4 166: 2: res= O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21,C[*:1].O=C(NCCO)[*:2] 166: 2: PASSED. matchedRefRes = 1 166: 3: res= O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OCC[*:2] 166: 3: PASSED. matchedRefRes = 6 166: 4: res= O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OC[*:2] 166: 4: PASSED. matchedRefRes = 13 166: 5: res= O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].O[*:2] 166: 5: PASSED. matchedRefRes = 12 166: 6: res= NULL,Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1] 166: 6: PASSED. matchedRefRes = 10 166: 7: res= O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 166: 7: NOREF. Reference data NOT LISTED in test case. 166: 8: res= O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 166: 8: NOREF. Reference data NOT LISTED in test case. 166: 9: res= O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 166: 9: NOREF. Reference data NOT LISTED in test case. 166: 10: res= NULL,Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 166: 10: PASSED. matchedRefRes = 3 166: 11: res= C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 166: 11: NOREF. Reference data NOT LISTED in test case. 166: 12: res= C(C[*:2])[*:1],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 166: 12: PASSED. matchedRefRes = 8 166: 13: res= NULL,Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1] 166: 13: PASSED. matchedRefRes = 9 166: 14: res= C([*:1])[*:2],Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 166: 14: PASSED. matchedRefRes = 11 166: 15: res= NULL,Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1] 166: 15: PASSED. matchedRefRes = 2 166: 166: --- UNMATCHED Reference RESULTS: --- 166: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 166: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2] 166: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 166: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 166: ----------------------------------- 166: 166: TEST mol: Case1-SIMPLE CC(N1CC1)C(=O) Case1-SIMPLE 166: Time elapsed 0.000552 seconds 166: 1: res= NULL,C[*:1].O=CC(N1CC1)[*:1] 166: 1: PASSED. matchedRefRes = 2 166: 2: res= O=CC([*:1])[*:2],C1CN1[*:2].C[*:1] 166: 2: PASSED. matchedRefRes = 3 166: 3: res= C([*:1])([*:2])[*:3],C1CN1[*:3].C[*:1].O=C[*:2] 166: 3: NOREF. Reference data NOT LISTED in test case. 166: 4: res= C1CN1C([*:1])[*:2],C[*:1].O=C[*:2] 166: 4: PASSED. matchedRefRes = 4 166: 5: res= NULL,C1CN1[*:1].CC(C=O)[*:1] 166: 5: PASSED. matchedRefRes = 5 166: 6: res= CC([*:1])[*:2],C1CN1[*:2].O=C[*:1] 166: 6: NOREF. Reference data NOT LISTED in test case. 166: 7: res= NULL,CC(N1CC1)[*:1].O=C[*:1] 166: 7: PASSED. matchedRefRes = 7 148: processing 148: launch :0 148: launch :1 148: launch :2 148: launch :3 166: 166: --- UNMATCHED Reference RESULTS: --- 166: 1: CC(N1CC1)C(=O),Case1-SIMPLE,C([*:1])([*:2])[*:3],C1CN1[*:2].C[*:1].O=C[*:3] 166: 6: CC(N1CC1)C(=O),Case1-SIMPLE,CC([*:1])[*:2],C1CN1[*:1].O=C[*:2] 166: ----------------------------------- 166: 166: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1 166: Time elapsed 0.002900 seconds 166: 1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1 166: 1: NOREF. Reference data NOT LISTED in test case. 166: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1 166: 2: NOREF. Reference data NOT LISTED in test case. 166: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:3]([NH+]1CCCC1)[*:2] 166: 3: NOREF. Reference data NOT LISTED in test case. 166: 4: res= O=C(Nc1ccccc1[*:1])[C:0]([NH+]1CCCC1)[*:2],C[*:1].C[*:2] 166: 4: NOREF. Reference data NOT LISTED in test case. 166: 5: res= O=C(Nc1ccccc1[*:1])[C:0]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2] 166: 5: NOREF. Reference data NOT LISTED in test case. 166: 6: res= C[C:0](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 166: 6: NOREF. Reference data NOT LISTED in test case. 166: 7: res= NULL,C[C:2](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1] 166: 7: NOREF. Reference data NOT LISTED in test case. 166: 8: res= O=C(N[*:3])[*:1],C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:3] 166: 8: NOREF. Reference data NOT LISTED in test case. 166: 9: res= O=C(N[*:2])[C:0]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2] 166: 9: NOREF. Reference data NOT LISTED in test case. 166: 10: res= O=C(N[*:3])[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3] 166: 10: NOREF. Reference data NOT LISTED in test case. 166: 11: res= C[C:0](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2] 166: 11: NOREF. Reference data NOT LISTED in test case. 166: 12: res= NULL,C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1] 166: 12: NOREF. Reference data NOT LISTED in test case. 166: 13: res= C1CC[NH+]([C:0]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2] 166: 13: NOREF. Reference data NOT LISTED in test case. 166: 14: res= [C:0]([*:1])([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2] 166: 14: NOREF. Reference data NOT LISTED in test case. 166: 15: res= C[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1] 166: 15: NOREF. Reference data NOT LISTED in test case. 166: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:2]([NH+]1CCCC1)[*:1] 166: 16: NOREF. Reference data NOT LISTED in test case. 166: 17: res= Cc1ccccc1NC(=O)[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 166: 17: NOREF. Reference data NOT LISTED in test case. 166: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:2](C)[*:1] 166: 18: NOREF. Reference data NOT LISTED in test case. 166: 166: --- UNMATCHED Reference RESULTS: --- 166: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1] 166: ----------------------------------- 166: 166: TEST mol: Case2 O=C(OCc1ccccc1)C(O)c1ccccc1 Case2 166: Time elapsed 0.002274 seconds 166: 1: res= NULL,O=C(O[*:1])C(O)c1ccccc1.c1ccc(C[*:1])cc1 166: 1: NOREF. Reference data NOT LISTED in test case. 166: 2: res= C([*:1])[*:2],O=C(O[*:1])C(O)c1ccccc1.c1ccc([*:2])cc1 166: 2: NOREF. Reference data NOT LISTED in test case. 166: 3: res= O=C(O[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc(C[*:2])cc1 166: 3: NOREF. Reference data NOT LISTED in test case. 166: 4: res= O=C(O[*:1])C(c1ccccc1)[*:2],O[*:2].c1ccc(C[*:1])cc1 166: 4: NOREF. Reference data NOT LISTED in test case. 166: 5: res= O=C(O[*:1])C([*:2])[*:3],O[*:2].c1ccc(C[*:1])cc1.c1ccc([*:3])cc1 166: 5: NOREF. Reference data NOT LISTED in test case. 166: 6: res= O=C(O[*:1])C(O)[*:2],c1ccc(C[*:1])cc1.c1ccc([*:2])cc1 166: 6: NOREF. Reference data NOT LISTED in test case. 166: 7: res= NULL,O=C(OC[*:1])C(O)c1ccccc1.c1ccc([*:1])cc1 166: 7: NOREF. Reference data NOT LISTED in test case. 166: 8: res= O=C(OC[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc([*:2])cc1 166: 8: NOREF. Reference data NOT LISTED in test case. 166: 9: res= O=C(OC[*:2])C(c1ccccc1)[*:1],O[*:1].c1ccc([*:2])cc1 166: 9: NOREF. Reference data NOT LISTED in test case. 166: 10: res= O=C(OC[*:2])C([*:1])[*:3],O[*:1].c1ccc([*:2])cc1.c1ccc([*:3])cc1 166: 10: NOREF. Reference data NOT LISTED in test case. 166: 11: res= O=C(OC[*:1])C(O)[*:2],c1ccc([*:1])cc1.c1ccc([*:2])cc1 166: 11: NOREF. Reference data NOT LISTED in test case. 166: 12: res= NULL,O=C(OCc1ccccc1)[*:1].OC(c1ccccc1)[*:1] 166: 12: NOREF. Reference data NOT LISTED in test case. 166: 13: res= c1ccc(C([*:1])[*:2])cc1,O=C(OCc1ccccc1)[*:1].O[*:2] 166: 13: NOREF. Reference data NOT LISTED in test case. 166: 14: res= C([*:1])([*:2])[*:3],O=C(OCc1ccccc1)[*:1].O[*:2].c1ccc([*:3])cc1 166: 14: PASSED. matchedRefRes = 1 166: 15: res= OC([*:1])[*:2],O=C(OCc1ccccc1)[*:1].c1ccc([*:2])cc1 166: 15: NOREF. Reference data NOT LISTED in test case. 166: 16: res= NULL,O=C(OCc1ccccc1)C(c1ccccc1)[*:1].O[*:1] 166: 16: NOREF. Reference data NOT LISTED in test case. 166: 17: res= O=C(OCc1ccccc1)C([*:1])[*:2],O[*:1].c1ccc([*:2])cc1 166: 17: NOREF. Reference data NOT LISTED in test case. 166: 18: res= NULL,O=C(OCc1ccccc1)C(O)[*:1].c1ccc([*:1])cc1 166: 18: NOREF. Reference data NOT LISTED in test case. 166: 166: --- ALL PASSED --- 166: ----------------------------------- 166: 5 TEST CASES FAILED 155/230 Test #166: testMMPA ............................... Passed 0.12 sec test 167 Start 167: pyMMPA 167: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MMPA/Wrap/testMMPA.py" 167: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap 167: Test timeout computed to be: 1500 158: file testGithub4323_3.png gave hash 1010250572U not the expected 2185913679U 158: [02:23:05] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered. 158: file testFlexiCanvas.2a.png gave hash 671825155U not the expected 3217758043U 158: file testFlexiCanvas.2b.png gave hash 822043607U not the expected 4070063910U 158: file testFlexiCanvas.3.svg gave hash 3867616289U not the expected 2819587550U 158: file testGithub4764.sz1.svg gave hash 2364628953U not the expected 3611125861U 158: file testGithub4764.sz2.svg gave hash 1490175526U not the expected 1936114454U 158: file testGithub4764.sz3.svg gave hash 1662881340U not the expected 2712214121U 158: file testGithub4764.sz1.png gave hash 4257427598U not the expected 98827714U 146: .[02:23:06] Molecule does not have explicit Hs. Consider calling AddHs() 158: file testGithub4764.sz2.png gave hash 3003904136U not the expected 89252465U 158: file testGithub4764.sz3.png gave hash 2973487547U not the expected 148503574U 158: file testGithub_5061.svg gave hash 4026821599U not the expected 83338095U 158: file github5383_1.svg gave hash 2761342533U not the expected 3666750661U 158: file github5383_2.svg gave hash 2560846108U not the expected 0U 158: file github5383_1.png gave hash 3989466152U not the expected 992803933U 158: file acs1996_1.png gave hash 1855954821U not the expected 2957839025U 158: file acs1996_2.svg gave hash 908745273U not the expected 1521279517U 158: file acs1996_2.png gave hash 307943157U not the expected 2664798808U 158: file acs1996_3.svg gave hash 510450189U not the expected 879041204U 158: file acs1996_5.svg gave hash 3624853279U not the expected 1680320774U 158: file acs1996_8.svg gave hash 3359655656U not the expected 2477908768U 158: file acs1996_9.svg gave hash 231896677U not the expected 3747924004U 158: file acs1996_10.svg gave hash 1008047306U not the expected 2229333301U 158: [02:23:06] 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. 158: file bond_highlights_8.svg gave hash 1272407071U not the expected 2956924065U 158: file test_github5947.svg gave hash 737562322U not the expected 3122633523U 158: file test_github6112.svg gave hash 3291975047U not the expected 3278777629U 158: file test_github6200_1.svg gave hash 1975293465U not the expected 1044179149U 158: file github6336_1.png gave hash 1930712448U not the expected 2958833204U 158: file test_github6397_2.svg gave hash 2405824082U not the expected 3422233570U 158: file test_github6397_3.svg gave hash 759740391U not the expected 3320683230U 158: file test_github6397_4.svg gave hash 2454933776U not the expected 2960192928U 158: file test_github6397_5.svg gave hash 1843492326U not the expected 1245534660U 158: file github6504_1.svg gave hash 3649936662U not the expected 1429448598U 158: file github6504_2.svg gave hash 106020287U not the expected 2871662880U 158: file github6569_1.svg gave hash 1698514747U not the expected 116573839U 158: file github6569_2.svg gave hash 2778768241U not the expected 2367779037U 158: file AtropCanon1.svg gave hash 818325437U not the expected 526339583U 158: file AtropManyChiralsEnhanced.svg gave hash 292902747U not the expected 348414093U 158: file testGithub6968.svg gave hash 940962291U not the expected 1554428830U 158: file testWedgeNonSingleBonds-1.svg gave hash 2116685919U not the expected 865601717U 158: file testWedgeNonSingleBonds-2.svg gave hash 1174395532U not the expected 2960559495U 158: file testWedgeNonSingleBonds-3.svg gave hash 2542970771U not the expected 1428196589U 158: file testWedgeNonSingleBonds-4.svg gave hash 700876833U not the expected 3897680387U 158: file testWedgeNonSingleBonds-5.svg gave hash 2012191155U not the expected 2183530217U 158: file testWedgeNonSingleBonds-6.svg gave hash 2517061935U not the expected 238313010U 158: file testWedgeNonSingleBonds-7.svg gave hash 157069219U not the expected 3641456570U 158: file testWedgeNonSingleBonds-8.svg gave hash 3431784338U not the expected 3209701539U 158: file testWedgingShouldBeOnSingleBond.svg gave hash 2637422009U not the expected 1002741488U 158: file testHighlightHeteroAtoms_1.svg gave hash 4006401146U not the expected 1769258632U 158: file testHighlightHeteroAtoms_2.svg gave hash 1248188292U not the expected 893937335U 158: file testGithub_7739_1.svg gave hash 233164329U not the expected 52079325U 158: file testGithub_7739_3.svg gave hash 1653424667U not the expected 1126644226U 158: file testGithub_7739_4.svg gave hash 3214282623U not the expected 9844878U 161: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds 161: Time elapsed 0.000 seconds 161: 161: test32() 161: 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 161: Time elapsed 0.063 seconds 161: 161: test190() 161: 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 161: Time elapsed 0.009 seconds 161: 161: test3() 161: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds 161: Time elapsed 0.012 seconds 161: 161: testSimpleFast() 161: 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 161: Time elapsed 0.091 seconds 161: 161: testSimple() 161: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 161: Time elapsed 0.149 seconds 161: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 161: Time elapsed 0.279 seconds 161: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 161: Time elapsed 0.225 seconds 161: 161: testSegFault() 161: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds 161: Time elapsed 0.013 seconds 161: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds 161: Time elapsed 0.027 seconds 161: 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 161: Time elapsed 0.023 seconds 161: 161: testThreshold() 161: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 161: Time elapsed 0.000 seconds 161: 161: testRing1() 161: 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 161: Time elapsed 0.676 seconds 161: 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 161: Time elapsed 0.769 seconds 161: 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 161: Time elapsed 0.815 seconds 161: 161: testAtomCompareIsotopes() 161: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds 161: Time elapsed 0.000 seconds 161: 161: testAtomCompareAnyAtom() 161: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 161: Time elapsed 0.000 seconds 161: 161: testAtomCompareAnyAtom() 161: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 161: Time elapsed 0.000 seconds 161: 161: testAtomCompareAnyAtom() 161: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds 161: Time elapsed 0.000 seconds 161: 161: testAtomCompareAnyAtom() 161: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds 161: Time elapsed 0.000 seconds 161: 161: testJnk1LigandsDistance() 161: 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 161: Time elapsed 0.005 seconds 161: 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 158: [02:23:07] 158: 158: **** 158: Pre-condition Violation 158: 158: Violation occurred on line 206 in file ./Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp 158: Failed Expression: atomIdx < atCds_.size() && atomIdx < atomLabels_.size() 158: ---------- 158: Stacktrace: 158: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 158: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 158: 2# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::calcSymbolEllipse(unsigned int, RDGeom::Point2D&, double&, double&) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeAtomHighlights(std::vector >, std::allocator > > >&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string, std::allocator > const&, std::map >, std::less, std::allocator > > > > const&, std::map >, std::less, std::allocator > > > > const&, std::map, std::allocator > > const&, std::map, std::allocator > > const&, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 8# 0x0000AAAAB8B04468 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 9# 0x0000AAAAB8BCA1AC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 10# 0x0000AAAAB8BCAB60 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 11# 0x0000AAAAB8BCAF94 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 12# 0x0000AAAAB8B9F998 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 13# 0x0000AAAAB8B9FEE4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 14# 0x0000AAAAB8AFDB10 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 15# 0x0000FFFFB142229C in /lib/aarch64-linux-gnu/libc.so.6 158: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 158: 17# 0x0000AAAAB8AFDBF0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: ---------- 158: **** 158: 158: [02:23:07] 158: 158: **** 158: Range Error 158: idx 158: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp 158: Failed Expression: 2 < 0 158: ---------- 158: Stacktrace: 158: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 158: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 158: 2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 158: 3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector >, std::allocator > > >&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string, std::allocator > const&, std::map >, std::less, std::allocator > > > > const&, std::map >, std::less, std::allocator > > > > const&, std::map, std::allocator > > const&, std::map, std::allocator > > const&, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 8# 0x0000AAAAB8B03EAC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 9# 0x0000AAAAB8BCA1AC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 10# 0x0000AAAAB8BCAB60 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 11# 0x0000AAAAB8BCAF94 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 12# 0x0000AAAAB8B9F998 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 13# 0x0000AAAAB8B9FEE4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 14# 0x0000AAAAB8AFDB10 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 15# 0x0000FFFFB142229C in /lib/aarch64-linux-gnu/libc.so.6 158: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 158: 17# 0x0000AAAAB8AFDBF0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: ---------- 158: **** 158: 158: [02:23:07] 158: 158: **** 158: Range Error 158: idx 158: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp 158: Failed Expression: 0 < 0 158: ---------- 158: Stacktrace: 158: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 158: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 158: 2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 158: 3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector >, std::allocator > > >&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string, std::allocator > const&, std::map >, std::less, std::allocator > > > > const&, std::map >, std::less, std::allocator > > > > const&, std::map, std::allocator > > const&, std::map, std::allocator > > const&, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1 158: 8# 0x0000AAAAB8B04514 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 9# 0x0000AAAAB8BCA1AC in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 10# 0x0000AAAAB8BCAB60 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 11# 0x0000AAAAB8BCAF94 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 12# 0x0000AAAAB8B9F998 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 13# 0x0000AAAAB8B9FEE4 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 14# 0x0000AAAAB8AFDB10 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: 15# 0x0000FFFFB142229C in /lib/aarch64-linux-gnu/libc.so.6 158: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 158: 17# 0x0000AAAAB8AFDBF0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 158: ---------- 158: **** 158: 158: =============================================================================== 158: All tests passed (6801 assertions in 105 test cases) 158: 156/230 Test #158: moldraw2DTestCatch ..................... Passed 3.53 sec test 168 Start 168: testRascalMCES 168: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES 168: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES 168: Test timeout computed to be: 1500 161: Time elapsed 0.001 seconds 161: 161: test18() 161: 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]1 161: 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 161: Time elapsed 0.005 seconds 161: 161: test504() 161: 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]1 161: 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 161: Time elapsed 0.149 seconds 161: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds 161: Time elapsed 0.001 seconds 161: 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 161: Time elapsed 0.038 seconds 161: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds 161: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0008 seconds. bond[0]=6 161: STATISTICS: 161: Total Growing Steps = 1, MCS found on 1 step, for 0.0008 seconds 161: Initial Seeds = 1, Mismatched 0 161: Inspected Seeds = 2 161: Rejected by BestSize = 0 161: IndividualBondExcluded = 0 161: MatchCheck Seeds = 2 161: MatchCalls = 2 161: MatchFound = 1 161: fastMatchCalls = 1 161: fastMatchFound = 0 161: slowMatchCalls = 2 161: slowMatchFound = 1 161: DupCacheFound = 0 0 matched, 0 mismatched 161: HashCache size = 1 keys 161: HashCache size = 1 entries 161: FindHashInCache = 2 161: HashFoundInCache= 0 161: ExactMatchCalls = 0 161: ExactMatchFound = 0 161: Time elapsed 0.001 seconds 161: query=OCCl SubstructMatch(useChirality=false) res =1 size=3 161: query=OCCl SubstructMatch(useChirality=true ) res =1 size=3 161: test target = O[C@H](F)CCl query = C(F)C useChirality = 0 161: res sub = 1 size=3 161: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds 161: test target = O[C@H](F)CCl query = C(F)C useChirality = 1 161: res sub = 1 size=3 161: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds 161: test target = CC[C@H](F)Cl query = CCC useChirality = 0 161: res sub = 1 size=3 161: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 161: test target = CC[C@H](F)Cl query = CCC useChirality = 1 161: res sub = 1 size=3 161: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 161: test target = CCC(F)Cl query = CC useChirality = 0 161: res sub = 1 size=2 161: MCS: [#6]-[#6] 2 atoms, 1 bonds 161: test target = CCC(F)Cl query = CC useChirality = 1 161: res sub = 1 size=2 161: MCS: [#6]-[#6] 2 atoms, 1 bonds 161: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 0 161: res sub = 1 size=4 161: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 1 161: res sub = 1 size=4 161: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 0 161: res sub = 1 size=4 161: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 1 161: res sub = 1 size=4 161: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = O[C@H](F)CCl query = CC(F)C useChirality = 0 161: res sub = 0 size=0 161: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 161: test target = O[C@H](F)CCl query = CC(F)C useChirality = 1 161: res sub = 0 size=0 161: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 161: test target = O[C@H](F)CCl query = OC(F)C useChirality = 0 161: res sub = 1 size=4 161: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = O[C@H](F)CCl query = OC(F)C useChirality = 1 161: res sub = 1 size=4 161: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 0 161: res sub = 1 size=4 161: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 1 161: res sub = 1 size=4 161: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 0 161: res sub = 1 size=4 161: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 1 161: res sub = 0 size=0 161: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 161: test target = OC(F)CCl query = OC(F)C useChirality = 0 161: res sub = 1 size=4 161: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = OC(F)CCl query = OC(F)C useChirality = 1 161: res sub = 1 size=4 161: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0 161: res sub = 1 size=4 161: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = OC(F)CCl query = O[C@H](F)C useChirality = 1 161: res sub = 0 size=0 161: MCS: [#9] 1 atoms, 0 bonds 161: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0 161: res sub = 1 size=4 161: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 161: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1 161: res sub = 0 size=0 161: MCS: [#9] 1 atoms, 0 bonds 161: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 0 161: res sub = 1 size=3 161: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 161: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 1 161: res sub = 1 size=3 161: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 161: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 0 161: res sub = 1 size=3 161: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 161: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 1 161: res sub = 1 size=3 161: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 161: 161: 0. <<<<<<<<< actual MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds >>>>>>> 161: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 0 161: res sub = 1 size=3 161: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 161: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 1 161: res sub = 1 size=3 161: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 161: done 167: ......... 167: ---------------------------------------------------------------------- 167: Ran 9 tests in 2.536s 167: 167: OK 157/230 Test #167: pyMMPA ................................. Passed 2.88 sec test 169 Start 169: testRascalCluster 169: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster 169: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES 169: Test timeout computed to be: 1500 162: ........................................[02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: [02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: [02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: .[02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: [02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: [02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: .[02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: [02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: [02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: .[02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: [02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: [02:23:09] The provided InitialSeed is not an MCS and will be ignored 162: ................. 162: ---------------------------------------------------------------------- 162: Ran 60 tests in 5.128s 162: 162: OK 158/230 Test #162: pyFMCS ................................. Passed 5.90 sec test 170 Start 170: pyRascalMCES 170: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py" 170: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap 170: Test timeout computed to be: 1500 161: [02:23:10] The provided InitialSeed is not an MCS and will be ignored 170: ..........Too many matching bond pairs (1032) so can't continue. 170: ... 170: ---------------------------------------------------------------------- 170: Ran 13 tests in 2.691s 170: 170: OK 150: .............[02:23:14] Molecule does not have explicit Hs. Consider calling AddHs() 159/230 Test #170: pyRascalMCES ........................... Passed 3.76 sec test 171 Start 171: testCIPLabeler 171: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler 171: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler 171: Test timeout computed to be: 1500 171: Randomness seeded to: 1769317468 171: [02:23:14] non kekulizable aromatic bond being treated as bond order 1 171: [02:23:14] non kekulizable aromatic bond being treated as bond order 1 171: [02:23:14] non kekulizable aromatic bond being treated as bond order 1 171: [02:23:14] non kekulizable aromatic bond being treated as bond order 1 171: [02:23:14] non kekulizable aromatic bond being treated as bond order 1 171: [02:23:14] non kekulizable aromatic bond being treated as bond order 1 150: [02:23:14] Molecule does not have explicit Hs. Consider calling AddHs() 150: [02:23:14] Molecule does not have explicit Hs. Consider calling AddHs() 150: [02:23:14] Molecule does not have explicit Hs. Consider calling AddHs() 171: [02:23:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 171: [02:23:14] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored 150: [02:23:14] Molecule does not have explicit Hs. Consider calling AddHs() 171: =============================================================================== 171: All tests passed (6572 assertions in 18 test cases) 171: 160/230 Test #171: testCIPLabeler ......................... Passed 0.34 sec test 172 Start 172: pyCIPLabelsWrapTest 172: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py" 172: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap 172: Test timeout computed to be: 1500 150: [02:23:14] Molecule does not have explicit Hs. Consider calling AddHs() 150: [02:23:14] Molecule does not have explicit Hs. Consider calling AddHs() 150: [02:23:14] Molecule does not have explicit Hs. Consider calling AddHs() 150: [02:23:14] Molecule does not have explicit Hs. Consider calling AddHs() 150: [02:23:14] Molecule does not have explicit Hs. Consider calling AddHs() 150: [02:23:14] Molecule does not have explicit Hs. Consider calling AddHs() 169: Randomness seeded to: 558098078 169: /build/reproducible-path/rdkit-202409.2/Code/GraphMol/RascalMCES/data/chembl_1907596.smi 172: .... 172: ---------------------------------------------------------------------- 172: Ran 4 tests in 0.018s 172: 172: OK 161/230 Test #172: pyCIPLabelsWrapTest .................... Passed 0.71 sec test 173 Start 173: pyCIPLabelsValidation 173: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py" 173: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap 173: Test timeout computed to be: 1500 157: Done 157: ----------------- Test Github #781: Rendering single-atom molecules 157: Done 157: ----------------- Test 3 157: file test3_1.png gave hash 3278540068U not the expected 3984824963U 157: file test3_2.png gave hash 1130921022U not the expected 238321316U 157: file test3_3.png gave hash 2572857845U not the expected 414888185U 157: file test3_3.svg gave hash 1119144208U not the expected 1375178959U 157: file test3_4.png gave hash 3104659160U not the expected 2265825690U 157: file test3_4.svg gave hash 2680534430U not the expected 187720898U 157: file test3_5.png gave hash 15529424U not the expected 1911551403U 157: file test3_5.svg gave hash 3625812711U not the expected 300865579U 157: file test3_6.png gave hash 3273898572U not the expected 577293879U 157: file test3_7.png gave hash 2925427136U not the expected 248355372U 157: Done 157: ----------------- Test Github774: upside-down drawings 157: file test774_1.png gave hash 489524868U not the expected 927423591U 157: file test774_2.png gave hash 3842522765U not the expected 1171827286U 157: Done 157: ----------------- Test 9 (molecule legends) 157: file test9_1.svg gave hash 923579170U not the expected 1484349178U 157: Done 157: ----------------- Test Github852: Lines used to wedge bonds are too thick 157: file test852_1.png gave hash 676341914U not the expected 736085072U 157: file test852_2.png gave hash 2415433851U not the expected 1438089260U 157: ---------------- 157: ---------------- 157: ---------------- 157: ---------------- 157: Done 157: ----------------- Test Github860: Atom symbols in wrong order if bond comes from right 157: file test860_1.png gave hash 2740118284U not the expected 2065140854U 157: file test860_2.png gave hash 3379344676U not the expected 3098360765U 157: file test860_3.png gave hash 4132914038U not the expected 3439618110U 157: Done 157: ----------------- Test Github #910: ugly coordinates generated for peptide chains 157: Done 157: ----------------- Test Github #932: mistake in SVG for wedged bonds 157: Done 157: ----------------- Test Github #953: default color should not be cyan 157: Done 157: ----------------- Test Github #983: wedged bonds between chiral centers drawn improperly 157: Done 157: ----------------- Test Deuterium, Tritium 157: Done 157: ----------------- Test crossed bonds 157: Done 157: ----------------- Testing drawing a second molecule 157: Done 157: ----------------- Testing drawing a grid of molecules 157: Done 157: ----------------- Testing drawMolecules 157: file test12_1.svg gave hash 2982175789U not the expected 881731720U 157: Done 157: ----------------- Test JSON Configuration 157: Done 157: ----------------- Testing github 1090: escape html characters in SVG output 157: Done 157: ----------------- Testing github 1035: overflow bug in SVG color generation 157: Done 157: ----------------- Testing github 1271: MolDraw2D not drawing anything for molecules aligned with the X or Y axes 157: Done 157: ----------------- Testing github 1322: add custom atom labels 157: Done 157: ----------------- Testing use of a black & white palette 157: Done 157: ----------------- Testing use of continuous highlighting with drawMolecules 157: Done 157: ----------------- Test 17 - Testing maximum font size 157: Done 157: ----------------- Testing github 1829: crash when drawMolecules() is called with an empty list 157: Done 157: ----------------- Testing use of fixed scales for drawing. 157: Done 157: ----------------- Testing rotation of 2D drawing. 157: Done 157: ----------------- Testing inclusion of molecule metadata 157: Done 157: ----------------- Testing Github2063: Drawing racemic bond stereo as crossed bonds should be the default 157: Done 157: ----------------- Testing Github2151: MolDraw2D: line width should be controlled by MolDrawOptions 157: file testGithub2151_1.svg gave hash 255849476U not the expected 4119581143U 157: file testGithub2151_2.svg gave hash 1195866900U not the expected 425960913U 157: Done 157: ----------------- Testing testGithub2762: MolDraw2D: HCl and ethane should be drawn 157: Done 157: ----------------- Testing testGithub2931: multi-coloured molecule highlights. 157: file testGithub2931_1.svg gave hash 608211058U not the expected 3635831631U 157: file testGithub2931_3.svg gave hash 1702246706U not the expected 2885834646U 157: Done 157: ----------------- Testing annotation of 2D Drawing. 157: file test20_1.png gave hash 1592187623U not the expected 1672353490U 157: file test20_2.png gave hash 907169708U not the expected 1073213605U 157: file test20_3.png gave hash 767784193U not the expected 471234756U 157: file test20_4.png gave hash 2725021834U not the expected 2803490234U 157: Done 157: ----------------- Test 21 - different font 157: Done 157: ----------------- Test 22 - draw explicit methyls. 157: Done 157: ----------------- Testing drawing of legends. 157: Done 157: ----------------- Test Github 3305 - change and scale line widths. 157: file testGithub3305_1.png gave hash 1899710279U not the expected 1801411420U 157: file testGithub3305_2.png gave hash 1852885355U not the expected 2904846519U 157: file testGithub3305_3.png gave hash 3405825709U not the expected 2915229647U 157: file testGithub3305_4.png gave hash 15529424U not the expected 1911551403U 157: file testGithub3305_4.svg gave hash 3625812711U not the expected 300865579U 157: file testGithub3305_5.png gave hash 865986346U not the expected 614319597U 157: file testGithub3305_5.svg gave hash 3310590632U not the expected 1335449325U 157: file testGithub3305_6.png gave hash 3045477926U not the expected 3926947401U 157: file testGithub3305_7.png gave hash 963084220U not the expected 1720405002U 157: Done 157: ----------------- Test Github 3391 - maxFontSize interacting badly with DrawMolecules. 157: Done 157: ----------------- Test Github 4156 - bad scale for radicals in grid 157: Done 157: ----------------- Test JSON atomColourPalette 157: Done 157: ----------------- Test draw aromatic OR queries 157: Done 157: ----------------- Test AND queries 157: Done 162/230 Test #157: moldraw2DTest1 ......................... Passed 13.37 sec test 174 Start 174: deprotectTest 174: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/deprotectTest 174: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect 174: Test timeout computed to be: 1500 174: Randomness seeded to: 519068935 174: =============================================================================== 174: All tests passed (111 assertions in 3 test cases) 174: 163/230 Test #174: deprotectTest .......................... Passed 0.07 sec test 175 Start 175: pyDeprotect 175: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Deprotect/Wrap/rough_test.py" 175: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap 175: Test timeout computed to be: 1500 175: ..... 175: ---------------------------------------------------------------------- 175: Ran 5 tests in 0.022s 175: 175: OK 175: Testing tert-butyldimethylsilyl 175: Testing methoxytrityl 175: Testing tetrahydropyranyl 175: Testing methoxymethyl_ether 175: Testing beta-Methoxyethoxymethyl_ether 175: Testing benzyl 175: Testing trimethylsilyl 175: Testing benzoyl 175: Testing pivaloyl 175: Testing triisopropylsilyl 175: Testing acetyl 175: Testing para-methoxybenzyl_ether 175: Testing triphenylmethyl 175: Testing phthaloyl 175: Testing trimethylsilylethoxymethyl 175: Testing para-methoxyphenyl 175: Testing tosyl 175: Testing tert-butyloxycarbonyl 175: Testing trifluoroacetyl 175: Testing benzoyl 175: Testing 9-fluorenylmethyloxycarbonyl 175: Testing benzylamine 175: Testing acetamide 175: Testing carbobenzyloxy 175: Testing Acetal/Ketal 175: Testing tert-butyldimethylsilyl 175: Testing methoxytrityl 175: Testing tetrahydropyranyl 175: Testing methoxymethyl_ether 175: Testing beta-Methoxyethoxymethyl_ether 175: Testing benzyl 175: Testing trimethylsilyl 175: Testing benzoyl 175: Testing pivaloyl 175: Testing triisopropylsilyl 175: Testing acetyl 175: Testing para-methoxybenzyl_ether 175: Testing triphenylmethyl 175: Testing phthaloyl 175: Testing trimethylsilylethoxymethyl 175: Testing para-methoxyphenyl 175: Testing tosyl 175: Testing tert-butyloxycarbonyl 175: Testing trifluoroacetyl 175: Testing benzoyl 175: Testing 9-fluorenylmethyloxycarbonyl 175: Testing benzylamine 175: Testing acetamide 175: Testing carbobenzyloxy 175: Testing Acetal/Ketal 164/230 Test #175: pyDeprotect ............................ Passed 0.27 sec test 176 Start 176: testReducedGraphs 176: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/testReducedGraphs 176: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs 176: Test timeout computed to be: 1500 176: 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, 0.3, 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, 0.3, 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, 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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, 0.3, 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, ] 176: 165/230 Test #176: testReducedGraphs ...................... Passed 0.02 sec test 177 Start 177: pyReducedGraphs 177: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py" 177: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap 177: Test timeout computed to be: 1500 177: ..... 177: ---------------------------------------------------------------------- 177: Ran 5 tests in 0.021s 177: 177: OK 166/230 Test #177: pyReducedGraphs ........................ Passed 0.36 sec test 178 Start 178: trajectoryTest 178: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory/trajectoryTest 178: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory 178: Test timeout computed to be: 1500 167/230 Test #178: trajectoryTest ......................... Passed 0.56 sec test 179 Start 179: substructLibraryTest 179: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest 179: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary 179: Test timeout computed to be: 1500 179: [02:23:18] ------------------------------------- 179: [02:23:18] Test1 168: Randomness seeded to: 1957238971 168: Timed out after 11 seconds. 179: [02:23:19] done 179: [02:23:19] ------------------------------------- 179: [02:23:19] Test2 150: ...[02:23:19] Molecule does not have explicit Hs. Consider calling AddHs() 150: [02:23:19] Molecule does not have explicit Hs. Consider calling AddHs() 150: [02:23:19] Molecule does not have explicit Hs. Consider calling AddHs() 150: [02:23:19] Molecule does not have explicit Hs. Consider calling AddHs() 150: [02:23:19] Molecule does not have explicit Hs. Consider calling AddHs() 150: ... 150: ---------------------------------------------------------------------- 150: Ran 19 tests in 19.225s 150: 150: OK 150: Testing MolAlign Wrappers 168/230 Test #150: pyMolAlign ............................. Passed 20.02 sec test 180 Start 180: substructLibraryCatchTest 180: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest 180: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary 180: Test timeout computed to be: 1500 179: [02:23:19] done 179: [02:23:19] ------------------------------------- 179: [02:23:19] Test3 (stereo options) 179: [02:23:19] Done (stereo options) 179: [02:23:19] ------------------------------------- 179: [02:23:19] Test4 (trusted smiles) 179: [02:23:19] Done (trusted smiles) 179: [02:23:19] ------------------------------------- 179: [02:23:19] Testing C++ docs 179: [02:23:19] Done (C++ doc tests) 179: [02:23:19] ------------------------------------- 179: [02:23:19] Testing C++ ring query: PatternHolder 179: [02:23:19] Done (C++ ring query tests) 179: [02:23:19] ------------------------------------- 179: [02:23:19] Testing C++ ring query: TautomerPatternHolder 179: [02:23:19] Done (C++ ring query tests) 179: [02:23:19] ------------------------------------- 179: [02:23:19] Add Patterns 180: Randomness seeded to: 2642705569 180: =============================================================================== 180: All tests passed (171 assertions in 5 test cases) 180: 169/230 Test #180: substructLibraryCatchTest .............. Passed 1.92 sec test 181 Start 181: pySubstructLibrary 181: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py" 181: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap 181: Test timeout computed to be: 1500 179: [02:23:26] ------------------------------------- 179: [02:23:26] testing PatternHolder 179: [02:23:27] ------------------------------------- 179: [02:23:27] testing TautomerPatternHolder 179: [02:23:27] ------------------------------------- 179: [02:23:27] testSegFaultInHolder 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[02:23:27] [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'SMILES Parse Error: 179: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] [02:23:27] [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] SMILES Parse Error: syntax error while parsing: dsafsdf 179: [02:23:27] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 179: [02:23:27] ------------------------------------- 179: [02:23:27] Results do not depend on numThreads 173: VS001: PASSED 173: VS002: PASSED 173: VS003: PASSED 173: VS004: PASSED 173: VS005: PASSED 173: VS006: PASSED 173: VS007: PASSED 173: VS008: PASSED 173: VS009: PASSED 173: VS010: PASSED 173: VS011: PASSED 173: VS012: PASSED 173: VS013: PASSED 173: VS014: PASSED 173: VS015: PASSED 173: VS016: PASSED 173: VS017: PASSED 173: VS018: PASSED 173: VS019: PASSED 173: VS020: PASSED 173: VS021: PASSED 173: VS022: PASSED 173: VS023: PASSED 173: VS024: PASSED 173: VS025: PASSED 173: VS026: PASSED 173: VS027: PASSED 173: VS028: PASSED 173: VS029: PASSED 173: VS030: PASSED 173: VS031: PASSED 173: VS032: PASSED 173: VS033: PASSED 173: VS034: PASSED 173: VS035: PASSED 173: VS036: PASSED 173: VS037: PASSED 173: VS038: PASSED 173: VS039: PASSED 173: VS040: PASSED 173: VS041: PASSED 173: VS042: PASSED 173: VS043: PASSED 173: VS044: PASSED 173: VS045: PASSED 173: VS046: PASSED 173: VS047: PASSED 173: VS048: PASSED 173: VS049: PASSED 173: VS050: PASSED 173: VS051: PASSED 173: VS052: PASSED 173: VS053: PASSED 173: VS054: PASSED 173: VS055: PASSED 173: VS056: PASSED 173: VS057: PASSED 173: VS058: PASSED 173: VS059: PASSED 173: VS060: PASSED 173: VS061: PASSED 173: VS062: PASSED 173: VS063: PASSED 173: VS064: PASSED 173: VS065: PASSED 173: VS066: PASSED 173: VS067: PASSED 173: VS068: PASSED 173: VS069: PASSED 173: VS070: PASSED 173: VS071: PASSED 173: VS072: PASSED 173: VS073: PASSED 173: VS074: PASSED 173: VS075: PASSED 173: VS076: PASSED 173: VS077: PASSED 173: VS078: PASSED 173: VS079: PASSED 173: VS080: PASSED 173: VS081: PASSED 173: VS082: PASSED 173: VS083: PASSED 173: VS084: PASSED 173: VS085: PASSED 173: VS086: PASSED 173: VS087: PASSED 173: VS088: PASSED 173: VS089: PASSED 173: VS090: PASSED 173: VS091: PASSED 173: VS092: PASSED 173: VS093: PASSED 173: VS094: PASSED 173: VS095: PASSED 173: VS096: PASSED 173: VS097: PASSED 173: VS098: PASSED 173: VS099: PASSED 173: VS100: PASSED 173: VS101: PASSED 173: VS102: PASSED 173: VS103: PASSED 173: VS104: PASSED 173: VS105: PASSED 173: VS106: PASSED 173: VS107: PASSED 173: VS108: PASSED 173: VS109: PASSED 173: VS110: PASSED 173: VS111: PASSED 173: VS112: PASSED 173: VS113: PASSED 173: VS114: PASSED 173: VS115: PASSED 173: VS116: PASSED 173: VS117: PASSED 173: VS118: PASSED 173: VS119: PASSED 173: VS120: PASSED 173: VS121: PASSED 173: VS122: PASSED 173: VS123: PASSED 173: VS124: PASSED 173: VS125: PASSED 173: VS126: PASSED 173: VS127: PASSED 173: VS128: PASSED 173: VS129: PASSED 173: VS130: PASSED 173: VS131: PASSED 173: VS132: PASSED 173: VS133: PASSED 173: VS134: PASSED 173: VS135: PASSED 173: VS136: PASSED 173: VS137: PASSED 173: VS138: PASSED 173: VS139: PASSED 173: VS140: PASSED 173: VS141: PASSED 173: VS142: PASSED 173: VS143: PASSED 173: VS144: PASSED 173: VS145: PASSED 173: VS146: PASSED 173: VS147: PASSED 173: VS148: PASSED 173: VS149: PASSED 173: VS150: PASSED 173: VS151: PASSED 173: VS152: PASSED 173: VS153: PASSED 173: VS154: PASSED 173: VS155: PASSED 173: VS156: PASSED 173: VS157: PASSED 173: VS158: PASSED 173: VS159: PASSED 173: VS160: PASSED 173: VS161: PASSED 173: VS162: PASSED 173: VS163: PASSED 173: VS164: PASSED 173: VS165: PASSED 173: VS166: PASSED 173: VS167: PASSED 173: VS168: PASSED 173: VS169: PASSED 173: VS170: PASSED 173: VS171: PASSED 173: VS172: PASSED 173: VS173: PASSED 173: VS174: PASSED 173: VS175: PASSED 173: VS176: PASSED 173: VS177: PASSED 173: VS178: PASSED 173: VS179: PASSED 173: VS180: PASSED 173: VS181: PASSED 173: VS182: PASSED 173: VS183: PASSED 173: VS184: PASSED 173: VS185: PASSED 173: VS186: PASSED 173: VS187: PASSED 173: VS188: PASSED 173: VS189: PASSED 173: VS190: PASSED 173: VS191: PASSED 173: VS192: PASSED 173: VS193: PASSED 173: VS194: PASSED 173: VS195: PASSED 173: VS196: PASSED 173: VS197: PASSED 173: VS198: PASSED 173: VS199: PASSED 173: VS200: PASSED 173: VS201: PASSED 173: VS202: PASSED 173: VS203: PASSED 173: VS204: PASSED 173: VS205: PASSED 173: VS206: PASSED 173: VS207: PASSED 173: VS208: PASSED 173: VS209: PASSED 173: VS210: PASSED 173: VS211: PASSED 173: VS212: PASSED 173: VS213: PASSED 173: VS214: PASSED 173: VS215: PASSED 173: VS216: PASSED 173: VS217: PASSED 173: VS218: PASSED 173: VS219: PASSED 173: VS220: PASSED 173: VS221: PASSED 173: VS222: PASSED 173: VS223: PASSED 173: VS224: PASSED 173: VS225: PASSED 173: VS226: PASSED 173: VS227: PASSED 173: VS228: PASSED 173: VS229: PASSED 173: VS230: PASSED 173: VS231: PASSED 173: VS232: PASSED 173: VS233: PASSED 173: VS234: PASSED 173: VS235: PASSED 173: VS236: PASSED 173: VS237: PASSED 173: VS238: PASSED 173: VS239: PASSED 173: VS240: PASSED 173: VS241: PASSED 173: VS242: PASSED 173: VS243: PASSED 173: VS244: PASSED 173: VS245: PASSED 173: VS246: PASSED 173: VS247: PASSED 173: VS248: PASSED 173: VS249: PASSED 173: VS250: PASSED 173: VS251: PASSED 173: VS252: PASSED 173: VS253: PASSED 173: VS254: PASSED 173: VS255: PASSED 173: VS256: PASSED 173: VS257: PASSED 173: VS258: PASSED 173: VS259: PASSED 173: VS260: PASSED 173: VS261: PASSED 173: VS262: PASSED 173: VS263: PASSED 173: VS264: PASSED 173: VS265: PASSED 173: VS266: PASSED 173: VS267: PASSED 173: VS268: PASSED 173: VS269: PASSED 173: VS270: PASSED 173: VS271: PASSED 173: VS272: PASSED 173: VS273: PASSED 173: VS274: PASSED 173: VS275: PASSED 173: VS276: PASSED 173: VS277: PASSED 173: VS278: PASSED 173: VS279: PASSED 173: VS280: PASSED 173: VS281: PASSED 173: VS282: PASSED 173: VS283: PASSED 173: VS284: PASSED 173: VS285: PASSED 173: VS286: PASSED 173: VS287: PASSED 173: VS288: PASSED 173: VS289: PASSED 173: VS290: PASSED 173: VS291: PASSED 173: VS292: PASSED 173: VS293: PASSED 173: VS294: PASSED 173: VS295: PASSED 173: VS296: PASSED 173: VS297: PASSED 173: VS298: PASSED 173: VS299: PASSED 173: VS300: PASSED 173: Check finished: 0 molecules failed. 173: Failed: 170/230 Test #173: pyCIPLabelsValidation .................. Passed 12.68 sec test 182 Start 182: testRGroupDecomp 182: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecomp 182: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition 182: Test timeout computed to be: 1500 182: [02:23:28] Non terminal R group defined. To allow set allowNonTerminalRGroups in RGroupDecompositionParameters 182: [02:23:28] WARNING: not removing hydrogen atom with dummy atom neighbors 161: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 161: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds 161: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 161: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds 161: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 161: MCS MatchStereo true : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 161: TOTAL Time elapsed 24.88 seconds 171/230 Test #161: testFMCS ............................... Passed 24.96 sec test 183 Start 183: testRGroupDecompInternals 183: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals 183: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition 183: Test timeout computed to be: 1500 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 183: [02:23:29] WARNING: not removing hydrogen atom with dummy atom neighbors 172/230 Test #183: testRGroupDecompInternals .............. Passed 0.06 sec test 184 Start 184: rgroupCatchTests 184: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/rgroupCatchTests 184: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition 184: Test timeout computed to be: 1500 184: Randomness seeded to: 1021852412 184: =============================================================================== 184: All tests passed (1475 assertions in 14 test cases) 184: 173/230 Test #184: rgroupCatchTests ....................... Passed 0.64 sec test 185 Start 185: pyRGroupDecomposition 185: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py" 185: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap 185: Test timeout computed to be: 1500 179: [02:23:32] ------------------------------------- 179: [02:23:32] Results do not depend on numThreads (all same) 185: .................... 185: ---------------------------------------------------------------------- 185: Ran 20 tests in 1.371s 185: 185: OK 182: iterative 174/230 Test #185: pyRGroupDecomposition .................. Passed 2.19 sec test 186 Start 186: molInterchangeTest1 186: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeTest1 186: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange 186: Test timeout computed to be: 1500 186: [02:23:32] test1: basics 186: [02:23:32] done 186: [02:23:32] test2: basic writing 186: {"rdkitjson":{"version":11},"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":"2024.09.2","cipRanks":[0,0]}]}]} 186: {"rdkitjson":{"version":11},"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":"2024.09.2","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]} 186: {"rdkitjson":{"version":11},"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":[{"bo":2,"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"bo":2,"atoms":[4,5]},{"atoms":[5,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.2","aromaticAtoms":[0,1,2,3,4,5],"aromaticBonds":[0,1,2,3,4,5],"cipRanks":[0,0,0,0,0,0],"atomRings":[[0,5,4,3,2,1]]}]}]} 186: {"rdkitjson":{"version":11},"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":"2024.09.2","aromaticAtoms":[2,3,5,6,8,9],"aromaticBonds":[2,4,5,7,8,9],"cipRanks":[0,2,4,5,8,3,7,1,9,6],"atomRings":[[2,9,8,6,5,3]]}]}]} 186: [02:23:32] done 186: [02:23:32] test3: writing conformers 186: {"rdkitjson":{"version":11},"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":[[-1.1987,-0.0452],[-0.3332,0.4555],[0.1659,1.322],[0.5332,-0.0438],[-2.0652,0.4541],[-0.8339,1.3212]]},{"dim":3,"coords":[[0.9553,-0.3743,-0.4679],[-0.3616,-0.131,-0.0794],[-0.5097,1.6255,0.1705],[-0.5778,-0.7919,1.1042],[1.5276,0.1063,0.1627],[-1.0339,-0.4345,-0.8902]]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.2","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.2","values":[-0.352,0.273,-0.055,-0.198,0.215,0.117]}]}]} 186: [02:23:32] done 186: [02:23:32] test4: writing properties 186: {"rdkitjson":{"version":11},"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":1.2},"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.2","cipRanks":[0,0]}]}]} 186: [02:23:32] done 186: [02:23:32] test5: writing partial charges 186: {"rdkitjson":{"version":11},"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":"2024.09.2","cipRanks":[0,1]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.2","values":[0.5,-0.5]}]}]} 186: [02:23:32] testing parse options 186: [02:23:32] done 186: [02:23:32] testing github #2046: CIPRank values from JSONDataToMols are not unsigned 186: {"rdkitjson":{"version":11},"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":"2024.09.2","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]} 186: [02:23:32] done 186: [02:23:32] testing 'either' stereochemistry 186: [02:23:32] done 175/230 Test #186: molInterchangeTest1 .................... Passed 0.12 sec test 187 Start 187: molInterchangeCatchTest 187: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeCatchTest 187: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange 187: Test timeout computed to be: 1500 187: Randomness seeded to: 3998320238 187: [02:23:32] unrecognized bond type 12 set to zero while writing 187: [02:23:32] unrecognized bond type 0 set to zero while writing 187: =============================================================================== 187: All tests passed (122 assertions in 6 test cases) 187: 176/230 Test #187: molInterchangeCatchTest ................ Passed 0.08 sec test 188 Start 188: pyMolInterchange 188: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py" 188: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap 188: Test timeout computed to be: 1500 179: [02:23:32] ------------------------------------- 179: [02:23:32] testTautomerQueries 148: --------------------------------- 148: test O3A multithreading bug 148: 148: --------------------------------- 148: testCrippenO3A multithreading 148: 148: generating reference data 179: [02:23:32] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring... 179: [02:23:32] ------------------------------------- 179: [02:23:32] github3881 recursive smarts with rings 177/230 Test #179: substructLibraryTest ................... Passed 13.83 sec test 189 Start 189: testSLNParse 189: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/testSLNParse 189: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse 189: Test timeout computed to be: 1500 189: Atoms: 189: 0 6 C chg: 1 deg: 5 exp: N/A imp: 0 hyb: 189: 1 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 189: 2 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 189: 3 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 189: 4 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 189: 5 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb: 189: Bonds: 189: 0 0->1 order: 1 189: 1 0->2 order: 1 189: 2 0->3 order: 1 189: 3 0->4 order: 1 189: 4 0->5 order: 1 189: [02:23:32] SLN Parse Error: syntax error while parsing: CH4[I=13] 189: [02:23:32] Failed parsing SLN 'CH4[I=13]' 189: [02:23:32] SLN Parser error: Atom ID 1 appears *after* its ring closure. 189: [02:23:32] SLN Parser error: Ring closure 1 does not have a corresponding opener. 189: [02:23:32] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2) 189: [02:23:32] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)' 189: [02:23:32] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1) 189: [02:23:32] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)' 189: [02:23:32] SLN Parse Error: syntax error while parsing: CH4 fff 189: [02:23:32] Failed parsing SLN 'CH4 fff' 189: [02:23:32] SLN Parse Error: syntax error while parsing: C[charge=+1] foo 189: [02:23:32] Failed parsing SLN 'C[charge=+1] foo' 189: [02:23:32] Query property 'is' ignored on non-query atom 189: [02:23:32] Query property 'is' ignored on non-query atom 178/230 Test #189: testSLNParse ........................... Passed 0.03 sec test 190 Start 190: pySLNParse 190: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/SLNParse/Wrap/testSLN.py" 190: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap 190: Test timeout computed to be: 1500 188: .. 188: ---------------------------------------------------------------------- 188: Ran 2 tests in 0.023s 188: 188: OK 179/230 Test #188: pyMolInterchange ....................... Passed 0.46 sec test 191 Start 191: pyGraphMolWrap 191: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/rough_test.py" 191: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 191: Test timeout computed to be: 1500 146: .........[02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: .[02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: .[02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 146: [02:23:32] Molecule does not have explicit Hs. Consider calling AddHs() 190: .. 190: ---------------------------------------------------------------------- 190: Ran 2 tests in 0.015s 190: 190: OK 182: bulk 148: processing 148: launch :0 148: launch :1 148: launch :2 148: launch :3 180/230 Test #190: pySLNParse ............................. Passed 0.71 sec test 192 Start 192: pyTestConformerWrap 192: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/testConformer.py" 192: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 192: Test timeout computed to be: 1500 191: ..............[02:23:33] SMARTS Parse Error: syntax error while parsing: fiib 191: [02:23:33] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib' 191: ....[02:23:33] ERROR: Problems encountered parsing data fields 191: [02:23:33] ERROR: moving to the beginning of the next molecule 191: [02:23:33] ERROR: Problems encountered parsing data fields 191: [02:23:33] ERROR: moving to the beginning of the next molecule 191: [02:23:33] Spurious data before the first property will be ignored 191: [02:23:33] Property will be truncated after the first blank line 191: [02:23:33] Property will be truncated after the first blank line 191: [02:23:33] Property will be truncated after the first blank line 191: [02:23:33] ERROR: Problems encountered parsing data fields 191: [02:23:33] ERROR: moving to the beginning of the next molecule 191: [02:23:33] ERROR: Problems encountered parsing data fields 191: [02:23:33] ERROR: moving to the beginning of the next molecule 191: [02:23:33] Spurious data before the first property will be ignored 191: [02:23:33] Property will be truncated after the first blank line 191: [02:23:33] Property will be truncated after the first blank line 191: [02:23:33] Property will be truncated after the first blank line 191: [02:23:33] ERROR: Problems encountered parsing data fields 191: [02:23:33] ERROR: moving to the beginning of the next molecule 191: [02:23:33] Property will be truncated after the first blank line 191: [02:23:33] ERROR: Problems encountered parsing data fields 191: [02:23:33] ERROR: moving to the beginning of the next molecule 191: [02:23:33] Property will be truncated after the first blank line 191: .[02:23:33] SMILES Parse Error: syntax error while parsing: fail 191: [02:23:33] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail' 191: [02:23:33] ERROR: Smiles parse error on line 2 191: [02:23:33] ERROR: Cannot create molecule from : 'fail' 191: >>> This may result in an infinite loop. It should finish almost instantly 191: <<< OK, it finished. 191: ............[02:23:33] Explicit valence for atom # 1 C, 5, is greater than permitted 191: ......[02:23:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 191: [02:23:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 191: [02:23:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 191: [02:23:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 191: .inWedges: [H]C12C3([H])C4([H])C1([H])C1([H])C2([H])C3([H])C41[H] |(-0.612,-0.6446,0.635;0.0021,-0.0041,0.002;-0.0187,1.5258,0.0104;-0.6498,2.1424,0.6504;1.5111,1.5466,-0.0041;2.1372,2.1804,0.624;1.5319,0.0168,-0.0125;2.175,-0.6067,0.6086;1.5173,0.025,-1.5424;2.1484,-0.5936,-2.1805;-0.0125,0.0041,-1.5279;-0.6405,-0.6297,-2.154;-0.0333,1.534,-1.5195;-0.6783,2.1574,-2.1387;1.4965,1.5548,-1.534;2.1106,2.1972,-2.1651)| 191: ........[02:23:33] non-ring atom 0 marked aromatic 191: [02:23:33] non-ring atom 0 marked aromatic 191: [02:23:33] 191: 191: **** 191: Range Error 191: idx 191: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp 191: Failed Expression: 12 < 6 191: ---------- 191: Stacktrace: 191: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 191: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 191: 4# 0x0000FFFF99CAB690 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 6# 0x0000FFFF9C3715C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 191: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 191: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 191: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 191: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 17# 0x0000FFFF99BE4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 18# 0x0000FFFF99BE4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 19# 0x0000FFFF99BE40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 20# 0x0000FFFF99BE4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 21# 0x0000FFFF99BE3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 25# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 26# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 27# 0x0000FFFF9C36E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 28# _PyObject_MakeTpCall in /usr/bin/python3 191: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 30# 0x00000000004C3D1C in /usr/bin/python3 191: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 32# _PyObject_Call_Prepend in /usr/bin/python3 191: 33# 0x000000000052608C in /usr/bin/python3 191: 34# _PyObject_MakeTpCall in /usr/bin/python3 191: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 36# 0x00000000004C3D1C in /usr/bin/python3 191: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 38# _PyObject_Call_Prepend in /usr/bin/python3 191: 39# 0x000000000052608C in /usr/bin/python3 191: 40# _PyObject_MakeTpCall in /usr/bin/python3 191: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 42# 0x00000000004C3D1C in /usr/bin/python3 191: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 44# _PyObject_Call_Prepend in /usr/bin/python3 191: 45# 0x000000000052608C in /usr/bin/python3 191: 46# _PyObject_MakeTpCall in /usr/bin/python3 191: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 48# _PyObject_Call_Prepend in /usr/bin/python3 191: 49# 0x000000000051FB4C in /usr/bin/python3 191: 50# 0x000000000051B324 in /usr/bin/python3 191: 51# _PyObject_MakeTpCall in /usr/bin/python3 191: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 53# PyEval_EvalCode in /usr/bin/python3 191: 54# 0x0000000000595200 in /usr/bin/python3 191: 55# 0x00000000006757AC in /usr/bin/python3 191: 56# _PyRun_SimpleFileObject in /usr/bin/python3 191: 57# _PyRun_AnyFileObject in /usr/bin/python3 191: 58# Py_RunMain in /usr/bin/python3 191: 59# Py_BytesMain in /usr/bin/python3 191: 60# 0x0000FFFF9CCE229C in /lib/aarch64-linux-gnu/libc.so.6 191: 61# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 191: 62# _start in /usr/bin/python3 191: ---------- 191: **** 191: 191: [02:23:33] non-ring atom 0 marked aromatic 191: [02:23:33] non-ring atom 0 marked aromatic 191: [02:23:33] 191: 191: **** 191: Range Error 191: idx 191: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp 191: Failed Expression: 12 < 6 191: ---------- 191: Stacktrace: 191: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 191: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 191: 4# 0x0000FFFF99CAB690 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 6# 0x0000FFFF9C3715C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 191: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 191: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 191: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 191: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 17# 0x0000FFFF99BE4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 18# 0x0000FFFF99BE4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 19# 0x0000FFFF99BE40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 20# 0x0000FFFF99BE4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 21# 0x0000FFFF99BE3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 25# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 26# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 27# 0x0000FFFF9C36E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 28# _PyObject_MakeTpCall in /usr/bin/python3 191: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 30# 0x00000000004C3D1C in /usr/bin/python3 191: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 32# _PyObject_Call_Prepend in /usr/bin/python3 191: 33# 0x000000000052608C in /usr/bin/python3 191: 34# _PyObject_MakeTpCall in /usr/bin/python3 191: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 36# 0x00000000004C3D1C in /usr/bin/python3 191: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 38# _PyObject_Call_Prepend in /usr/bin/python3 191: 39# 0x000000000052608C in /usr/bin/python3 191: 40# _PyObject_MakeTpCall in /usr/bin/python3 191: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 42# 0x00000000004C3D1C in /usr/bin/python3 191: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 44# _PyObject_Call_Prepend in /usr/bin/python3 191: 45# 0x000000000052608C in /usr/bin/python3 191: 46# _PyObject_MakeTpCall in /usr/bin/python3 191: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 48# _PyObject_Call_Prepend in /usr/bin/python3 191: 49# 0x000000000051FB4C in /usr/bin/python3 191: 50# 0x000000000051B324 in /usr/bin/python3 191: 51# _PyObject_MakeTpCall in /usr/bin/python3 191: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 53# PyEval_EvalCode in /usr/bin/python3 191: 54# 0x0000000000595200 in /usr/bin/python3 191: 55# 0x00000000006757AC in /usr/bin/python3 191: 56# _PyRun_SimpleFileObject in /usr/bin/python3 191: 57# _PyRun_AnyFileObject in /usr/bin/python3 191: 58# Py_RunMain in /usr/bin/python3 191: 59# Py_BytesMain in /usr/bin/python3 191: 60# 0x0000FFFF9CCE229C in /lib/aarch64-linux-gnu/libc.so.6 191: 61# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 191: 62# _start in /usr/bin/python3 191: ---------- 191: **** 191: 191: ...............[02:23:33] 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. 191: [02:23:33] 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. 191: ..............[02:23:33] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 191: [02:23:33] Explicit valence for atom # 1 C, 5, is greater than permitted 192: ...... 192: ---------------------------------------------------------------------- 192: Ran 6 tests in 0.009s 192: 192: OK 181/230 Test #192: pyTestConformerWrap .................... Passed 0.67 sec test 193 Start 193: pyTestTrajectory 193: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/testTrajectory.py" 193: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 193: Test timeout computed to be: 1500 193: [02:23:34] 193: 193: **** 193: Pre-condition Violation 193: from must be < size() 193: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: from < static_cast(size()) 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 5# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 11# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 21# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# _PyObject_MakeTpCall in /usr/bin/python3 193: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 24# 0x00000000004C3D1C in /usr/bin/python3 193: 25# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 26# _PyObject_Call_Prepend in /usr/bin/python3 193: 27# 0x000000000052608C in /usr/bin/python3 193: 28# _PyObject_MakeTpCall in /usr/bin/python3 193: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 30# 0x00000000004C3D1C in /usr/bin/python3 193: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 32# _PyObject_Call_Prepend in /usr/bin/python3 193: 33# 0x000000000052608C in /usr/bin/python3 193: 34# _PyObject_MakeTpCall in /usr/bin/python3 193: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 36# 0x00000000004C3D1C in /usr/bin/python3 193: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 38# _PyObject_Call_Prepend in /usr/bin/python3 193: 39# 0x000000000052608C in /usr/bin/python3 193: 40# _PyObject_MakeTpCall in /usr/bin/python3 193: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 42# _PyObject_Call_Prepend in /usr/bin/python3 193: 43# 0x000000000051FB4C in /usr/bin/python3 193: 44# 0x000000000051B324 in /usr/bin/python3 193: 45# _PyObject_MakeTpCall in /usr/bin/python3 193: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 47# PyEval_EvalCode in /usr/bin/python3 193: 48# 0x0000000000595200 in /usr/bin/python3 193: 49# 0x00000000006757AC in /usr/bin/python3 193: 50# _PyRun_SimpleFileObject in /usr/bin/python3 193: 51# _PyRun_AnyFileObject in /usr/bin/python3 193: 52# Py_RunMain in /usr/bin/python3 193: 53# Py_BytesMain in /usr/bin/python3 193: 54# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 56# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: .[02:23:34] 193: 193: **** 193: Pre-condition Violation 193: from must be < size() 193: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: from < static_cast(size()) 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 5# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 11# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 21# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# _PyObject_MakeTpCall in /usr/bin/python3 193: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 24# 0x00000000004C3D1C in /usr/bin/python3 193: 25# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 26# _PyObject_Call_Prepend in /usr/bin/python3 193: 27# 0x000000000052608C in /usr/bin/python3 193: 28# _PyObject_MakeTpCall in /usr/bin/python3 193: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 30# 0x00000000004C3D1C in /usr/bin/python3 193: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 32# _PyObject_Call_Prepend in /usr/bin/python3 193: 33# 0x000000000052608C in /usr/bin/python3 193: 34# _PyObject_MakeTpCall in /usr/bin/python3 193: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 36# 0x00000000004C3D1C in /usr/bin/python3 193: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 38# _PyObject_Call_Prepend in /usr/bin/python3 193: 39# 0x000000000052608C in /usr/bin/python3 193: 40# _PyObject_MakeTpCall in /usr/bin/python3 193: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 42# _PyObject_Call_Prepend in /usr/bin/python3 193: 43# 0x000000000051FB4C in /usr/bin/python3 193: 44# 0x000000000051B324 in /usr/bin/python3 193: 45# _PyObject_MakeTpCall in /usr/bin/python3 193: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 47# PyEval_EvalCode in /usr/bin/python3 193: 48# 0x0000000000595200 in /usr/bin/python3 193: 49# 0x00000000006757AC in /usr/bin/python3 193: 50# _PyRun_SimpleFileObject in /usr/bin/python3 193: 51# _PyRun_AnyFileObject in /usr/bin/python3 193: 52# Py_RunMain in /usr/bin/python3 193: 53# Py_BytesMain in /usr/bin/python3 193: 54# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 56# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: .[02:23:34] 193: 193: **** 193: Range Error 193: snapshotNum 193: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: 0 < 0 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 21# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 23# _PyObject_MakeTpCall in /usr/bin/python3 193: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 25# 0x00000000004C3D1C in /usr/bin/python3 193: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 27# _PyObject_Call_Prepend in /usr/bin/python3 193: 28# 0x000000000052608C in /usr/bin/python3 193: 29# _PyObject_MakeTpCall in /usr/bin/python3 193: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 31# 0x00000000004C3D1C in /usr/bin/python3 193: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 33# _PyObject_Call_Prepend in /usr/bin/python3 193: 34# 0x000000000052608C in /usr/bin/python3 193: 35# _PyObject_MakeTpCall in /usr/bin/python3 193: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 37# 0x00000000004C3D1C in /usr/bin/python3 193: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 39# _PyObject_Call_Prepend in /usr/bin/python3 193: 40# 0x000000000052608C in /usr/bin/python3 193: 41# _PyObject_MakeTpCall in /usr/bin/python3 193: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 43# _PyObject_Call_Prepend in /usr/bin/python3 193: 44# 0x000000000051FB4C in /usr/bin/python3 193: 45# 0x000000000051B324 in /usr/bin/python3 193: 46# _PyObject_MakeTpCall in /usr/bin/python3 193: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 48# PyEval_EvalCode in /usr/bin/python3 193: 49# 0x0000000000595200 in /usr/bin/python3 193: 50# 0x00000000006757AC in /usr/bin/python3 193: 51# _PyRun_SimpleFileObject in /usr/bin/python3 193: 52# _PyRun_AnyFileObject in /usr/bin/python3 193: 53# Py_RunMain in /usr/bin/python3 193: 54# Py_BytesMain in /usr/bin/python3 193: 55# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 56# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 57# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: .[02:23:34] 193: 193: **** 193: Pre-condition Violation 193: The trajectory must have dimension == 3 193: Violation occurred on line 113 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: traj.dimension() == 3 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::readAmberTrajectory(std::__cxx11::basic_string, std::allocator > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 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-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 5# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 11# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 21# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# _PyObject_MakeTpCall in /usr/bin/python3 193: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 24# 0x00000000004C3D1C in /usr/bin/python3 193: 25# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 26# _PyObject_Call_Prepend in /usr/bin/python3 193: 27# 0x000000000052608C in /usr/bin/python3 193: 28# _PyObject_MakeTpCall in /usr/bin/python3 193: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 30# 0x00000000004C3D1C in /usr/bin/python3 193: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 32# _PyObject_Call_Prepend in /usr/bin/python3 193: 33# 0x000000000052608C in /usr/bin/python3 193: 34# _PyObject_MakeTpCall in /usr/bin/python3 193: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 36# 0x00000000004C3D1C in /usr/bin/python3 193: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 38# _PyObject_Call_Prepend in /usr/bin/python3 193: 39# 0x000000000052608C in /usr/bin/python3 193: 40# _PyObject_MakeTpCall in /usr/bin/python3 193: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 42# _PyObject_Call_Prepend in /usr/bin/python3 193: 43# 0x000000000051FB4C in /usr/bin/python3 193: 44# 0x000000000051B324 in /usr/bin/python3 193: 45# _PyObject_MakeTpCall in /usr/bin/python3 193: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 47# PyEval_EvalCode in /usr/bin/python3 193: 48# 0x0000000000595200 in /usr/bin/python3 193: 49# 0x00000000006757AC in /usr/bin/python3 193: 50# _PyRun_SimpleFileObject in /usr/bin/python3 193: 51# _PyRun_AnyFileObject in /usr/bin/python3 193: 52# Py_RunMain in /usr/bin/python3 193: 53# Py_BytesMain in /usr/bin/python3 193: 54# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 56# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: ..[02:23:34] 193: 193: **** 193: Pre-condition Violation 193: The trajectory must have dimension == 3 193: Violation occurred on line 154 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: traj.dimension() == 3 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::readGromosTrajectory(std::__cxx11::basic_string, std::allocator > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 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-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 5# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 11# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 21# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# _PyObject_MakeTpCall in /usr/bin/python3 193: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 24# 0x00000000004C3D1C in /usr/bin/python3 193: 25# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 26# _PyObject_Call_Prepend in /usr/bin/python3 193: 27# 0x000000000052608C in /usr/bin/python3 193: 28# _PyObject_MakeTpCall in /usr/bin/python3 193: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 30# 0x00000000004C3D1C in /usr/bin/python3 193: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 32# _PyObject_Call_Prepend in /usr/bin/python3 193: 33# 0x000000000052608C in /usr/bin/python3 193: 34# _PyObject_MakeTpCall in /usr/bin/python3 193: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 36# 0x00000000004C3D1C in /usr/bin/python3 193: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 38# _PyObject_Call_Prepend in /usr/bin/python3 193: 39# 0x000000000052608C in /usr/bin/python3 193: 40# _PyObject_MakeTpCall in /usr/bin/python3 193: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 42# _PyObject_Call_Prepend in /usr/bin/python3 193: 43# 0x000000000051FB4C in /usr/bin/python3 193: 44# 0x000000000051B324 in /usr/bin/python3 193: 45# _PyObject_MakeTpCall in /usr/bin/python3 193: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 47# PyEval_EvalCode in /usr/bin/python3 193: 48# 0x0000000000595200 in /usr/bin/python3 193: 49# 0x00000000006757AC in /usr/bin/python3 193: 50# _PyRun_SimpleFileObject in /usr/bin/python3 193: 51# _PyRun_AnyFileObject in /usr/bin/python3 193: 52# Py_RunMain in /usr/bin/python3 193: 53# Py_BytesMain in /usr/bin/python3 193: 54# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 56# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: .[02:23:34] 193: 193: **** 193: Pre-condition Violation 193: d_pos must not be NULL 193: Violation occurred on line 23 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: d_pos 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 5# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 11# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 21# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# _PyObject_MakeTpCall in /usr/bin/python3 193: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 24# 0x00000000004C3D1C in /usr/bin/python3 193: 25# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 26# _PyObject_Call_Prepend in /usr/bin/python3 193: 27# 0x000000000052608C in /usr/bin/python3 193: 28# _PyObject_MakeTpCall in /usr/bin/python3 193: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 30# 0x00000000004C3D1C in /usr/bin/python3 193: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 32# _PyObject_Call_Prepend in /usr/bin/python3 193: 33# 0x000000000052608C in /usr/bin/python3 193: 34# _PyObject_MakeTpCall in /usr/bin/python3 193: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 36# 0x00000000004C3D1C in /usr/bin/python3 193: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 38# _PyObject_Call_Prepend in /usr/bin/python3 193: 39# 0x000000000052608C in /usr/bin/python3 193: 40# _PyObject_MakeTpCall in /usr/bin/python3 193: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 42# _PyObject_Call_Prepend in /usr/bin/python3 193: 43# 0x000000000051FB4C in /usr/bin/python3 193: 44# 0x000000000051B324 in /usr/bin/python3 193: 45# _PyObject_MakeTpCall in /usr/bin/python3 193: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 47# PyEval_EvalCode in /usr/bin/python3 193: 48# 0x0000000000595200 in /usr/bin/python3 193: 49# 0x00000000006757AC in /usr/bin/python3 193: 50# _PyRun_SimpleFileObject in /usr/bin/python3 193: 51# _PyRun_AnyFileObject in /usr/bin/python3 193: 52# Py_RunMain in /usr/bin/python3 193: 53# Py_BytesMain in /usr/bin/python3 193: 54# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 56# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: [02:23:34] 193: 193: **** 193: Pre-condition Violation 193: d_trajectory must not be NULL 193: Violation occurred on line 24 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: d_trajectory 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 5# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 11# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 21# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# _PyObject_MakeTpCall in /usr/bin/python3 193: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 24# 0x00000000004C3D1C in /usr/bin/python3 193: 25# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 26# _PyObject_Call_Prepend in /usr/bin/python3 193: 27# 0x000000000052608C in /usr/bin/python3 193: 28# _PyObject_MakeTpCall in /usr/bin/python3 193: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 30# 0x00000000004C3D1C in /usr/bin/python3 193: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 32# _PyObject_Call_Prepend in /usr/bin/python3 193: 33# 0x000000000052608C in /usr/bin/python3 193: 34# _PyObject_MakeTpCall in /usr/bin/python3 193: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 36# 0x00000000004C3D1C in /usr/bin/python3 193: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 38# _PyObject_Call_Prepend in /usr/bin/python3 193: 39# 0x000000000052608C in /usr/bin/python3 193: 40# _PyObject_MakeTpCall in /usr/bin/python3 193: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 42# _PyObject_Call_Prepend in /usr/bin/python3 193: 43# 0x000000000051FB4C in /usr/bin/python3 193: 44# 0x000000000051B324 in /usr/bin/python3 193: 45# _PyObject_MakeTpCall in /usr/bin/python3 193: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 47# PyEval_EvalCode in /usr/bin/python3 193: 48# 0x0000000000595200 in /usr/bin/python3 193: 49# 0x00000000006757AC in /usr/bin/python3 193: 50# _PyRun_SimpleFileObject in /usr/bin/python3 193: 51# _PyRun_AnyFileObject in /usr/bin/python3 193: 52# Py_RunMain in /usr/bin/python3 193: 53# Py_BytesMain in /usr/bin/python3 193: 54# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 56# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: .[02:23:34] 193: 193: **** 193: Range Error 193: snapshotNum 193: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: 5 < 5 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 21# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 23# _PyObject_MakeTpCall in /usr/bin/python3 193: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 25# 0x00000000004C3D1C in /usr/bin/python3 193: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 27# _PyObject_Call_Prepend in /usr/bin/python3 193: 28# 0x000000000052608C in /usr/bin/python3 193: 29# _PyObject_MakeTpCall in /usr/bin/python3 193: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 31# 0x00000000004C3D1C in /usr/bin/python3 193: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 33# _PyObject_Call_Prepend in /usr/bin/python3 193: 34# 0x000000000052608C in /usr/bin/python3 193: 35# _PyObject_MakeTpCall in /usr/bin/python3 193: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 37# 0x00000000004C3D1C in /usr/bin/python3 193: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 39# _PyObject_Call_Prepend in /usr/bin/python3 193: 40# 0x000000000052608C in /usr/bin/python3 193: 41# _PyObject_MakeTpCall in /usr/bin/python3 193: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 43# _PyObject_Call_Prepend in /usr/bin/python3 193: 44# 0x000000000051FB4C in /usr/bin/python3 193: 45# 0x000000000051B324 in /usr/bin/python3 193: 46# _PyObject_MakeTpCall in /usr/bin/python3 193: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 48# PyEval_EvalCode in /usr/bin/python3 193: 49# 0x0000000000595200 in /usr/bin/python3 193: 50# 0x00000000006757AC in /usr/bin/python3 193: 51# _PyRun_SimpleFileObject in /usr/bin/python3 193: 52# _PyRun_AnyFileObject in /usr/bin/python3 193: 53# Py_RunMain in /usr/bin/python3 193: 54# Py_BytesMain in /usr/bin/python3 193: 55# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 56# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 57# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: [02:23:34] 193: 193: **** 193: Range Error 193: pointNum 193: Violation occurred on line 27 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: 10 < 10 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 5# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 11# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 21# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# _PyObject_MakeTpCall in /usr/bin/python3 193: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 24# 0x00000000004C3D1C in /usr/bin/python3 193: 25# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 26# _PyObject_Call_Prepend in /usr/bin/python3 193: 27# 0x000000000052608C in /usr/bin/python3 193: 28# _PyObject_MakeTpCall in /usr/bin/python3 193: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 30# 0x00000000004C3D1C in /usr/bin/python3 193: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 32# _PyObject_Call_Prepend in /usr/bin/python3 193: 33# 0x000000000052608C in /usr/bin/python3 193: 34# _PyObject_MakeTpCall in /usr/bin/python3 193: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 36# 0x00000000004C3D1C in /usr/bin/python3 193: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 38# _PyObject_Call_Prepend in /usr/bin/python3 193: 39# 0x000000000052608C in /usr/bin/python3 193: 40# _PyObject_MakeTpCall in /usr/bin/python3 193: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 42# _PyObject_Call_Prepend in /usr/bin/python3 193: 43# 0x000000000051FB4C in /usr/bin/python3 193: 44# 0x000000000051B324 in /usr/bin/python3 193: 45# _PyObject_MakeTpCall in /usr/bin/python3 193: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 47# PyEval_EvalCode in /usr/bin/python3 193: 48# 0x0000000000595200 in /usr/bin/python3 193: 49# 0x00000000006757AC in /usr/bin/python3 193: 50# _PyRun_SimpleFileObject in /usr/bin/python3 193: 51# _PyRun_AnyFileObject in /usr/bin/python3 193: 52# Py_RunMain in /usr/bin/python3 193: 53# Py_BytesMain in /usr/bin/python3 193: 54# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 56# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: .[02:23:34] 193: 193: **** 191: ............................[02:23:34] unable to set wavy bonds for double bonds: 3 193: Range Error 193: snapshotNum 193: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: 5 < 5 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::caller_py_function_impl, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 21# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 23# _PyObject_MakeTpCall in /usr/bin/python3 193: 24# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 25# 0x00000000004C3D1C in /usr/bin/python3 193: 26# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 27# _PyObject_Call_Prepend in /usr/bin/python3 193: 28# 0x000000000052608C in /usr/bin/python3 193: 29# _PyObject_MakeTpCall in /usr/bin/python3 193: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 31# 0x00000000004C3D1C in /usr/bin/python3 193: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 33# _PyObject_Call_Prepend in /usr/bin/python3 193: 34# 0x000000000052608C in /usr/bin/python3 193: 35# _PyObject_MakeTpCall in /usr/bin/python3 193: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 37# 0x00000000004C3D1C in /usr/bin/python3 193: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 39# _PyObject_Call_Prepend in /usr/bin/python3 193: 40# 0x000000000052608C in /usr/bin/python3 193: 41# _PyObject_MakeTpCall in /usr/bin/python3 193: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 43# _PyObject_Call_Prepend in /usr/bin/python3 193: 44# 0x000000000051FB4C in /usr/bin/python3 193: 45# 0x000000000051B324 in /usr/bin/python3 193: 46# _PyObject_MakeTpCall in /usr/bin/python3 193: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 48# PyEval_EvalCode in /usr/bin/python3 193: 49# 0x0000000000595200 in /usr/bin/python3 193: 50# 0x00000000006757AC in /usr/bin/python3 193: 51# _PyRun_SimpleFileObject in /usr/bin/python3 193: 52# _PyRun_AnyFileObject in /usr/bin/python3 193: 53# Py_RunMain in /usr/bin/python3 193: 54# Py_BytesMain in /usr/bin/python3 193: 55# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 56# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 57# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: [02:23:34] 193: 193: **** 193: Pre-condition Violation 193: d_dimension must be == 2 193: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: d_trajectory->dimension() == 2 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 5# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 11# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 21# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# _PyObject_MakeTpCall in /usr/bin/python3 193: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 24# 0x00000000004C3D1C in /usr/bin/python3 193: 25# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 26# _PyObject_Call_Prepend in /usr/bin/python3 193: 27# 0x000000000052608C in /usr/bin/python3 193: 28# _PyObject_MakeTpCall in /usr/bin/python3 193: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 30# 0x00000000004C3D1C in /usr/bin/python3 193: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 32# _PyObject_Call_Prepend in /usr/bin/python3 193: 33# 0x000000000052608C in /usr/bin/python3 193: 34# _PyObject_MakeTpCall in /usr/bin/python3 193: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 36# 0x00000000004C3D1C in /usr/bin/python3 193: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 38# _PyObject_Call_Prepend in /usr/bin/python3 193: 39# 0x000000000052608C in /usr/bin/python3 193: 40# _PyObject_MakeTpCall in /usr/bin/python3 193: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 42# _PyObject_Call_Prepend in /usr/bin/python3 193: 43# 0x000000000051FB4C in /usr/bin/python3 193: 44# 0x000000000051B324 in /usr/bin/python3 193: 45# _PyObject_MakeTpCall in /usr/bin/python3 193: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 47# PyEval_EvalCode in /usr/bin/python3 193: 48# 0x0000000000595200 in /usr/bin/python3 193: 49# 0x00000000006757AC in /usr/bin/python3 193: 50# _PyRun_SimpleFileObject in /usr/bin/python3 193: 51# _PyRun_AnyFileObject in /usr/bin/python3 193: 52# Py_RunMain in /usr/bin/python3 193: 53# Py_BytesMain in /usr/bin/python3 193: 54# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 56# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: [02:23:34] 193: 193: **** 193: Pre-condition Violation 193: d_dimension must be == 2 193: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 193: Failed Expression: d_trajectory->dimension() == 2 193: ---------- 193: Stacktrace: 193: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 193: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1 193: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so 193: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 5# 0x0000FFFFA7CE15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 193: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 193: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 11# 0x0000FFFFA57C4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 12# 0x0000FFFFA57C4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 13# 0x0000FFFFA57C40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 14# 0x0000FFFFA57C4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 15# 0x0000FFFFA57C3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 193: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 193: 20# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 21# 0x0000FFFFA7CDE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 193: 22# _PyObject_MakeTpCall in /usr/bin/python3 193: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 24# 0x00000000004C3D1C in /usr/bin/python3 193: 25# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 26# _PyObject_Call_Prepend in /usr/bin/python3 193: 27# 0x000000000052608C in /usr/bin/python3 193: 28# _PyObject_MakeTpCall in /usr/bin/python3 193: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 30# 0x00000000004C3D1C in /usr/bin/python3 193: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 32# _PyObject_Call_Prepend in /usr/bin/python3 193: 33# 0x000000000052608C in /usr/bin/python3 193: 34# _PyObject_MakeTpCall in /usr/bin/python3 193: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 36# 0x00000000004C3D1C in /usr/bin/python3 193: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 38# _PyObject_Call_Prepend in /usr/bin/python3 193: 39# 0x000000000052608C in /usr/bin/python3 193: 40# _PyObject_MakeTpCall in /usr/bin/python3 193: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 42# _PyObject_Call_Prepend in /usr/bin/python3 193: 43# 0x000000000051FB4C in /usr/bin/python3 193: 44# 0x000000000051B324 in /usr/bin/python3 193: 45# _PyObject_MakeTpCall in /usr/bin/python3 193: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 193: 47# PyEval_EvalCode in /usr/bin/python3 193: 48# 0x0000000000595200 in /usr/bin/python3 193: 49# 0x00000000006757AC in /usr/bin/python3 193: 50# _PyRun_SimpleFileObject in /usr/bin/python3 193: 51# _PyRun_AnyFileObject in /usr/bin/python3 193: 52# Py_RunMain in /usr/bin/python3 193: 53# Py_BytesMain in /usr/bin/python3 193: 54# 0x0000FFFFA84C229C in /lib/aarch64-linux-gnu/libc.so.6 193: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 193: 56# _start in /usr/bin/python3 193: ---------- 193: **** 193: 193: . 193: ---------------------------------------------------------------------- 193: Ran 9 tests in 0.386s 193: 193: OK 193: Testing Trajectory wrapper 191: .............[02:23:34] 191: 191: **** 191: Range Error 191: idx 191: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp 191: Failed Expression: 6 < 5 191: ---------- 191: Stacktrace: 191: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 191: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 191: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 6# 0x0000FFFF9C3715C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 191: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 191: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 191: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 191: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 17# 0x0000FFFF99BE4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 18# 0x0000FFFF99BE4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 19# 0x0000FFFF99BE40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 20# 0x0000FFFF99BE4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 21# 0x0000FFFF99BE3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 25# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 26# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 27# 0x0000FFFF9C36E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 28# _PyObject_MakeTpCall in /usr/bin/python3 191: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 30# 0x00000000004C3D1C in /usr/bin/python3 191: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 32# _PyObject_Call_Prepend in /usr/bin/python3 191: 33# 0x000000000052608C in /usr/bin/python3 191: 34# _PyObject_MakeTpCall in /usr/bin/python3 191: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 36# 0x00000000004C3D1C in /usr/bin/python3 191: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 38# _PyObject_Call_Prepend in /usr/bin/python3 191: 39# 0x000000000052608C in /usr/bin/python3 191: 40# _PyObject_MakeTpCall in /usr/bin/python3 191: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 42# 0x00000000004C3D1C in /usr/bin/python3 191: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 44# _PyObject_Call_Prepend in /usr/bin/python3 191: 45# 0x000000000052608C in /usr/bin/python3 191: 46# _PyObject_MakeTpCall in /usr/bin/python3 191: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 48# _PyObject_Call_Prepend in /usr/bin/python3 191: 49# 0x000000000051FB4C in /usr/bin/python3 191: 50# 0x000000000051B324 in /usr/bin/python3 191: 51# _PyObject_MakeTpCall in /usr/bin/python3 191: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 53# PyEval_EvalCode in /usr/bin/python3 191: 54# 0x0000000000595200 in /usr/bin/python3 191: 55# 0x00000000006757AC in /usr/bin/python3 191: 56# _PyRun_SimpleFileObject in /usr/bin/python3 191: 57# _PyRun_AnyFileObject in /usr/bin/python3 191: 58# Py_RunMain in /usr/bin/python3 191: 59# Py_BytesMain in /usr/bin/python3 191: 60# 0x0000FFFF9CCE229C in /lib/aarch64-linux-gnu/libc.so.6 191: 61# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 191: 62# _start in /usr/bin/python3 191: ---------- 191: **** 191: 182/230 Test #193: pyTestTrajectory ....................... Passed 0.85 sec test 194 Start 194: pyTestSGroups 194: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/testSGroups.py" 194: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 194: Test timeout computed to be: 1500 182: bulk, no symmetry 194: ............. 194: ---------------------------------------------------------------------- 194: Ran 13 tests in 0.054s 194: 194: OK 194: Testing SubstanceGroups wrapper 183/230 Test #194: pyTestSGroups .......................... Passed 0.76 sec test 195 Start 195: pyTestThreads 195: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/testThreads.py" 195: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 195: Test timeout computed to be: 1500 182: [02:23:35] Relabelling existing label 191: ....................[02:23:35] Explicit valence for atom # 1 F, 2, is greater than permitted 191: [02:23:35] Explicit valence for atom # 6 F, 2, is greater than permitted 191: [02:23:35] Can't kekulize mol. Unkekulized atoms: 3 4 5 191: .................[02:23:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 182: Best mapping 184/230 Test #182: testRGroupDecomp ....................... Passed 8.76 sec test 196 Start 196: pyTestMultithreadedMolSupplier 196: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py" 196: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 196: Test timeout computed to be: 1500 196: .s. 196: ---------------------------------------------------------------------- 196: Ran 3 tests in 0.238s 196: 196: OK (skipped=1) 196: Testing Smiles and SD MultithreadedMolSupplier 146: ... 146: ---------------------------------------------------------------------- 146: Ran 22 tests in 37.675s 146: 146: OK 185/230 Test #196: pyTestMultithreadedMolSupplier ......... Passed 0.56 sec test 197 Start 197: pyTestPropertyLists 197: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/testPropertyLists.py" 197: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 197: Test timeout computed to be: 1500 186/230 Test #146: pyDistGeomHelpers ...................... Passed 38.38 sec test 198 Start 198: pyCDXMLTest 198: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Wrap/test_cdxml.py" 198: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 198: Test timeout computed to be: 1500 197: [02:23:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it. 197: [02:23:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it. 197: [02:23:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it. 197: .[02:23:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it. 197: [02:23:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it. 197: [02:23:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it. 197: ...[02:23:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it. 197: [02:23:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it. 197: [02:23:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it. 197: . 197: ---------------------------------------------------------------------- 197: Ran 5 tests in 0.008s 197: 197: OK 187/230 Test #197: pyTestPropertyLists .................... Passed 0.41 sec test 199 Start 199: molStandardizeTest 199: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeTest 199: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 199: Test timeout computed to be: 1500 198: . 198: ---------------------------------------------------------------------- 198: Ran 1 test in 0.015s 198: 198: OK 188/230 Test #198: pyCDXMLTest ............................ Passed 0.58 sec test 200 Start 200: molNormalizeTest 200: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molNormalizeTest 200: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 200: Test timeout computed to be: 1500 200: [02:23:37] Can't kekulize mol. Unkekulized atoms: 3 7 8 9 200: [02:23:37] Initializing Normalizer 200: [02:23:37] Running Normalizer 200: [02:23:37] Rule applied: BrokenazidetoN=N+=N- 200: [02:23:37] Initializing Normalizer 200: [02:23:37] Running Normalizer 200: [02:23:37] Initializing Normalizer 200: [02:23:37] Running Normalizer 189/230 Test #200: molNormalizeTest ....................... Passed 0.21 sec test 201 Start 201: molValidateTest 201: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molValidateTest 201: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 201: Test timeout computed to be: 1500 201: ERROR: [FeaturesValidation] Query atom 0 is not allowed 201: ERROR: [FeaturesValidation] Dummy atom 0 is not allowed 201: ERROR: [FeaturesValidation] Query bond 0 is not allowed 201: ERROR: [FeaturesValidation] Bond 0 of aromatic type is not allowed 201: ERROR: [FeaturesValidation] Bond 1 of aromatic type is not allowed 201: ERROR: [FeaturesValidation] Bond 2 of aromatic type is not allowed 201: ERROR: [FeaturesValidation] Bond 3 of aromatic type is not allowed 201: ERROR: [FeaturesValidation] Bond 5 of aromatic type is not allowed 201: ERROR: [FeaturesValidation] Bond 6 of aromatic type is not allowed 201: ERROR: [FeaturesValidation] Bond 2 of dative type is not allowed 201: ERROR: [FeaturesValidation] Bond 3 of dative type is not allowed 201: ERROR: [FeaturesValidation] Atom 2 with alias 'CF3' is not allowed 201: ERROR: [FeaturesValidation] Enhanced stereochemistry features are not allowed 201: ERROR: [StereoValidation] Atom 3 has both unknown and wedged/dashed stereo bonds. 201: here 201: ERROR: [StereoValidation] Bond 3 has assigned stereo type, but unexpected bond order. 201: there 201: ERROR: [StereoValidation] Atom 0 has stereo bonds, but less than 3 explicit substituents. 190/230 Test #201: molValidateTest ........................ Passed 0.08 sec test 202 Start 202: molChargeTest 202: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molChargeTest 202: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 202: Test timeout computed to be: 1500 191/230 Test #202: molChargeTest .......................... Passed 0.12 sec test 203 Start 203: molTautomerTest 203: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molTautomerTest 203: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 203: Test timeout computed to be: 1500 192/230 Test #199: molStandardizeTest ..................... Passed 0.89 sec test 204 Start 204: molStandardizeSmallTest 204: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest 204: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 204: Test timeout computed to be: 1500 193/230 Test #204: molStandardizeSmallTest ................ Passed 0.11 sec test 205 Start 205: molFragmentTest 205: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest 205: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 205: Test timeout computed to be: 1500 205: [02:23:38] SMARTS Parse Error: syntax error while parsing: [Cl 205: [02:23:38] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl' 194/230 Test #205: molFragmentTest ........................ Passed 0.12 sec test 206 Start 206: molStandardizeCatchTest 206: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest 206: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 206: Test timeout computed to be: 1500 203: [02:23:38] Tautomer enumeration stopped at 292 tautomers: max transforms reached 206: Randomness seeded to: 4136603454 206: * - * - * - * m1 206: * - * - * - * m2 206: * - * - * - * m1 206: * - * - * - * m2 206: [02:23:38] Can't kekulize mol. Unkekulized atoms: 3 7 206: [02:23:39] Can't kekulize mol. Unkekulized atoms: 3 8 206: [02:23:39] Can't kekulize mol. Unkekulized atoms: 2 3 4 203: [02:23:39] Tautomer enumeration stopped at 292 tautomers: max transforms reached 203: [02:23:39] Tautomer enumeration stopped at 50 tautomers: max tautomers reached 203: [02:23:39] Tautomer enumeration stopped at 86 tautomers: canceled 203: Enumeration was canceled due to timeout (50 ms) 203: 375 203: Enumeration has completed 203: [02:23:40] Tautomer enumeration stopped at 83 tautomers: canceled 203: CN=c1cc[nH]cn1 203: CN=c1ccnc[nH]1 203: CNc1ccncn1 203: res: CNc1ccncn1 203: CN=c1cccc[nH]1 203: CNc1ccccn1 203: res: CNc1ccccn1 195/230 Test #203: molTautomerTest ........................ Passed 4.01 sec test 207 Start 207: molStandardizePipelineTest 207: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizePipelineTest 207: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 207: Test timeout computed to be: 1500 207: Randomness seeded to: 3533279863 207: 1 Counts line too short: '' on line4 207: 1 Could not instantiate a valid molecule from input 207: 8 Molecule has no atoms 207: [02:23:42] Explicit valence for atom # 1 N, 4, is greater than permitted 207: [02:23:42] Explicit valence for atom # 1 N, 4, is greater than permitted 207: 8 Explicit valence for atom # 1 N, 4, is greater than permitted 207: 128 An error occurred while preparing the molecule for standardization. 207: 8 The molecule contains an unknown isotope: 3C 207: 4 Query atom 0 is not allowed 207: 4 Bond 0 of aromatic type is not allowed 207: 4 Bond 1 of aromatic type is not allowed 207: 4 Bond 2 of aromatic type is not allowed 207: 4 Bond 3 of aromatic type is not allowed 207: 4 Bond 5 of aromatic type is not allowed 207: 4 Bond 6 of aromatic type is not allowed 207: 4 Bond 2 of dative type is not allowed 207: 4 Bond 3 of dative type is not allowed 207: 4 Enhanced stereochemistry features are not allowed 207: 8 The radical at atom 0 is not allowed 207: [02:23:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 207: 16 The molecule includes non-null Z coordinates 207: 32 Atom 0 too close to bond 2 207: 32 The length of bond 3 between atoms 0 and 3 exceeds a configured limit 207: 64 Atom 0 has 3 explicit substituents and multiple stereo bonds 207: 64 Atom 0 has adjacent stereo bonds with like orientation 207: [02:23:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 207: 16 The molecule includes non-null Z coordinates 207: 64 Atom 0 has adjacent stereo bonds with like orientation 207: 32 The length of bond 16 between atoms 16 and 1 exceeds a configured limit 207: 8388608 One or more metal atoms were disconnected. 207: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 207: 67108864 The protonation state was adjusted. 207: 16777216 The representation of some functional groups was adjusted. 207: 67108864 The protonation state was adjusted. 207: 16777216 The representation of some functional groups was adjusted. 207: 67108864 The protonation state was adjusted. 207: 16777216 The representation of some functional groups was adjusted. 207: 16777216 The representation of some functional groups was adjusted. 207: 67108864 The protonation state was adjusted. 207: 16777216 The representation of some functional groups was adjusted. 207: 67108864 The protonation state was adjusted. 207: 16777216 The representation of some functional groups was adjusted. 207: 67108864 The protonation state was adjusted. 207: 16777216 The representation of some functional groups was adjusted. 207: 67108864 The protonation state was adjusted. 207: 8388608 One or more metal atoms were disconnected. 207: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 207: 67108864 The protonation state was adjusted. 207: 8388608 One or more metal atoms were disconnected. 207: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 207: 67108864 The protonation state was adjusted. 207: 8388608 One or more metal atoms were disconnected. 207: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 207: 67108864 The protonation state was adjusted. 207: 8388608 One or more metal atoms were disconnected. 207: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 207: 67108864 The protonation state was adjusted. 207: 8388608 One or more metal atoms were disconnected. 207: 33554432 One or more disconnected fragments (e.g., counterions) were removed. 207: 67108864 The protonation state was adjusted. 207: 16777216 The "wavy" style of bond 4 was removed 207: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration 207: 16777216 The "wavy" style of bond 2 was removed 207: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 207: 16777216 The "wavy" style of bond 1 was removed 207: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 207: 16777216 The "wavy" style of bond 1 was removed 207: 16777216 The "wavy" style of bond 4 was removed 207: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration 207: 16777216 The "wavy" style of bond 3 was removed 207: 16777216 The representation of some functional groups was adjusted. 207: [02:23:42] Can't kekulize mol. Unkekulized atoms: 2 3 5 191: ..[02:23:42] 191: 191: **** 207: =============================================================================== 207: All tests passed (268 assertions in 5 test cases) 207: 196/230 Test #207: molStandardizePipelineTest ............. Passed 0.31 sec test 208 Start 208: pyMolStandardize 208: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py" 208: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap 208: Test timeout computed to be: 1500 191: Pre-condition Violation 191: no owner 191: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h 191: Failed Expression: dp_mol 191: ---------- 191: Stacktrace: 191: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 3# boost::python::objects::caller_py_function_impl, boost::mpl::vector2 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 5# 0x0000FFFF9C3715C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 191: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 191: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 191: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 191: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 16# 0x0000FFFF99BE4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 17# 0x0000FFFF99BE4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 18# 0x0000FFFF99BE40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 19# 0x0000FFFF99BE4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 20# 0x0000FFFF99BE3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 21# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 25# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 26# 0x0000FFFF9C36E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 27# _PyObject_MakeTpCall in /usr/bin/python3 191: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 29# 0x00000000004C3D1C in /usr/bin/python3 191: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 31# _PyObject_Call_Prepend in /usr/bin/python3 191: 32# 0x000000000052608C in /usr/bin/python3 191: 33# _PyObject_MakeTpCall in /usr/bin/python3 191: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 35# 0x00000000004C3D1C in /usr/bin/python3 191: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 37# _PyObject_Call_Prepend in /usr/bin/python3 191: 38# 0x000000000052608C in /usr/bin/python3 191: 39# _PyObject_MakeTpCall in /usr/bin/python3 191: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 41# 0x00000000004C3D1C in /usr/bin/python3 191: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 43# _PyObject_Call_Prepend in /usr/bin/python3 191: 44# 0x000000000052608C in /usr/bin/python3 191: 45# _PyObject_MakeTpCall in /usr/bin/python3 191: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 47# _PyObject_Call_Prepend in /usr/bin/python3 191: 48# 0x000000000051FB4C in /usr/bin/python3 191: 49# 0x000000000051B324 in /usr/bin/python3 191: 50# _PyObject_MakeTpCall in /usr/bin/python3 191: 51# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 52# PyEval_EvalCode in /usr/bin/python3 191: 53# 0x0000000000595200 in /usr/bin/python3 191: 54# 0x00000000006757AC in /usr/bin/python3 191: 55# _PyRun_SimpleFileObject in /usr/bin/python3 191: 56# _PyRun_AnyFileObject in /usr/bin/python3 191: 57# Py_RunMain in /usr/bin/python3 191: 58# Py_BytesMain in /usr/bin/python3 191: 59# 0x0000FFFF9CCE229C in /lib/aarch64-linux-gnu/libc.so.6 191: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 191: 61# _start in /usr/bin/python3 191: ---------- 191: **** 191: 191: [02:23:42] 191: 191: **** 191: Pre-condition Violation 191: no owner 191: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h 191: Failed Expression: dp_mol 191: ---------- 191: Stacktrace: 191: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 3# RDKit::AtomGetNeighbors(RDKit::Atom*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 6# 0x0000FFFF9C3715C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 191: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 191: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 191: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 191: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 17# 0x0000FFFF99BE4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 18# 0x0000FFFF99BE4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 19# 0x0000FFFF99BE40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 20# 0x0000FFFF99BE4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 21# 0x0000FFFF99BE3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 25# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 26# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 27# 0x0000FFFF9C36E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 28# _PyObject_MakeTpCall in /usr/bin/python3 191: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 30# 0x00000000004C3D1C in /usr/bin/python3 191: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 32# _PyObject_Call_Prepend in /usr/bin/python3 191: 33# 0x000000000052608C in /usr/bin/python3 191: 34# _PyObject_MakeTpCall in /usr/bin/python3 191: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 36# 0x00000000004C3D1C in /usr/bin/python3 191: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 38# _PyObject_Call_Prepend in /usr/bin/python3 191: 39# 0x000000000052608C in /usr/bin/python3 191: 40# _PyObject_MakeTpCall in /usr/bin/python3 191: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 42# 0x00000000004C3D1C in /usr/bin/python3 191: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 44# _PyObject_Call_Prepend in /usr/bin/python3 191: 45# 0x000000000052608C in /usr/bin/python3 191: 46# _PyObject_MakeTpCall in /usr/bin/python3 191: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 48# _PyObject_Call_Prepend in /usr/bin/python3 191: 49# 0x000000000051FB4C in /usr/bin/python3 191: 50# 0x000000000051B324 in /usr/bin/python3 191: 51# _PyObject_MakeTpCall in /usr/bin/python3 191: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 53# PyEval_EvalCode in /usr/bin/python3 191: 54# 0x0000000000595200 in /usr/bin/python3 191: 55# 0x00000000006757AC in /usr/bin/python3 191: 56# _PyRun_SimpleFileObject in /usr/bin/python3 191: 57# _PyRun_AnyFileObject in /usr/bin/python3 191: 58# Py_RunMain in /usr/bin/python3 191: 59# Py_BytesMain in /usr/bin/python3 191: 60# 0x0000FFFF9CCE229C in /lib/aarch64-linux-gnu/libc.so.6 191: 61# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 191: 62# _start in /usr/bin/python3 191: ---------- 191: **** 191: 191: [02:23:42] 191: 191: **** 191: Pre-condition Violation 191: no owner 191: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h 191: Failed Expression: dp_mol 191: ---------- 191: Stacktrace: 191: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 3# RDKit::AtomGetBonds(RDKit::Atom*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 6# 0x0000FFFF9C3715C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 191: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 191: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 191: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 191: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 17# 0x0000FFFF99BE4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 18# 0x0000FFFF99BE4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 19# 0x0000FFFF99BE40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 20# 0x0000FFFF99BE4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 21# 0x0000FFFF99BE3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 25# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 26# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 27# 0x0000FFFF9C36E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 28# _PyObject_MakeTpCall in /usr/bin/python3 191: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 30# 0x00000000004C3D1C in /usr/bin/python3 191: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 32# _PyObject_Call_Prepend in /usr/bin/python3 191: 33# 0x000000000052608C in /usr/bin/python3 191: 34# _PyObject_MakeTpCall in /usr/bin/python3 191: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 36# 0x00000000004C3D1C in /usr/bin/python3 191: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 38# _PyObject_Call_Prepend in /usr/bin/python3 191: 39# 0x000000000052608C in /usr/bin/python3 191: 40# _PyObject_MakeTpCall in /usr/bin/python3 191: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 42# 0x00000000004C3D1C in /usr/bin/python3 191: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 44# _PyObject_Call_Prepend in /usr/bin/python3 191: 45# 0x000000000052608C in /usr/bin/python3 191: 46# _PyObject_MakeTpCall in /usr/bin/python3 191: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 48# _PyObject_Call_Prepend in /usr/bin/python3 191: 49# 0x000000000051FB4C in /usr/bin/python3 191: 50# 0x000000000051B324 in /usr/bin/python3 191: 51# _PyObject_MakeTpCall in /usr/bin/python3 191: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 53# PyEval_EvalCode in /usr/bin/python3 191: 54# 0x0000000000595200 in /usr/bin/python3 191: 55# 0x00000000006757AC in /usr/bin/python3 191: 56# _PyRun_SimpleFileObject in /usr/bin/python3 191: 57# _PyRun_AnyFileObject in /usr/bin/python3 191: 58# Py_RunMain in /usr/bin/python3 191: 59# Py_BytesMain in /usr/bin/python3 191: 60# 0x0000FFFF9CCE229C in /lib/aarch64-linux-gnu/libc.so.6 191: 61# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 191: 62# _start in /usr/bin/python3 191: ---------- 191: **** 191: 191: [02:23:42] 191: 191: **** 191: Pre-condition Violation 191: no owner 191: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h 191: Failed Expression: dp_mol 191: ---------- 191: Stacktrace: 191: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 3# RDKit::AtomIsInRing(RDKit::Atom const*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 6# 0x0000FFFF9C3715C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 191: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 191: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 191: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 191: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 17# 0x0000FFFF99BE4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 18# 0x0000FFFF99BE4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 19# 0x0000FFFF99BE40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 20# 0x0000FFFF99BE4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 21# 0x0000FFFF99BE3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 25# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 26# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 27# 0x0000FFFF9C36E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 28# _PyObject_MakeTpCall in /usr/bin/python3 191: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 30# 0x00000000004C3D1C in /usr/bin/python3 191: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 32# _PyObject_Call_Prepend in /usr/bin/python3 191: 33# 0x000000000052608C in /usr/bin/python3 191: 34# _PyObject_MakeTpCall in /usr/bin/python3 191: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 36# 0x00000000004C3D1C in /usr/bin/python3 191: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 38# _PyObject_Call_Prepend in /usr/bin/python3 191: 39# 0x000000000052608C in /usr/bin/python3 191: 40# _PyObject_MakeTpCall in /usr/bin/python3 191: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 42# 0x00000000004C3D1C in /usr/bin/python3 191: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 44# _PyObject_Call_Prepend in /usr/bin/python3 191: 45# 0x000000000052608C in /usr/bin/python3 191: 46# _PyObject_MakeTpCall in /usr/bin/python3 191: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 48# _PyObject_Call_Prepend in /usr/bin/python3 191: 49# 0x000000000051FB4C in /usr/bin/python3 191: 50# 0x000000000051B324 in /usr/bin/python3 191: 51# _PyObject_MakeTpCall in /usr/bin/python3 191: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 53# PyEval_EvalCode in /usr/bin/python3 191: 54# 0x0000000000595200 in /usr/bin/python3 191: 55# 0x00000000006757AC in /usr/bin/python3 191: 56# _PyRun_SimpleFileObject in /usr/bin/python3 191: 57# _PyRun_AnyFileObject in /usr/bin/python3 191: 58# Py_RunMain in /usr/bin/python3 191: 59# Py_BytesMain in /usr/bin/python3 191: 60# 0x0000FFFF9CCE229C in /lib/aarch64-linux-gnu/libc.so.6 191: 61# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 191: 62# _start in /usr/bin/python3 191: ---------- 191: **** 191: 191: [02:23:42] 191: 191: **** 191: Pre-condition Violation 191: no owner 191: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h 191: Failed Expression: dp_mol 191: ---------- 191: Stacktrace: 191: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 3# RDKit::AtomIsInRingSize(RDKit::Atom const*, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 6# 0x0000FFFF9C3715C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 191: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 191: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 191: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 191: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 17# 0x0000FFFF99BE4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 18# 0x0000FFFF99BE4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 19# 0x0000FFFF99BE40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 20# 0x0000FFFF99BE4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 21# 0x0000FFFF99BE3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 25# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 26# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 27# 0x0000FFFF9C36E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 28# _PyObject_MakeTpCall in /usr/bin/python3 191: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 30# 0x00000000004C3D1C in /usr/bin/python3 191: 31# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 32# _PyObject_Call_Prepend in /usr/bin/python3 191: 33# 0x000000000052608C in /usr/bin/python3 191: 34# _PyObject_MakeTpCall in /usr/bin/python3 191: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 36# 0x00000000004C3D1C in /usr/bin/python3 191: 37# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 38# _PyObject_Call_Prepend in /usr/bin/python3 191: 39# 0x000000000052608C in /usr/bin/python3 191: 40# _PyObject_MakeTpCall in /usr/bin/python3 191: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 42# 0x00000000004C3D1C in /usr/bin/python3 191: 43# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 44# _PyObject_Call_Prepend in /usr/bin/python3 191: 45# 0x000000000052608C in /usr/bin/python3 191: 46# _PyObject_MakeTpCall in /usr/bin/python3 191: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 48# _PyObject_Call_Prepend in /usr/bin/python3 191: 49# 0x000000000051FB4C in /usr/bin/python3 191: 50# 0x000000000051B324 in /usr/bin/python3 191: 51# _PyObject_MakeTpCall in /usr/bin/python3 191: 52# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 53# PyEval_EvalCode in /usr/bin/python3 191: 54# 0x0000000000595200 in /usr/bin/python3 191: 55# 0x00000000006757AC in /usr/bin/python3 191: 56# _PyRun_SimpleFileObject in /usr/bin/python3 191: 57# _PyRun_AnyFileObject in /usr/bin/python3 191: 58# Py_RunMain in /usr/bin/python3 191: 59# Py_BytesMain in /usr/bin/python3 191: 60# 0x0000FFFF9CCE229C in /lib/aarch64-linux-gnu/libc.so.6 191: 61# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 191: 62# _start in /usr/bin/python3 191: ---------- 191: **** 191: 191: .....[02:23:42] 191: 191: **** 191: Range Error 191: atomIdx1 191: Violation occurred on line 496 in file ./Code/GraphMol/RWMol.cpp 191: Failed Expression: 0 < 0 191: ---------- 191: Stacktrace: 191: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 191: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 5# 0x0000FFFF9C3715C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 191: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 191: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 191: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 191: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 16# 0x0000FFFF99BE4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 17# 0x0000FFFF99BE4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 18# 0x0000FFFF99BE40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 19# 0x0000FFFF99BE4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 20# 0x0000FFFF99BE3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 21# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 25# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 26# 0x0000FFFF9C36E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 27# _PyObject_MakeTpCall in /usr/bin/python3 191: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 29# 0x00000000004C3D1C in /usr/bin/python3 191: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 31# _PyObject_Call_Prepend in /usr/bin/python3 191: 32# 0x000000000052608C in /usr/bin/python3 191: 33# _PyObject_MakeTpCall in /usr/bin/python3 191: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 35# 0x00000000004C3D1C in /usr/bin/python3 191: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 37# _PyObject_Call_Prepend in /usr/bin/python3 191: 38# 0x000000000052608C in /usr/bin/python3 191: 39# _PyObject_MakeTpCall in /usr/bin/python3 191: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 41# 0x00000000004C3D1C in /usr/bin/python3 191: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 43# _PyObject_Call_Prepend in /usr/bin/python3 191: 44# 0x000000000052608C in /usr/bin/python3 191: 45# _PyObject_MakeTpCall in /usr/bin/python3 191: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 47# _PyObject_Call_Prepend in /usr/bin/python3 191: 48# 0x000000000051FB4C in /usr/bin/python3 191: 49# 0x000000000051B324 in /usr/bin/python3 191: 50# _PyObject_MakeTpCall in /usr/bin/python3 191: 51# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 52# PyEval_EvalCode in /usr/bin/python3 191: 53# 0x0000000000595200 in /usr/bin/python3 191: 54# 0x00000000006757AC in /usr/bin/python3 191: 55# _PyRun_SimpleFileObject in /usr/bin/python3 191: 56# _PyRun_AnyFileObject in /usr/bin/python3 191: 57# Py_RunMain in /usr/bin/python3 191: 58# Py_BytesMain in /usr/bin/python3 191: 59# 0x0000FFFF9CCE229C in /lib/aarch64-linux-gnu/libc.so.6 191: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 191: 61# _start in /usr/bin/python3 191: ---------- 191: **** 191: 191: ......[02:23:42] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 191: [02:23:42] ERROR: Smiles parse error on line 0 191: [02:23:42] ERROR: Cannot create molecule from : 'c1ccccc' 191: [02:23:42] SMILES Parse Error: extra open parentheses for input: 'C(C' 191: [02:23:42] ERROR: Smiles parse error on line 3 191: [02:23:42] ERROR: Cannot create molecule from : 'C(C' 191: [02:23:42] Explicit valence for atom # 1 C, 5, is greater than permitted 191: [02:23:42] ERROR: Could not sanitize molecule on line 6 191: [02:23:42] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted 191: [02:23:42] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 191: [02:23:42] ERROR: Smiles parse error on line 0 191: [02:23:42] ERROR: Cannot create molecule from : 'c1ccccc' 191: [02:23:42] SMILES Parse Error: extra open parentheses for input: 'C(C' 191: [02:23:42] ERROR: Smiles parse error on line 3 191: [02:23:42] ERROR: Cannot create molecule from : 'C(C' 191: [02:23:42] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC' 191: [02:23:42] ERROR: Smiles parse error on line 6 191: [02:23:42] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC' 191: [02:23:42] Explicit valence for atom # 1 F, 2, is greater than permitted 191: [02:23:42] ERROR: Could not sanitize molecule ending on line 21 191: [02:23:42] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 191: [02:23:42] ERROR: EOF hit while reading atoms 191: [02:23:42] ERROR: moving to the beginning of the next molecule 191: [02:23:42] Explicit valence for atom # 1 F, 2, is greater than permitted 191: [02:23:42] ERROR: Could not sanitize molecule ending on line 21 191: [02:23:42] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 191: [02:23:42] ERROR: EOF hit while reading atoms 191: [02:23:42] ERROR: moving to the beginning of the next molecule 191: ....[02:23:42] 191: 191: **** 191: Pre-condition Violation 191: RingInfo not initialized 191: Violation occurred on line 170 in file ./Code/GraphMol/RingInfo.cpp 191: Failed Expression: df_init 191: ---------- 191: Stacktrace: 191: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 2# RDKit::RingInfo::numRings() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 191: 3# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 5# 0x0000FFFF9C3715C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 191: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 191: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 191: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 191: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 16# 0x0000FFFF99BE4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 17# 0x0000FFFF99BE4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 18# 0x0000FFFF99BE40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 19# 0x0000FFFF99BE4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 20# 0x0000FFFF99BE3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 21# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 25# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 26# 0x0000FFFF9C36E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 27# _PyObject_MakeTpCall in /usr/bin/python3 191: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 29# 0x00000000004C3D1C in /usr/bin/python3 191: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 31# _PyObject_Call_Prepend in /usr/bin/python3 191: 32# 0x000000000052608C in /usr/bin/python3 191: 33# _PyObject_MakeTpCall in /usr/bin/python3 191: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 35# 0x00000000004C3D1C in /usr/bin/python3 191: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 37# _PyObject_Call_Prepend in /usr/bin/python3 191: 38# 0x000000000052608C in /usr/bin/python3 191: 39# _PyObject_MakeTpCall in /usr/bin/python3 191: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 41# 0x00000000004C3D1C in /usr/bin/python3 191: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 43# _PyObject_Call_Prepend in /usr/bin/python3 191: 44# 0x000000000052608C in /usr/bin/python3 191: 45# _PyObject_MakeTpCall in /usr/bin/python3 191: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 47# _PyObject_Call_Prepend in /usr/bin/python3 191: 48# 0x000000000051FB4C in /usr/bin/python3 191: 49# 0x000000000051B324 in /usr/bin/python3 191: 50# _PyObject_MakeTpCall in /usr/bin/python3 191: 51# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 52# PyEval_EvalCode in /usr/bin/python3 191: 53# 0x0000000000595200 in /usr/bin/python3 191: 54# 0x00000000006757AC in /usr/bin/python3 191: 55# _PyRun_SimpleFileObject in /usr/bin/python3 191: 56# _PyRun_AnyFileObject in /usr/bin/python3 191: 57# Py_RunMain in /usr/bin/python3 191: 58# Py_BytesMain in /usr/bin/python3 191: 59# 0x0000FFFF9CCE229C in /lib/aarch64-linux-gnu/libc.so.6 191: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 191: 61# _start in /usr/bin/python3 191: ---------- 191: **** 191: 191: ............[02:23:42] 191: 191: **** 191: Range Error 191: idx 191: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp 191: Failed Expression: 3 < 1 191: ---------- 191: Stacktrace: 191: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 191: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 191: 3# boost::python::objects::caller_py_function_impl >, boost::mpl::vector3 > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 5# 0x0000FFFF9C3715C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 6# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 7# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so 191: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so 191: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so 191: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so 191: 12# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 13# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 191: 14# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 191: 15# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 16# 0x0000FFFF99BE4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 17# 0x0000FFFF99BE4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 18# 0x0000FFFF99BE40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 19# 0x0000FFFF99BE4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 20# 0x0000FFFF99BE3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 191: 21# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 22# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 23# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 24# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 191: 25# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 26# 0x0000FFFF9C36E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 191: 27# _PyObject_MakeTpCall in /usr/bin/python3 191: 28# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 29# 0x00000000004C3D1C in /usr/bin/python3 191: 30# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 31# _PyObject_Call_Prepend in /usr/bin/python3 191: 32# 0x000000000052608C in /usr/bin/python3 191: 33# _PyObject_MakeTpCall in /usr/bin/python3 191: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 35# 0x00000000004C3D1C in /usr/bin/python3 191: 36# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 37# _PyObject_Call_Prepend in /usr/bin/python3 191: 38# 0x000000000052608C in /usr/bin/python3 191: 39# _PyObject_MakeTpCall in /usr/bin/python3 191: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 41# 0x00000000004C3D1C in /usr/bin/python3 191: 42# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 43# _PyObject_Call_Prepend in /usr/bin/python3 191: 44# 0x000000000052608C in /usr/bin/python3 191: 45# _PyObject_MakeTpCall in /usr/bin/python3 191: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 47# _PyObject_Call_Prepend in /usr/bin/python3 191: 48# 0x000000000051FB4C in /usr/bin/python3 191: 49# 0x000000000051B324 in /usr/bin/python3 191: 50# _PyObject_MakeTpCall in /usr/bin/python3 191: 51# _PyEval_EvalFrameDefault in /usr/bin/python3 191: 52# PyEval_EvalCode in /usr/bin/python3 191: 53# 0x0000000000595200 in /usr/bin/python3 191: 54# 0x00000000006757AC in /usr/bin/python3 191: 55# _PyRun_SimpleFileObject in /usr/bin/python3 191: 56# _PyRun_AnyFileObject in /usr/bin/python3 191: 57# Py_RunMain in /usr/bin/python3 191: 58# Py_BytesMain in /usr/bin/python3 191: 59# 0x0000FFFF9CCE229C in /lib/aarch64-linux-gnu/libc.so.6 191: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 191: 61# _start in /usr/bin/python3 191: ---------- 191: **** 191: 191: ...[02:23:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 191: ............................[02:23:42] SMILES Parse Error: unclosed ring for input: 'C1CC' 191: ......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| 191: 643 191: ..[02:23:42] WARNING: not removing hydrogen atom without neighbors 191: [02:23:42] WARNING: not removing hydrogen atom with dummy atom neighbors 191: [02:23:42] WARNING: not removing hydrogen atom with wedged bond 191: [02:23:42] WARNING: not removing hydrogen atom without neighbors 191: [02:23:42] WARNING: not removing hydrogen atom with dummy atom neighbors 191: ......[02:23:42] Explicit valence for atom # 1 F, 2, is greater than permitted 191: [02:23:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 191: .[02:23:42] Explicit valence for atom # 1 F, 2, is greater than permitted 191: [02:23:42] Explicit valence for atom # 1 F, 2, is greater than permitted 191: [02:23:42] Explicit valence for atom # 1 F, 2, is greater than permitted 191: [02:23:42] Explicit valence for atom # 1 F, 2, is greater than permitted 191: [02:23:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 191: [02:23:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 191: [02:23:42] Can't kekulize mol. Unkekulized atoms: 0 1 2 191: ..........[02:23:43] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname 191: [02:23:43] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname' 191: .[02:23:43] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname 191: [02:23:43] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname' 191: ..[02:23:43] SMILES Parse Error: syntax error while parsing: error 191: [02:23:43] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error' 191: [02:23:43] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd' 191: [02:23:43] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error' 191: [02:23:43] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd' 191: .........................[02:23:43] SMILES Parse Error: syntax error while parsing: garbage_0 191: [02:23:43] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0' 191: [02:23:43] SMILES Parse Error: syntax error while parsing: garbage_2 191: [02:23:43] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2' 191: [02:23:43] SMILES Parse Error: syntax error while parsing: garbage_4 191: [02:23:43] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4' 191: ........... 191: ---------------------------------------------------------------------- 191: Ran 277 tests in 9.837s 191: 191: OK 191: supplier: 191: supplier: 191: supplier: 197/230 Test #191: pyGraphMolWrap ......................... Passed 10.60 sec test 209 Start 209: testScaffoldNetwork 209: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork 209: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork 209: Test timeout computed to be: 1500 208: .....[02:23:44] Tautomer enumeration stopped at 292 tautomers: max transforms reached 208: [02:23:44] Tautomer enumeration stopped at 50 tautomers: max tautomers reached 208: .[02:23:44] Tautomer enumeration stopped at 31 tautomers: canceled 208: Enumeration was canceled due to timeout (50 ms) 181: ......[02:23:44] 181: 181: **** 181: Pre-condition Violation 181: RingInfo not initialized 181: Violation occurred on line 52 in file ./Code/GraphMol/RingInfo.cpp 181: Failed Expression: df_init 181: ---------- 181: Stacktrace: 181: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 181: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 181: 2# RDKit::RingInfo::numAtomRings(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 181: 3# RDKit::AtomRingQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1 181: 4# Queries::AndQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 181: 5# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 181: 6# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 181: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 181: 8# 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 181: 9# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 181: 10# bool RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 11# bool RDKit::HasSubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 12# 0x0000FFFF8C674FD0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 13# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 181: 14# 0x0000FFFF8ECD15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 181: 15# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 181: 16# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 181: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 181: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 181: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 20# 0x0000FFFF8C5D4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 21# 0x0000FFFF8C5D4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 22# 0x0000FFFF8C5D40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 23# 0x0000FFFF8C5D4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 24# 0x0000FFFF8C5D3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 25# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 181: 26# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 181: 27# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 181: 28# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 181: 29# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 181: 30# 0x0000FFFF8ECCE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 181: 31# _PyObject_MakeTpCall in /usr/bin/python3 181: 32# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 33# 0x00000000004C3D1C in /usr/bin/python3 181: 34# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 35# _PyObject_Call_Prepend in /usr/bin/python3 181: 36# 0x000000000052608C in /usr/bin/python3 181: 37# _PyObject_MakeTpCall in /usr/bin/python3 181: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 39# 0x00000000004C3D1C in /usr/bin/python3 181: 40# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 41# _PyObject_Call_Prepend in /usr/bin/python3 181: 42# 0x000000000052608C in /usr/bin/python3 181: 43# _PyObject_MakeTpCall in /usr/bin/python3 181: 44# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 45# 0x00000000004C3D1C in /usr/bin/python3 181: 46# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 47# _PyObject_Call_Prepend in /usr/bin/python3 181: 48# 0x000000000052608C in /usr/bin/python3 181: 49# _PyObject_MakeTpCall in /usr/bin/python3 181: 50# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 51# _PyObject_Call_Prepend in /usr/bin/python3 181: 52# 0x000000000051FB4C in /usr/bin/python3 181: 53# 0x000000000051B324 in /usr/bin/python3 181: 54# _PyObject_MakeTpCall in /usr/bin/python3 181: 55# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 56# PyEval_EvalCode in /usr/bin/python3 181: 57# 0x0000000000595200 in /usr/bin/python3 181: 58# 0x00000000006757AC in /usr/bin/python3 181: 59# _PyRun_SimpleFileObject in /usr/bin/python3 181: 60# _PyRun_AnyFileObject in /usr/bin/python3 181: 61# Py_RunMain in /usr/bin/python3 181: 62# Py_BytesMain in /usr/bin/python3 181: 63# 0x0000FFFF8F4B229C in /lib/aarch64-linux-gnu/libc.so.6 181: 64# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 181: 65# _start in /usr/bin/python3 181: ---------- 181: **** 181: 181: [02:23:44] 181: 181: **** 181: Pre-condition Violation 181: RingInfo not initialized 181: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp 181: Failed Expression: df_init 181: ---------- 181: Stacktrace: 181: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 181: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 181: 2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 181: 3# 0x0000FFFF8C141748 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 181: 4# Queries::EqualityQuery::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1 181: 5# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 181: 6# boost::detail::VF2SubState const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 181: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 181: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 181: 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-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 181: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1 181: 11# bool RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector, std::allocator > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 12# bool RDKit::HasSubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 13# 0x0000FFFF8C674FD0 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 14# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 181: 15# 0x0000FFFF8ECD15C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 181: 16# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 181: 17# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 181: 18# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so 181: 19# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so 181: 20# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 21# 0x0000FFFF8C5D4180 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 22# 0x0000FFFF8C5D4118 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 23# 0x0000FFFF8C5D40A8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 24# 0x0000FFFF8C5D4040 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 25# 0x0000FFFF8C5D3FD8 in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so 181: 26# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 181: 27# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 181: 28# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 181: 29# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 181: 30# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 181: 31# 0x0000FFFF8ECCE19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 181: 32# _PyObject_MakeTpCall in /usr/bin/python3 181: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 34# 0x00000000004C3D1C in /usr/bin/python3 181: 35# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 36# _PyObject_Call_Prepend in /usr/bin/python3 181: 37# 0x000000000052608C in /usr/bin/python3 181: 38# _PyObject_MakeTpCall in /usr/bin/python3 181: 39# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 40# 0x00000000004C3D1C in /usr/bin/python3 181: 41# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 42# _PyObject_Call_Prepend in /usr/bin/python3 181: 43# 0x000000000052608C in /usr/bin/python3 181: 44# _PyObject_MakeTpCall in /usr/bin/python3 181: 45# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 46# 0x00000000004C3D1C in /usr/bin/python3 181: 47# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 48# _PyObject_Call_Prepend in /usr/bin/python3 181: 49# 0x000000000052608C in /usr/bin/python3 181: 50# _PyObject_MakeTpCall in /usr/bin/python3 181: 51# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 52# _PyObject_Call_Prepend in /usr/bin/python3 181: 53# 0x000000000051FB4C in /usr/bin/python3 181: 54# 0x000000000051B324 in /usr/bin/python3 181: 55# _PyObject_MakeTpCall in /usr/bin/python3 181: 56# _PyEval_EvalFrameDefault in /usr/bin/python3 181: 57# PyEval_EvalCode in /usr/bin/python3 181: 58# 0x0000000000595200 in /usr/bin/python3 181: 59# 0x00000000006757AC in /usr/bin/python3 181: 60# _PyRun_SimpleFileObject in /usr/bin/python3 181: 61# _PyRun_AnyFileObject in /usr/bin/python3 181: 62# Py_RunMain in /usr/bin/python3 181: 63# Py_BytesMain in /usr/bin/python3 181: 64# 0x0000FFFF8F4B229C in /lib/aarch64-linux-gnu/libc.so.6 181: 65# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 181: 66# _start in /usr/bin/python3 181: ---------- 181: **** 181: 198/230 Test #195: pyTestThreads .......................... Passed 10.26 sec test 210 Start 210: pyScaffoldNetwork 210: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py" 210: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap 210: Test timeout computed to be: 1500 209: Randomness seeded to: 3543472329 209: =============================================================================== 209: All tests passed (269 assertions in 19 test cases) 209: 199/230 Test #209: testScaffoldNetwork .................... Passed 3.38 sec test 211 Start 211: pyScaffoldNetworkPickling 211: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py" 211: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap 211: Test timeout computed to be: 1500 210: ....... 210: ---------------------------------------------------------------------- 210: Ran 7 tests in 0.181s 210: 210: OK 208: Enumeration has completed 208: [02:23:47] Tautomer enumeration stopped at 86 tautomers: canceled 200/230 Test #210: pyScaffoldNetwork ...................... Passed 1.63 sec test 212 Start 212: testMolEnumerator 212: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator 212: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator 212: Test timeout computed to be: 1500 212: Randomness seeded to: 3016849774 212: [02:23:47] can only enumerate SRUs with CONNECT=HT or CONNECT=HH 208: ..........[02:23:47] Explicit valence for atom # 1 N, 4, is greater than permitted 208: [02:23:47] Explicit valence for atom # 1 N, 4, is greater than permitted 208: [02:23:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 212: =============================================================================== 212: All tests passed (321 assertions in 16 test cases) 212: 201/230 Test #212: testMolEnumerator ...................... Passed 0.12 sec test 213 Start 213: pyMolEnumerator 213: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolEnumerator/Wrap/rough_test.py" 213: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap 213: Test timeout computed to be: 1500 211: . 211: ---------------------------------------------------------------------- 211: Ran 1 test in 0.033s 211: 211: OK 208: [02:23:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 202/230 Test #211: pyScaffoldNetworkPickling .............. Passed 0.82 sec test 214 Start 214: testAbbreviations 214: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations 214: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations 214: Test timeout computed to be: 1500 214: Randomness seeded to: 674779513 214: [02:23:47] SMARTS Parse Error: syntax error while parsing: *fail 214: [02:23:47] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail' 214: [02:23:47] no suitable SubstanceGroups found 214: =============================================================================== 214: All tests passed (195 assertions in 12 test cases) 214: 203/230 Test #214: testAbbreviations ...................... Passed 0.08 sec test 215 Start 215: pyAbbreviations 215: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py" 215: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap 215: Test timeout computed to be: 1500 213: ... 213: ---------------------------------------------------------------------- 213: Ran 3 tests in 0.020s 213: 213: OK 204/230 Test #213: pyMolEnumerator ........................ Passed 0.77 sec test 216 Start 216: generalizedSubstructCatch 216: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch 216: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct 216: Test timeout computed to be: 1500 148: --------------------------------- 148: test getO3AForProbeConfs 148: 148: *********************************************************** 205/230 Test #148: testO3AAlign ........................... Passed 49.11 sec test 217 Start 217: pyGeneralizedSubstruct 217: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py" 217: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap 217: Test timeout computed to be: 1500 215: ....... 215: ---------------------------------------------------------------------- 215: Ran 7 tests in 0.037s 215: 215: OK 145: [02:23:48] UFFTYPER: Unrecognized atom type: S_6+6 (0) 145: [02:23:48] UFFTYPER: Warning: hybridization set to SP3 for atom 0 145: [02:23:48] UFFTYPER: Unrecognized charge state for atom: 0 206/230 Test #215: pyAbbreviations ........................ Passed 0.93 sec test 218 Start 218: testMolProcessing 218: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/testMolProcessing 218: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing 218: Test timeout computed to be: 1500 216: Randomness seeded to: 2853072494 216: =============================================================================== 216: All tests passed (486 assertions in 10 test cases) 216: 207/230 Test #216: generalizedSubstructCatch .............. Passed 0.90 sec test 219 Start 219: pyMolProcessing 219: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/GraphMol/MolProcessing/Wrap/testMolProcessing.py" 219: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/Wrap 219: Test timeout computed to be: 1500 208: ............[02:23:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 208: [02:23:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored. 208: [02:23:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored. 217: ....... 217: ---------------------------------------------------------------------- 217: Ran 7 tests in 0.976s 217: 217: OK 208: ........[02:23:50] Explicit valence for atom # 1 O, 3, is greater than permitted 208: . 208: ---------------------------------------------------------------------- 208: Ran 37 tests in 7.634s 208: 208: OK 208: done 219: .. 219: ---------------------------------------------------------------------- 219: Ran 2 tests in 0.409s 219: 219: OK 208/230 Test #208: pyMolStandardize ....................... Passed 8.50 sec test 220 Start 220: testQuery 220: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Query/testQuery 220: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/Query 220: Test timeout computed to be: 1500 220: Query 220: Query2 220: Equality 220: Greater 220: GreaterEqual 220: Less 220: LessEqual 220: Open Range 220: Closed Range 220: Float 220: With Tolerance 220: Set 220: And 220: Or 220: XOr 220: pointer and copy foo 220: Set2 209/230 Test #219: pyMolProcessing ........................ Passed 1.86 sec 210/230 Test #220: testQuery .............................. Passed 0.02 sec test 221 Start 221: testMatCalc 221: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/testMatCalc 221: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc 221: Test timeout computed to be: 1500 test 222 Start 222: pyMatCalc 222: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py" 222: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap 222: Test timeout computed to be: 1500 221: 1.68022e+08 221: 1.73149e+08 221: 1.05549e+08 221: 7.20603e+07 221: 1.41535e+08 221: 1.08592e+08 221: 1.11334e+08 221: 2.05553e+08 221: 1.54962e+08 221: 8.08231e+07 221: 5.61421e+07 221: 1.28874e+08 221: 1.59011e+08 221: 8.69902e+07 221: 1.31367e+08 221: 2.27389e+08 221: 1.60289e+08 221: 7.79813e+07 221: 1.61001e+08 221: 2.07599e+08 221: 2.24432e+08 221: 1.39725e+08 221: 2.42614e+08 221: 1.77578e+08 221: 1.05908e+08 221: 9.06742e+07 221: 1.8087e+08 221: 1.98182e+08 221: 2.03052e+08 221: 1.7673e+08 221: 9.32798e+07 221: 1.37969e+08 221: 1.83778e+08 221: 2.1228e+08 221: 5.06157e+07 221: 1.566e+08 221: 2.37142e+08 221: 1.49345e+08 221: 7.05819e+07 221: 1.71633e+08 221: 1.96817e+08 221: 2.18246e+08 221: 9.49496e+07 221: 2.25618e+08 221: 1.30219e+08 211/230 Test #221: testMatCalc ............................ Passed 0.06 sec test 223 Start 223: testSimDivPickers 223: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/SimDivPickers/testSimDivPickers 223: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/SimDivPickers 223: Test timeout computed to be: 1500 223: [02:23:51] ------------------------------------- 223: [02:23:51] Testing github issue 1421: MaxMinPicker picking non-existent element. 223: [02:23:51] Done 223: [02:23:51] ------------------------------------- 223: [02:23:51] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour. 223: [02:23:51] Done 212/230 Test #217: pyGeneralizedSubstruct ................. Passed 2.72 sec 213/230 Test #223: testSimDivPickers ...................... Passed 0.01 sec test 224 Start 224: pickersTestsCatch 224: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/SimDivPickers/pickersTestsCatch 224: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/SimDivPickers 224: Test timeout computed to be: 1500 test 225 Start 225: pySimDivPickers 225: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/SimDivPickers/Wrap/testPickers.py" 225: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap 225: Test timeout computed to be: 1500 224: Randomness seeded to: 2820465854 224: =============================================================================== 224: All tests passed (21267 assertions in 1 test case) 224: 214/230 Test #224: pickersTestsCatch ...................... Passed 0.26 sec test 226 Start 226: pyRanker 226: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/ML/InfoTheory/Wrap/testRanker.py" 226: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap 226: Test timeout computed to be: 1500 218: Randomness seeded to: 1212292203 218: =============================================================================== 218: All tests passed (203 assertions in 1 test case) 218: 215/230 Test #218: testMolProcessing ...................... Passed 3.12 sec test 227 Start 227: testChemicalFeatures 227: Test command: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ChemicalFeatures/testChemicalFeatures 227: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ChemicalFeatures 227: Test timeout computed to be: 1500 226: ..[02:23:51] 226: 226: **** 226: Invariant Violation 226: Can't rank more bits than the ensemble size 226: Violation occurred on line 156 in file ./Code/ML/InfoTheory/InfoBitRanker.cpp 226: Failed Expression: num <= dp_maskBits->getNumOnBits() 226: ---------- 226: Stacktrace: 226: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 226: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1 226: 2# RDInfoTheory::InfoBitRanker::getTopN(unsigned int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu//lib/libRDKitInfoTheory.so.1 226: 3# RDInfoTheory::getTopNbits(RDInfoTheory::InfoBitRanker*, int) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so 226: 4# boost::python::objects::caller_py_function_impl > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so 226: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 226: 6# 0x0000FFFF97B415C0 in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 226: 7# boost::python::detail::exception_handler::operator()(boost::function0 const&) const in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 226: 8# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 226: 9# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 226: 10# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 226: 11# boost::detail::function::function_obj_invoker2, boost::_bi::list3, boost::arg<2>, boost::_bi::value > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) in /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/rdBase.so 226: 12# boost::python::handle_exception_impl(boost::function0) in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 226: 13# 0x0000FFFF97B3E19C in /lib/aarch64-linux-gnu/libboost_python312.so.1.83.0 226: 14# _PyObject_MakeTpCall in /usr/bin/python3 226: 15# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 16# 0x00000000004C3D1C in /usr/bin/python3 226: 17# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 18# _PyObject_Call_Prepend in /usr/bin/python3 226: 19# 0x000000000052608C in /usr/bin/python3 226: 20# _PyObject_MakeTpCall in /usr/bin/python3 226: 21# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 22# 0x00000000004C3D1C in /usr/bin/python3 226: 23# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 24# _PyObject_Call_Prepend in /usr/bin/python3 226: 25# 0x000000000052608C in /usr/bin/python3 226: 26# _PyObject_MakeTpCall in /usr/bin/python3 226: 27# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 28# 0x00000000004C3D1C in /usr/bin/python3 226: 29# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 30# _PyObject_Call_Prepend in /usr/bin/python3 226: 31# 0x000000000052608C in /usr/bin/python3 226: 32# _PyObject_MakeTpCall in /usr/bin/python3 226: 33# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 34# _PyObject_Call_Prepend in /usr/bin/python3 226: 35# 0x000000000051FB4C in /usr/bin/python3 226: 36# 0x000000000051B324 in /usr/bin/python3 226: 37# _PyObject_MakeTpCall in /usr/bin/python3 226: 38# _PyEval_EvalFrameDefault in /usr/bin/python3 226: 39# PyEval_EvalCode in /usr/bin/python3 226: 40# 0x0000000000595200 in /usr/bin/python3 226: 41# 0x00000000006757AC in /usr/bin/python3 226: 42# _PyRun_SimpleFileObject in /usr/bin/python3 226: 43# _PyRun_AnyFileObject in /usr/bin/python3 226: 44# Py_RunMain in /usr/bin/python3 226: 45# Py_BytesMain in /usr/bin/python3 226: 46# 0x0000FFFF99F8229C in /lib/aarch64-linux-gnu/libc.so.6 226: 47# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6 226: 48# _start in /usr/bin/python3 226: ---------- 226: **** 226: 226: ... 226: ---------------------------------------------------------------------- 226: Ran 5 tests in 0.025s 226: 226: OK 227: ----------------------------------------- 227: Test1 227: Done 216/230 Test #227: testChemicalFeatures ................... Passed 0.04 sec test 228 Start 228: pyFeatures 228: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.2/Code/ChemicalFeatures/Wrap/testFeatures.py" 228: Working Directory: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap 228: Test timeout computed to be: 1500 217/230 Test #226: pyRanker ............................... Passed 0.66 sec test 229 Start 229: pythonProjectTests 229: Test command: /usr/bin/python3 "-m" "pytest" 229: Working Directory: /build/reproducible-path/rdkit-202409.2/Projects 229: Test timeout computed to be: 1500 225: [02:23:51] the useCache argument is deprecated and ignored 222: ..... 222: ---------------------------------------------------------------------- 222: Ran 5 tests in 0.397s 222: 222: OK 218/230 Test #222: pyMatCalc .............................. Passed 1.15 sec test 230 Start 230: pythonSourceTests 230: Test command: /usr/bin/python3 "-m" "pytest" 230: Working Directory: /build/reproducible-path/rdkit-202409.2/rdkit 230: Test timeout computed to be: 1500 228: .. 228: ---------------------------------------------------------------------- 228: Ran 2 tests in 0.003s 228: 228: OK 228: Testing ChemicalFeatures Wrapper code: 219/230 Test #228: pyFeatures ............................. Passed 0.64 sec 225: ...[02:23:52] the useCache argument is deprecated and ignored 225: [02:23:52] the useCache argument is deprecated and ignored 225: .[02:23:52] the useCache argument is deprecated and ignored 229: ============================= test session starts ============================== 229: platform linux -- Python 3.12.8, pytest-8.3.4, pluggy-1.5.0 229: rootdir: /build/reproducible-path/rdkit-202409.2/Projects 229: configfile: pytest.ini 229: plugins: typeguard-4.4.1 229: collected 12 items 229: 230: ImportError while loading conftest '/build/reproducible-path/rdkit-202409.2/rdkit/conftest.py'. 230: __init__.py:6: in 230: from . import rdBase 230: E ImportError: cannot import name 'rdBase' from partially initialized module 'rdkit' (most likely due to a circular import) (/build/reproducible-path/rdkit-202409.2/rdkit/__init__.py) 220/230 Test #230: pythonSourceTests ......................***Failed 1.37 sec ImportError while loading conftest '/build/reproducible-path/rdkit-202409.2/rdkit/conftest.py'. __init__.py:6: in from . import rdBase E ImportError: cannot import name 'rdBase' from partially initialized module 'rdkit' (most likely due to a circular import) (/build/reproducible-path/rdkit-202409.2/rdkit/__init__.py) 225: ....... 225: ---------------------------------------------------------------------- 225: Ran 11 tests in 3.285s 225: 225: OK 221/230 Test #225: pySimDivPickers ........................ Passed 4.17 sec 31: [02:23:59] Finished 31: [02:23:59] ------------------------------------- 31: [02:23:59] Test github1843: RWMol.clear() should not destroy ring pointer. 31: [02:23:59] Finished 31: [02:23:59] ------------------------------------- 31: [02:23:59] Test Github 6370: non-physical radical counts being preserved 31: [02:23:59] Finished 222/230 Test #31: graphmolTest1 .......................... Passed 73.89 sec 181: ............. 181: ---------------------------------------------------------------------- 181: Ran 19 tests in 39.732s 181: 181: OK 181: Testing atom rings 181: testing bond rings 181: searching atom rings 181: searching bond rings 181: done 223/230 Test #181: pySubstructLibrary ..................... Passed 41.04 sec 206: [02:24:06] Explicit valence for atom # 0 Br, 1, is greater than permitted 206: =============================================================================== 206: All tests passed (38339 assertions in 50 test cases) 206: 224/230 Test #206: molStandardizeCatchTest ................ Passed 27.44 sec 144: [02:24:07] done 144: [02:24:07] --------------------------------- 144: [02:24:07] test github issue 256: handling of zero-atom molecules 144: 144: [02:24:07] --------------------------------- 144: [02:24:07] test embedder callback function 144: [02:24:07] --------------------------------- 144: [02:24:07] test multi-threaded multi-conf embedding 144: 144: [02:24:10] --------------------------------- 144: [02:24:10] test github issue 563: Incorrect ring stereochemistry after embedding 144: 144: CNC[C@H]1CC[C@H](C[NH3+])CC1 144: [02:24:11] --------------------------------- 144: [02:24:11] test github issue 568: Incorrect stereochemistry after embedding 144: 144: C1=NC[C@]2(CN3CC[C@@H]2C3)O1 144: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2 144: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 144: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21 144: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O 144: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 144: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 144: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 144: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 144: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O 144: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21 145: =============================================================================== 145: All tests passed (12735 assertions in 18 test cases) 145: 225/230 Test #145: distGeomHelpersCatch ................... Passed 78.33 sec 144: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2 144: CN1CC[C@H]2COc3c(O)cccc3[C@H]21 144: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 169: =============================================================================== 169: All tests passed (93 assertions in 5 test cases) 169: 226/230 Test #169: testRascalCluster ...................... Passed 68.34 sec 144: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1 229: DbCLI/UnitTestDbCLI.py ............ [100%] 229: 229: =============================== warnings summary =============================== 229: ../obj-aarch64-linux-gnu/rdkit/Chem/MolDb/Loader_sa.py:20 229: /build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu/rdkit/Chem/MolDb/Loader_sa.py:20: 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) 229: decBase = declarative_base() 229: 229: -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html 229: ======================== 12 passed, 1 warning in 24.90s ======================== 144: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 227/230 Test #229: pythonProjectTests ..................... Passed 25.57 sec 144: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O 144: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O 144: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 144: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5 144: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2 144: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5 144: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1 144: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1 144: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1 144: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 144: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12 144: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-] 168: =============================================================================== 168: All tests passed (2923 assertions in 27 test cases) 168: 228/230 Test #168: testRascalMCES ......................... Passed 76.14 sec 144: [02:24:27] Molecule does not have explicit Hs. Consider calling AddHs() 144: [02:24:23] --------------------------------- 144: [02:24:23] test github issue 696: Bad 1-4 bounds matrix elements in highly constrained system 144: [02:24:23] --------------------------------- 144: [02:24:23] More ChEMBL molecules failing bounds smoothing. 144: [02:24:23] --------------------------------- 144: [02:24:23] ugly conformations can be generated for highly constrained ring systems. 144: [02:24:23] --------------------------------- 144: [02:24:23] test embed parameters structure. 144: [02:24:23] --------------------------------- 144: [02:24:23] test github 1227: Hs being used in RMSD filtering. 144: [02:24:23] --------------------------------- 144: [02:24:23] Failure to embed larger aromatic rings. 144: [02:24:25] --------------------------------- 144: [02:24:25] Deterministic with large random seeds 144: [02:24:26] --------------------------------- 144: [02:24:26] Github #1990: seg fault after RemoveHs 144: [02:24:26] --------------------------------- 144: [02:24:26] Github #2246: Use coordMap when starting embedding from random coords 144: [02:24:27] --------------------------------- 144: [02:24:27] Providing a distance bounds matrix. 144: [02:24:27] --------------------------------- 144: [02:24:27] Disabling fragmentation. 144: [02:24:27] --------------------------------- 144: [02:24:27] Using symmetry in conformation pruning. 144: [02:24:27] --------------------------------- 144: [02:24:27] Force trans amides. 144: [02:24:27] --------------------------------- 144: [02:24:27] test missing Hs warning. 144: [02:24:27] --------------------------------- 144: [02:24:27] basic H bond support. 144: [02:24:27] ******************************************************* 229/230 Test #144: testDistGeomHelpers .................... Passed 90.20 sec 5: [02:30:02] Finished: testMultipleTimes() 5: [02:30:02] 5: ----------------------------------------- 230/230 Test #5: testConcurrentQueue .................... Passed 437.28 sec 99% tests passed, 1 tests failed out of 230 Total Test time (real) = 437.34 sec The following tests FAILED: 230 - pythonSourceTests (Failed) Errors while running CTest make[2]: *** [Makefile:94: test] Error 8 make[2]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' dh_auto_test: error: cd obj-aarch64-linux-gnu && make -j12 test ARGS\+=--verbose ARGS\+=-j12 returned exit code 2 make[1]: [debian/rules:149: override_dh_auto_test] Error 25 (ignored) make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.2' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=cmake dh_prep -O--buildsystem=cmake dh_installdirs -O--buildsystem=cmake debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/rdkit-202409.2' dh_auto_install cd obj-aarch64-linux-gnu && make -j12 install DESTDIR=/build/reproducible-path/rdkit-202409.2/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/rdkit-202409.2 -B/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 preinstall make[3]: Entering directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make[3]: Nothing to be done for 'preinstall'. make[3]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "None" -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/__pycache__ -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/__pycache__/__init__.cpython-312.pyc -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/utils -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/utils/spiral.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/utils/retest.txt -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/utils/listutils.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/utils/fileutils.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/utils/chemutils.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/utils/chemdraw_qax.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/utils/chemdraw.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/utils/cactvs.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/utils/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/utils.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/util -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/util/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/util/HTMLPiddler.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/tests -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/tests/testallps.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/tests/pstests.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/tests/pidtest.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/tests/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/stringformat.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/pid.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/patches -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/pagesizes.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/examples -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/examples/formatted-strings.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/colors.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/WX -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/WX/pidWxDc.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/WX/pidWX.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/WX/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/TK -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/TK/pidTK.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/TK/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/SVG -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/SVG/pidSVG.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/SVG/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/ReportLab -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/ReportLab/pidReportLab.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/ReportLab/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/README -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/Qt -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/Qt/pidQt4.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/Qt/pidQt.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/Qt/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/Pyart -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/Pyart/pidPyart.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/Pyart/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/Pyart/Fontmapping.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PS -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PS/psmetrics.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PS/pidPS.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PS/latin1MetricsCache.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PS/fontinfo.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PS/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-8.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-14.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-10.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/removemedium.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/metrics.dat -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pil -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pbm -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/pidPIL.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PIL/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/sping/PDF -- Installing: 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/build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Scoring -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Scoring/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Scoring/Scoring.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/SLT -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/SLT/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/SLT/Risk.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/MatOps.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/MLUtils -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/MLUtils/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/MLUtils/VoteImg.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/InfoTheory -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/InfoTheory/entropy.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/InfoTheory/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/InfoTheory/BitRank.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/InfoTheory/BitClusterer.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Descriptors -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Descriptors/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Descriptors/Parser.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Descriptors/Descriptors.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Descriptors/CompoundDescriptors.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Data -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Data/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Data/Transforms.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Data/Stats.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Data/SplitData.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Data/Quantize.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Data/MLData.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Data/FindQuantBounds.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Data/DataUtils.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Cluster -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Cluster/murtagh_test.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Cluster/__init__.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Cluster/Standardize.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Cluster/Resemblance.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Cluster/Murtagh.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Cluster/Clusters.py -- Installing: 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Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/GraphDescriptors.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/FunctionalGroups.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/Fragments.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/FragmentMatcher.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/FragmentCatalog.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/Fraggle -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/Fraggle/__init__.py -- Installing: 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/build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/Invariant.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/RDAny.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/RDValue.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/RDValue-doublemagic.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/RDValue-taggedunion.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/RDLog.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/RDProps.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/RDThreads.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/StreamOps.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/types.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/utils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/versions.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/RDConfig.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/LocaleSwitcher.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/Ranking.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/hanoiSort.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/RDExportMacros.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/export.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/test.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/ConcurrentQueue.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/hash -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash.hpp -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/hash/extensions.hpp -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/hash_float.hpp -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/float_functions.hpp -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRDBoost.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRDBoost.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRDBoost.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDBoost/Wrap.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDBoost/PySequenceHolder.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDBoost/list_indexing_suite.hpp -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDBoost/python.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDBoost/boost_numpy.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDBoost/python_streambuf.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDBoost/pyint_api.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/rdBase.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRDStreams.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRDStreams.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRDStreams.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/RDStreams/streams.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDataStructs.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDataStructs.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDataStructs.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/base64.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/BitOps.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/BitVect.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/BitVects.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/BitVectUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/DatastructsException.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/DatastructsStreamOps.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/DiscreteDistMat.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/DiscreteValueVect.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/ExplicitBitVect.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/SparseBitVect.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/SparseIntVect.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/FPBReader.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataStructs/MultiFPBReader.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/DataStructs/cDataStructs.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRDGeometryLib.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRDGeometryLib.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRDGeometryLib.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Geometry/Grid3D.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Geometry/GridUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Geometry/point.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Geometry/Transform2D.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Geometry/Transform3D.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Geometry/Transform.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Geometry/UniformGrid3D.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Geometry/Utils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Geometry/rdGeometry.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitAlignment.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitAlignment.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitAlignment.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Numerics/Alignment/AlignPoints.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Numerics/rdAlignment.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitEigenSolvers.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitEigenSolvers.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitEigenSolvers.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Numerics/EigenSolvers/PowerEigenSolver.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitOptimizer.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitOptimizer.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitOptimizer.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Numerics/Optimizer/BFGSOpt.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Numerics/Matrix.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Numerics/SquareMatrix.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Numerics/SymmMatrix.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Numerics/Vector.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Numerics/Conrec.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitForceField.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitForceField.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitForceField.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/Contrib.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/ForceField.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/AngleConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/AngleConstraints.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/DistanceConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/DistanceConstraints.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/PositionConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/TorsionConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/AngleBend.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/BondStretch.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/Contribs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/DistanceConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/AngleConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/TorsionConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/PositionConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/Nonbonded.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/Params.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/Utils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/Inversion.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/Inversions.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/UFF/TorsionAngle.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/AngleBend.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/BondStretch.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/StretchBend.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/OopBend.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/TorsionAngle.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/Nonbonded.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/Contribs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/DistanceConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/AngleConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/TorsionConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/PositionConstraint.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ForceField/MMFF/Params.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ForceField/rdForceField.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDistGeometry.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDistGeometry.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDistGeometry.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DistGeom/BoundsMatrix.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DistGeom/ChiralSet.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DistGeom/ChiralViolationContrib.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DistGeom/ChiralViolationContribs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DistGeom/DistGeomUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DistGeom/DistViolationContrib.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DistGeom/DistViolationContribs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DistGeom/FourthDimContrib.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DistGeom/FourthDimContribs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DistGeom/TriangleSmooth.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/DistanceGeometry/DistGeom.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitCatalogs.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitCatalogs.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitCatalogs.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Catalogs/CatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Catalogs/Catalog.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Catalogs/CatalogParams.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitGraphMol.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitGraphMol.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitGraphMol.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Atom.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/atomic_data.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/AtomIterators.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Atropisomers.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Bond.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/BondIterators.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Canon.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Chirality.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Conformer.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/details.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/GraphMol.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolOps.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolPickler.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/PeriodicTable.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/QueryAtom.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/QueryBond.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/QueryOps.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/RDKitBase.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/RDKitQueries.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Resonance.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/RingInfo.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Rings.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ROMol.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/RWMol.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SanitException.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SubstanceGroup.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/StereoGroup.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MonomerInfo.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/new_canon.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolBundle.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSmilesParse.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSmilesParse.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSmilesParse.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/primes.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmartsWrite.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParse.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesWrite.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/CanonicalizeStereoGroups.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDepictor.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDepictor.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDepictor.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Depictor/DepictUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Depictor/EmbeddedFrag.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Depictor/RDDepictor.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdDepictor.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMarvinParser.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMarvinParser.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMarvinParser.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MarvinParse/MarvinParser.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFileParsers.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFileParsers.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFileParsers.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/CDXMLParser.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParsers.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParserUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolFileStereochem.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileWriters.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolSupplier.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolSupplier.v1API.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolWriters.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/SequenceParsers.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/SequenceWriters.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/GeneralFileReader.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedMolSupplier.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedSDMolSupplier.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/PNGParser.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSubstructMatch.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSubstructMatch.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSubstructMatch.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Substruct/SubstructMatch.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Substruct/SubstructUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitGenericGroups.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitGenericGroups.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitGenericGroups.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/GenericGroups/GenericGroups.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitChemReactions.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitChemReactions.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitChemReactions.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Reaction.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionParser.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionPickler.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionFingerprints.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionRunner.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/PreprocessRxn.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/SanitizeRxn.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/Enumerate.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateBase.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/CartesianProduct.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSample.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdChemReactions.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitChemTransforms.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitChemTransforms.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitChemTransforms.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/ChemTransforms.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenter.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitTautomerQuery.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitTautomerQuery.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitTautomerQuery.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/TautomerQuery/TautomerQuery.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdTautomerQuery.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSubgraphs.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSubgraphs.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSubgraphs.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Subgraphs/Subgraphs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Subgraphs/SubgraphUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFilterCatalog.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFilterCatalog.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFilterCatalog.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalog.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterMatcherBase.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterMatchers.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdfiltercatalog.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFragCatalog.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFragCatalog.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFragCatalog.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatGenerator.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatParams.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdfragcatalog.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDescriptors.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDescriptors.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDescriptors.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Crippen.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/BCUT.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Lipinski.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolDescriptors.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolSurf.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/ConnectivityDescriptors.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MQN.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/RegisterDescriptor.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Property.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AUTOCORR2D.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Data3Ddescriptors.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolData3Ddescriptors.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/USRDescriptor.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AtomFeat.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/OxidationNumbers.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/DCLV.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolDescriptors3D.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/EEM.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/PBF.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/PMI.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AUTOCORR3D.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/RDF.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MORSE.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/GETAWAY.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/WHIM.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/CoulombMat.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdMolDescriptors.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFingerprints.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFingerprints.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFingerprints.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/AtomPairs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/Fingerprints.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MorganFingerprints.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MACCS.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MHFP.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/FingerprintGenerator.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/AtomPairGenerator.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MorganGenerator.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/RDKitFPGenerator.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/TopologicalTorsionGenerator.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/FingerprintUtil.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdFingerprintGenerator.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdMHFPFingerprint.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitPartialCharges.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitPartialCharges.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitPartialCharges.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/PartialCharges/GasteigerCharges.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/PartialCharges/GasteigerParams.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdPartialCharges.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolTransforms.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolTransforms.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolTransforms.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolTransforms/MolTransforms.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdMolTransforms.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/FFConvenience.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/Builder.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/UFF.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/Builder.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/MMFF.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdForceFieldHelpers.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/Embedder.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdDistGeom.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolAlign.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolAlign.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolAlign.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitO3AAlign.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitO3AAlign.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitO3AAlign.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/AlignMolecules.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdMolAlign.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdMolChemicalFeatures.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitShapeHelpers.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitShapeHelpers.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitShapeHelpers.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ShapeHelpers/ShapeEncoder.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ShapeHelpers/ShapeUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdShapeHelpers.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolCatalog.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolCatalog.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolCatalog.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalog.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdMolCatalog.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2Dwx.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DHelpers.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolDraw2D.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolDraw2D.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolDraw2D.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DCairo.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/Draw/rdMolDraw2D.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFMCS.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFMCS.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitFMCS.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FMCS/FMCS.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/FMCS/Graph.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdFMCS.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolHash.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolHash.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolHash.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolHash/MolHash.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolHash/nmmolhash.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdMolHash.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMMPA.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMMPA.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMMPA.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MMPA/MMPA.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdMMPA.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRascalMCES.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRascalMCES.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRascalMCES.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalMCES.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalOptions.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalClusterOptions.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalResult.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdRascalMCES.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitCIPLabeler.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitCIPLabeler.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitCIPLabeler.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/CIPLabeler/CIPLabeler.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/CIPLabeler/TooManyNodesException.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdCIPLabeler.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDeprotect.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDeprotect.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitDeprotect.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Deprotect/Deprotect.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdDeprotect.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitReducedGraphs.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitReducedGraphs.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitReducedGraphs.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ReducedGraphs/ReducedGraphs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdReducedGraphs.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitTrajectory.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitTrajectory.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitTrajectory.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Trajectory/Snapshot.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Trajectory/Trajectory.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSubstructLibrary.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/PatternFactory.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdSubstructLibrary.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecomp.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompParams.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdRGroupDecomposition.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolInterchange.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolInterchange.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolInterchange.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolInterchange/MolInterchange.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolInterchange/details.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdMolInterchange.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSLNParse.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSLNParse.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSLNParse.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNAttribs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNParse.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNParseOps.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdSLNParse.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdchem.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdmolops.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdqueries.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdmolfiles.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdtrajectory.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolStandardize.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolStandardize.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolStandardize.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Pipeline.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/MolStandardize.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Metal.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Normalize.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Validate.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Charge.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Tautomer.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Fragment.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/rdMolStandardize.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/Scaffolds/rdScaffoldNetwork.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolEnumerator.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/MolEnumerator.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/LinkNode.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdMolEnumerator.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitAbbreviations.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitAbbreviations.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitAbbreviations.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/Abbreviations/Abbreviations.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdAbbreviations.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/GeneralizedSubstruct/XQMol.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdGeneralizedSubstruct.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolProcessing.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolProcessing.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitMolProcessing.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/GraphMol/MolProcessing/MolProcessing.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/Chem/rdMolProcessing.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/AndQuery.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/EqualityQuery.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/GreaterEqualQuery.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/GreaterQuery.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/LessEqualQuery.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/LessQuery.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/NullQueryAlgebra.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/OrQuery.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/Query.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/QueryObjects.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/RangeQuery.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/SetQuery.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Query/XOrQuery.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/Features/Feature.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricMatrixCalc.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitSimDivPickers.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/SimDivPickers/DistPicker.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/SimDivPickers/LeaderPicker.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/SimDivPickers/HierarchicalClusterPicker.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/SimDivPickers/MaxMinPicker.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/SimDivFilters/rdSimDivPickers.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKithc.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKithc.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKithc.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Cluster/Clustering.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitInfoTheory.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitInfoTheory.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitInfoTheory.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/InfoTheory/rdInfoTheory.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/ML/Data/cQuantize.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1.2024.09.2 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1 -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/libRDKitChemicalFeatures.so -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ChemicalFeatures/ChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/include/rdkit/ChemicalFeatures/FreeChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/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-202409.2/debian/tmp/usr/lib/python3.12/site-packages/rdkit/RDPaths.py -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets.cmake -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets-none.cmake -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/cmake/rdkit/rdkit-config.cmake -- Installing: /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/cmake/rdkit/rdkit-config-version.cmake make[2]: Leaving directory '/build/reproducible-path/rdkit-202409.2/obj-aarch64-linux-gnu' make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.2' debian/rules override_dh_install make[1]: Entering directory '/build/reproducible-path/rdkit-202409.2' mkdir -p /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3 mv /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12/site-packages /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3/dist-packages rm -f -rf /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/lib/python3.12 ln -sf /usr/share/fonts/truetype/freefont/FreeSans.ttf /build/reproducible-path/rdkit-202409.2/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-202409.2/debian/tmp/usr/lib/python3/dist-packages/rdkit/docs/ rm -f -rf /build/reproducible-path/rdkit-202409.2/debian/tmp/usr/share/RDKit/Projects/__pycache__ dh_numpy3 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-202409.2/debian/rdkit-doc/usr/share/doc/rdkit/ # cp /build/reproducible-path/rdkit-202409.2/Docs/Book/_build/latex/RDKit.pdf /build/reproducible-path/rdkit-202409.2/debian/rdkit-doc/usr/share/doc/rdkit/ cp -a /build/reproducible-path/rdkit-202409.2/Docs/Book/_build/html /build/reproducible-path/rdkit-202409.2/debian/rdkit-doc/usr/share/doc/rdkit/ ln -sf /usr/share/javascript/jquery/jquery.js /build/reproducible-path/rdkit-202409.2/debian/rdkit-doc/usr/share/doc/rdkit//html/cppapi/jquery.js ln -sf /usr/share/javascript/jquery/jquery.js /build/reproducible-path/rdkit-202409.2/debian/rdkit-doc/usr/share/doc/rdkit//html/_static/jquery.js ln -sf /usr/share/javascript/underscore/underscore.js /build/reproducible-path/rdkit-202409.2/debian/rdkit-doc/usr/share/doc/rdkit//html/_static/underscore.js make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.2' dh_installdocs -O--buildsystem=cmake debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/reproducible-path/rdkit-202409.2' dh_installchangelogs ReleaseNotes.md make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.2' debian/rules override_dh_python3 make[1]: Entering directory '/build/reproducible-path/rdkit-202409.2' dh_python3 -ppython3-rdkit I: dh_python3 fs:421: renaming rdBase.so to rdBase.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdAbbreviations.so to rdAbbreviations.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdCIPLabeler.so to rdCIPLabeler.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdChemReactions.so to rdChemReactions.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdChemicalFeatures.so to rdChemicalFeatures.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdCoordGen.so to rdCoordGen.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdDepictor.so to rdDepictor.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdDeprotect.so to rdDeprotect.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdDistGeom.so to rdDistGeom.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdFMCS.so to rdFMCS.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdFingerprintGenerator.so to rdFingerprintGenerator.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdForceFieldHelpers.so to rdForceFieldHelpers.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdGeneralizedSubstruct.so to rdGeneralizedSubstruct.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMHFPFingerprint.so to rdMHFPFingerprint.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMMPA.so to rdMMPA.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMolAlign.so to rdMolAlign.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMolCatalog.so to rdMolCatalog.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMolChemicalFeatures.so to rdMolChemicalFeatures.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMolDescriptors.so to rdMolDescriptors.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMolEnumerator.so to rdMolEnumerator.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMolHash.so to rdMolHash.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMolInterchange.so to rdMolInterchange.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMolProcessing.so to rdMolProcessing.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMolTransforms.so to rdMolTransforms.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdPartialCharges.so to rdPartialCharges.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdRGroupDecomposition.so to rdRGroupDecomposition.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdRascalMCES.so to rdRascalMCES.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdReducedGraphs.so to rdReducedGraphs.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdSLNParse.so to rdSLNParse.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdShapeHelpers.so to rdShapeHelpers.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdSubstructLibrary.so to rdSubstructLibrary.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdTautomerQuery.so to rdTautomerQuery.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdchem.so to rdchem.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdfiltercatalog.so to rdfiltercatalog.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdfragcatalog.so to rdfragcatalog.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdinchi.so to rdinchi.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdmolfiles.so to rdmolfiles.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdmolops.so to rdmolops.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdqueries.so to rdqueries.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdtrajectory.so to rdtrajectory.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMolDraw2D.so to rdMolDraw2D.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMolStandardize.so to rdMolStandardize.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdScaffoldNetwork.so to rdScaffoldNetwork.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdMetricMatrixCalc.so to rdMetricMatrixCalc.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming cDataStructs.so to cDataStructs.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming DistGeom.so to DistGeom.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdForceField.so to rdForceField.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdGeometry.so to rdGeometry.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming Clustering.so to Clustering.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming cQuantize.so to cQuantize.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdInfoTheory.so to rdInfoTheory.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdAlignment.so to rdAlignment.cpython-312-aarch64-linux-gnu.so I: dh_python3 fs:421: renaming rdSimDivPickers.so to rdSimDivPickers.cpython-312-aarch64-linux-gnu.so dh_numpy3 -ppython3-rdkit make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.2' dh_installsystemduser -O--buildsystem=cmake dh_lintian -O--buildsystem=cmake dh_perl -O--buildsystem=cmake dh_link -O--buildsystem=cmake dh_strip_nondeterminism -O--buildsystem=cmake dh_compress -O--buildsystem=cmake dh_fixperms -O--buildsystem=cmake debian/rules override_dh_missing make[1]: Entering directory '/build/reproducible-path/rdkit-202409.2' dh_missing --list-missing dh_missing: warning: usr/lib/postgresql/17/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/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/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/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/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_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 installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_28_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_29_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_2_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_2_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_30_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_30_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_32_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png exists in debian/tmp but is not 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debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_37_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_37_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_37_im2.svg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_38_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_39_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_3_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_40_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: 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warning: usr/share/RDKit/Docs/Book/images/RDKitCB_7_im4.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_7_im5.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_7_im6.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_8_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/ary_group.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/atom_annotation_1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/atom_highlights_1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/atom_highlights_2.png exists in debian/tmp but is not installed to 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not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/atrop_example5.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/atrop_representation1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/atrop_representation2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/cdk2_mol1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/cdk2_mol2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/cdk2_molgrid.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/cdk2_molgrid_aligned.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/indole1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_3.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_4.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_5.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_6.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mfp2_bit872.svg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mol_metadata1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_ex1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_ex2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_missing1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_oh1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_oh2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_sp1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_sp2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: 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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/CodingStandards.md 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/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/17/extension/rdkit--3.8--4.0.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/17/extension/rdkit--4.0--4.0.1.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/17/extension/rdkit--4.0.1--4.1.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/17/extension/rdkit--4.1--4.1.1.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/17/extension/rdkit--4.1.1--4.2.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/17/extension/rdkit--4.2--4.3.0.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/17/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/17/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/17/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/17/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/17/extension/rdkit--4.6.1.sql exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/postgresql/17/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 (62), librdkit1t64 (120), postgresql-17-rdkit (0), python3-rdkit (1), rdkit-data (3), rdkit-doc (0) * dh_installdocs: librdkit-dev (0), librdkit1t64 (0), postgresql-17-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-202409.2' 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: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: symbol PyObject_CallFunction used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.2 found in none of the libraries dpkg-shlibdeps: warning: symbol PyExc_IndexError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.2 found in none of the libraries dpkg-shlibdeps: warning: symbol PyLong_FromUnsignedLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.2 found in none of the libraries dpkg-shlibdeps: warning: symbol _Py_Dealloc used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.2 found in none of the libraries dpkg-shlibdeps: warning: symbol PyExc_KeyError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.2 found in none of the libraries dpkg-shlibdeps: warning: symbol PyLong_FromLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.2 found in none of the libraries dpkg-shlibdeps: warning: symbol PyExc_RuntimeError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.2 found in none of the libraries dpkg-shlibdeps: warning: symbol PyErr_SetObject used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.2 found in none of the libraries dpkg-shlibdeps: warning: symbol _Py_NoneStruct used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.2 found in none of the libraries dpkg-shlibdeps: warning: symbol PyErr_SetString used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.2 found in none of the libraries dpkg-shlibdeps: warning: 2 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: debian/postgresql-17-rdkit/usr/lib/postgresql/17/lib/rdkit.so contains an unresolvable reference to symbol byteain: it's probably a plugin dpkg-shlibdeps: warning: 24 other similar warnings have been skipped (use -v to see them all) dh_installdeb -O--buildsystem=cmake dh_gencontrol -O--buildsystem=cmake dpkg-gencontrol: warning: Depends field of package rdkit-data: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package rdkit-doc: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package librdkit-dev: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: package postgresql-17-rdkit: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package rdkit-data: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package librdkit1t64: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package librdkit-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined dpkg-gencontrol: warning: package rdkit-doc: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package postgresql-17-rdkit: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package librdkit1t64: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined dh_md5sums -O--buildsystem=cmake dh_builddeb -O--buildsystem=cmake dpkg-deb: building package 'rdkit-doc' in '../rdkit-doc_202409.2-2_all.deb'. dpkg-deb: building package 'librdkit1t64-dbgsym' in '../librdkit1t64-dbgsym_202409.2-2_arm64.deb'. dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202409.2-2_all.deb'. dpkg-deb: building package 'librdkit-dev' in '../librdkit-dev_202409.2-2_arm64.deb'. dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202409.2-2_arm64.deb'. dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202409.2-2_arm64.deb'. dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202409.2-2_arm64.deb'. dpkg-deb: building package 'postgresql-17-rdkit-dbgsym' in '../postgresql-17-rdkit-dbgsym_202409.2-2_arm64.deb'. dpkg-deb: building package 'postgresql-17-rdkit' in '../postgresql-17-rdkit_202409.2-2_arm64.deb'. dpkg-genbuildinfo --build=binary -O../rdkit_202409.2-2_arm64.buildinfo dpkg-genchanges --build=binary -O../rdkit_202409.2-2_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/2847219 and its subdirectories I: Current time: Tue Jan 20 02:32:38 -12 2026 I: pbuilder-time-stamp: 1768919558 Wed Dec 18 08:10:52 UTC 2024 I: 1st build successful. Starting 2nd build on remote node codethink02-arm64.debian.net. Wed Dec 18 08:10:52 UTC 2024 I: Preparing to do remote build '2' on codethink02-arm64.debian.net. Wed Dec 18 09:42:48 UTC 2024 I: Deleting $TMPDIR on codethink02-arm64.debian.net. Wed Dec 18 09:42:49 UTC 2024 I: rdkit_202409.2-2_arm64.changes: Format: 1.8 Date: Wed, 27 Nov 2024 20:11:03 +0100 Source: rdkit Binary: librdkit-dev librdkit1t64 librdkit1t64-dbgsym postgresql-17-rdkit postgresql-17-rdkit-dbgsym python3-rdkit python3-rdkit-dbgsym rdkit-data rdkit-doc Architecture: arm64 all Version: 202409.2-2 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-17-rdkit - Cheminformatics and machine-learning software (PostgreSQL Cartrid python3-rdkit - Collection of cheminformatics and machine-learning software rdkit-data - Collection of cheminformatics and machine-learning software (data rdkit-doc - Collection of cheminformatics and machine-learning software (docu Closes: 1088354 Changes: rdkit (202409.2-2) unstable; urgency=medium . * debian/rules (DH_AUTO_CONFIGURE_OPTS): Added -DRDK_BUILD_PUBCHEMSHAPE_SUPPORT=OFF (Closes: #1088354). Checksums-Sha1: 366e90d2b8d13d81f7c611052d7af52c6ac011da 456976 librdkit-dev_202409.2-2_arm64.deb d5f89ec66448b94ba3afbd4b0e2ed1276d4b3486 111455692 librdkit1t64-dbgsym_202409.2-2_arm64.deb 906f1c72d3bd1a82fa55f3982467c67bd116314d 4674096 librdkit1t64_202409.2-2_arm64.deb 68053467c6ce951201e8dc7c62475446ac514436 1160324 postgresql-17-rdkit-dbgsym_202409.2-2_arm64.deb c0772552611d26201f2aebe675a9834b2d3ffbf3 236736 postgresql-17-rdkit_202409.2-2_arm64.deb b9b9c581e2c05d3e965e8173d55aa15efbd955e0 59237760 python3-rdkit-dbgsym_202409.2-2_arm64.deb 5bfe4a3e121ca66112d03c386d4dbc1d4c72c9fb 4176240 python3-rdkit_202409.2-2_arm64.deb e9151d078e5f21b7497a72560e4a55d782b7da8e 13158308 rdkit-data_202409.2-2_all.deb 1ad18d5ba6e4ec78310f08e7160f2acbd7aedab7 6528604 rdkit-doc_202409.2-2_all.deb 14322b6f7121630c663cfdbe570000e099cfe352 18551 rdkit_202409.2-2_arm64.buildinfo Checksums-Sha256: 2a5718a755650c4753ed86da016030dc1f8ca11899563fa550733fab2c5e4c76 456976 librdkit-dev_202409.2-2_arm64.deb 47722cee8a3a04b7c86d85e4873072590cf802fb24c6d9b60a1200c801ac7e66 111455692 librdkit1t64-dbgsym_202409.2-2_arm64.deb f5af730290d3b4ea628ca6db469a8642d8a286dc213876a7afb1784a320d0d9a 4674096 librdkit1t64_202409.2-2_arm64.deb 08cd87527dff16a7079f5286aba62839e1a8635a2fb61aa218f54385e7f74a8b 1160324 postgresql-17-rdkit-dbgsym_202409.2-2_arm64.deb 5dbaf8d166fc3eec488ed579fef3c07c4ba414bc5e9363ddb0b3e9d9eda47484 236736 postgresql-17-rdkit_202409.2-2_arm64.deb 5828659a7c61096a38f6c01e64add3daf9f6fd573f7ef3f5c2638277f18efca0 59237760 python3-rdkit-dbgsym_202409.2-2_arm64.deb 917fc3fed13db230ea94289c557bd35dc956ffb8cfa4ea06cc5f7ee228997d0b 4176240 python3-rdkit_202409.2-2_arm64.deb 692403a6b63a9f44d4de24372d4c3aedf55dee34e2485c57f152fa72875e9695 13158308 rdkit-data_202409.2-2_all.deb fb6b10e4b3b806d943e610fdcc8df36bf98f58b3d2f81edc811f2f731df45238 6528604 rdkit-doc_202409.2-2_all.deb 95ada02295264fe00517f234da4e964f55dece685794987821f116a4bb606194 18551 rdkit_202409.2-2_arm64.buildinfo Files: c5e735154e40e1281d1489afac999454 456976 libdevel optional librdkit-dev_202409.2-2_arm64.deb 84128b5f7b5c454eb4f16b9c832870f0 111455692 debug optional librdkit1t64-dbgsym_202409.2-2_arm64.deb 8e0d45ad93a9d1502dc484eec265423a 4674096 libs optional librdkit1t64_202409.2-2_arm64.deb 0c9bf66b662738128c3ae5a68be4118e 1160324 debug optional postgresql-17-rdkit-dbgsym_202409.2-2_arm64.deb 95ee6df6f92e71318f10d0295f625d9c 236736 database optional postgresql-17-rdkit_202409.2-2_arm64.deb b479a28dec521c6440cf1ed380bf3a2f 59237760 debug optional python3-rdkit-dbgsym_202409.2-2_arm64.deb 80477374cc6e0c9cf0678b960e8fd2ab 4176240 python optional python3-rdkit_202409.2-2_arm64.deb 0579aadb7d8c53e217cb5f29a5de9615 13158308 science optional rdkit-data_202409.2-2_all.deb 81650517f1779b5e89e49e35fb3a6e10 6528604 doc optional rdkit-doc_202409.2-2_all.deb 0dcc7d2e8187e7be4ff6a071042ed01a 18551 science optional rdkit_202409.2-2_arm64.buildinfo Wed Dec 18 09:42:50 UTC 2024 I: diffoscope 284 will be used to compare the two builds: Running as unit: rb-diffoscope-arm64_21-45274.service # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.4CF0AfE2/rdkit_202409.2-2.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.4CF0AfE2/rdkit_202409.2-2.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.4CF0AfE2/rdkit_202409.2-2.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.4CF0AfE2/b1/rdkit_202409.2-2_arm64.changes /srv/reproducible-results/rbuild-debian/r-b-build.4CF0AfE2/b2/rdkit_202409.2-2_arm64.changes ## command (total time: 0.000s) 0.000s 1 call cmp (internal) ## has_same_content_as (total time: 0.000s) 0.000s 1 call abc.DotChangesFile ## main (total time: 2.066s) 2.066s 2 calls outputs 0.000s 1 call cleanup ## recognizes (total time: 1.749s) 1.749s 12 calls diffoscope.comparators.binary.FilesystemFile ## specialize (total time: 0.000s) 0.000s 1 call specialize Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 2.396s CPU time consumed: 2.396s Wed Dec 18 09:42:53 UTC 2024 I: diffoscope 284 found no differences in the changes files, and a .buildinfo file also exists. Wed Dec 18 09:42:53 UTC 2024 I: rdkit from unstable built successfully and reproducibly on arm64. Wed Dec 18 09:42:54 UTC 2024 I: Submitting .buildinfo files to external archives: Wed Dec 18 09:42:54 UTC 2024 I: Submitting 20K b1/rdkit_202409.2-2_arm64.buildinfo.asc Wed Dec 18 09:42:55 UTC 2024 I: Submitting 20K b2/rdkit_202409.2-2_arm64.buildinfo.asc Wed Dec 18 09:42:56 UTC 2024 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Wed Dec 18 09:42:56 UTC 2024 I: Done submitting .buildinfo files. Wed Dec 18 09:42:56 UTC 2024 I: Removing signed rdkit_202409.2-2_arm64.buildinfo.asc files: removed './b1/rdkit_202409.2-2_arm64.buildinfo.asc' removed './b2/rdkit_202409.2-2_arm64.buildinfo.asc'