Fri Mar 21 06:04:11 UTC 2025 I: starting to build rdkit/trixie/arm64 on jenkins on '2025-03-21 06:03'
Fri Mar 21 06:04:11 UTC 2025 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/arm64_3/83263/console.log
Fri Mar 21 06:04:11 UTC 2025 I: Downloading source for trixie/rdkit=202409.6-2
--2025-03-21 06:04:11-- http://deb.debian.org/debian/pool/main/r/rdkit/rdkit_202409.6-2.dsc
Connecting to 46.16.76.132:3128... connected.
Proxy request sent, awaiting response... 200 OK
Length: 3055 (3.0K) [text/prs.lines.tag]
Saving to: ‘rdkit_202409.6-2.dsc’
0K .. 100% 475M=0s
2025-03-21 06:04:11 (475 MB/s) - ‘rdkit_202409.6-2.dsc’ saved [3055/3055]
Fri Mar 21 06:04:11 UTC 2025 I: rdkit_202409.6-2.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: 202409.6-2
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>, Andrius Merkys <merkys@debian.org>
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: architecture-is-64-bit, architecture-is-little-endian, 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:
eee3b91126d4fd4e5817a62932bb238c9c1290fd 63496200 rdkit_202409.6.orig.tar.xz
325f018754aafc36f83c4a5a7bdb7710cd4c43dc 39956 rdkit_202409.6-2.debian.tar.xz
Checksums-Sha256:
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483a119aee602230620285df2e2bb66a0456d90124aee92a3fa9cfd328759701 39956 rdkit_202409.6-2.debian.tar.xz
Files:
8efdc5b72d511d13fb5b15eb3bab2832 63496200 rdkit_202409.6.orig.tar.xz
937c690d6e82fb91efbf79b43ec740cf 39956 rdkit_202409.6-2.debian.tar.xz
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Fri Mar 21 06:04:11 UTC 2025 I: Checking whether the package is not for us
Fri Mar 21 06:04:11 UTC 2025 I: Starting 1st build on remote node codethink03-arm64.debian.net.
Fri Mar 21 06:04:11 UTC 2025 I: Preparing to do remote build '1' on codethink03-arm64.debian.net.
Fri Mar 21 06:34:10 UTC 2025 I: Deleting $TMPDIR on codethink03-arm64.debian.net.
I: pbuilder: network access will be disabled during build
I: Current time: Thu Apr 23 00:27:12 -12 2026
I: pbuilder-time-stamp: 1776947232
I: Building the build Environment
I: extracting base tarball [/var/cache/pbuilder/trixie-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_202409.6-2.dsc]
I: copying [./rdkit_202409.6.orig.tar.xz]
I: copying [./rdkit_202409.6-2.debian.tar.xz]
I: Extracting source
dpkg-source: warning: cannot verify inline signature for ./rdkit_202409.6-2.dsc: unsupported subcommand
dpkg-source: info: extracting rdkit in rdkit-202409.6
dpkg-source: info: unpacking rdkit_202409.6.orig.tar.xz
dpkg-source: info: unpacking rdkit_202409.6-2.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
dpkg-source: info: applying disable_python_test.patch
dpkg-source: info: applying disable_riscv64_timeout_tests.patch
I: Not using root during the build.
I: Installing the build-deps
I: user script /srv/workspace/pbuilder/3079180/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='trixie'
HOME='/root'
HOST_ARCH='arm64'
IFS='
'
INVOCATION_ID='a03b8b5bcd804ee49373baf3d0e63194'
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='3079180'
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.5NJGtXVK/pbuilderrc_IKWN --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.5NJGtXVK/b1 --logfile b1/build.log rdkit_202409.6-2.dsc'
SUDO_GID='109'
SUDO_UID='104'
SUDO_USER='jenkins'
TERM='unknown'
TZ='/usr/share/zoneinfo/Etc/GMT+12'
USER='root'
_='/usr/bin/systemd-run'
http_proxy='http://192.168.101.4:3128'
I: uname -a
Linux codethink03-arm64 6.1.0-32-cloud-arm64 #1 SMP Debian 6.1.129-1 (2025-03-06) aarch64 GNU/Linux
I: ls -l /bin
lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin
I: user script /srv/workspace/pbuilder/3079180/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 <pbuilder-maint@lists.alioth.debian.org>
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: architecture-is-64-bit, architecture-is-little-endian, 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 ... 19899 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 architecture-is-64-bit; however:
Package architecture-is-64-bit is not installed.
pbuilder-satisfydepends-dummy depends on architecture-is-little-endian; however:
Package architecture-is-little-endian is not installed.
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:
architecture-properties{a} 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} libffi8{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} libgnutls30t64{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} libicu76{a} libidn2-0{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} libldap2{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} libnghttp3-9{a} libnuma1{a} libobjc-14-dev{a} libobjc4{a} libopenjp2-7{a} libp11-kit0{a} libpango-1.0-0{a} libpangocairo-1.0-0{a} libpangoft2-1.0-0{a} libpaper-utils{a} libpaper2{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} libpython3.13{a} libpython3.13-dev{a} libpython3.13-minimal{a} libpython3.13-stdlib{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} libtasn1-6{a} libteckit0{a} libtexlua53-5{a} libtext-charwidth-perl{a} libtext-wrapi18n-perl{a} libthai-data{a} libthai0{a} libtiff6{a} libtool{a} libuchardet0{a} libunistring5{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-common-dev{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-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-iniconfig{a} python3-jinja2{a} python3-markdown-it{a} python3-markupsafe{a} python3-mdit-py-plugins{a} python3-mdurl{a} python3-minimal{a} python3-myst-parser{a} python3-numpy{a} python3-numpy-dev{a} python3-packaging{a} python3-pandas{a} python3-pandas-lib{a} python3-pil{a} python3-pluggy{a} python3-pygments{a} python3-pytest{a} python3-pytz{a} python3-recommonmark{a} python3-requests{a} python3-roman{a} python3-snowballstemmer{a} python3-sphinx{a} python3-sqlalchemy{a} python3-typing-extensions{a} python3-tz{a} python3-urllib3{a} python3-yaml{a} python3.13{a} python3.13-dev{a} python3.13-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 papers 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, 370 newly installed, 0 to remove and 0 not upgraded.
Need to get 407 MB of archives. After unpacking 2159 MB will be used.
Writing extended state information...
Get: 1 http://deb.debian.org/debian trixie/main arm64 m4 arm64 1.4.19-7 [285 kB]
Get: 2 http://deb.debian.org/debian trixie/main arm64 flex arm64 2.6.4-8.2+b4 [412 kB]
Get: 3 http://deb.debian.org/debian trixie/main arm64 libfftw3-double3 arm64 3.3.10-2+b1 [337 kB]
Get: 4 http://deb.debian.org/debian trixie/main arm64 libexpat1 arm64 2.6.4-1 [90.7 kB]
Get: 5 http://deb.debian.org/debian trixie/main arm64 libbrotli1 arm64 1.1.0-2+b7 [308 kB]
Get: 6 http://deb.debian.org/debian trixie/main arm64 libpng16-16t64 arm64 1.6.47-1.1 [274 kB]
Get: 7 http://deb.debian.org/debian trixie/main arm64 libfreetype6 arm64 2.13.3+dfsg-1 [422 kB]
Get: 8 http://deb.debian.org/debian trixie/main arm64 fonts-dejavu-mono all 2.37-8 [489 kB]
Get: 9 http://deb.debian.org/debian trixie/main arm64 fonts-dejavu-core all 2.37-8 [840 kB]
Get: 10 http://deb.debian.org/debian trixie/main arm64 fontconfig-config arm64 2.15.0-2.1 [318 kB]
Get: 11 http://deb.debian.org/debian trixie/main arm64 libfontconfig1 arm64 2.15.0-2.1 [387 kB]
Get: 12 http://deb.debian.org/debian trixie/main arm64 libsharpyuv0 arm64 1.5.0-0.1 [114 kB]
Get: 13 http://deb.debian.org/debian trixie/main arm64 libdav1d7 arm64 1.5.1-1 [252 kB]
Get: 14 http://deb.debian.org/debian trixie/main arm64 libheif-plugin-dav1d arm64 1.19.7-1 [11.5 kB]
Get: 15 http://deb.debian.org/debian trixie/main arm64 libde265-0 arm64 1.0.15-1+b3 [153 kB]
Get: 16 http://deb.debian.org/debian trixie/main arm64 libheif-plugin-libde265 arm64 1.19.7-1 [15.1 kB]
Get: 17 http://deb.debian.org/debian trixie/main arm64 libheif1 arm64 1.19.7-1 [442 kB]
Get: 18 http://deb.debian.org/debian trixie/main arm64 libjbig0 arm64 2.1-6.1+b2 [30.4 kB]
Get: 19 http://deb.debian.org/debian trixie/main arm64 libjpeg62-turbo arm64 1:2.1.5-3.1 [173 kB]
Get: 20 http://deb.debian.org/debian trixie/main arm64 liblcms2-2 arm64 2.16-2 [151 kB]
Get: 21 http://deb.debian.org/debian trixie/main arm64 libffi8 arm64 3.4.7-1 [21.2 kB]
Get: 22 http://deb.debian.org/debian trixie/main arm64 libglib2.0-0t64 arm64 2.84.0-2 [1424 kB]
Get: 23 http://deb.debian.org/debian trixie/main arm64 liblqr-1-0 arm64 0.4.2-2.1+b2 [27.0 kB]
Get: 24 http://deb.debian.org/debian trixie/main arm64 libltdl7 arm64 2.5.4-4 [415 kB]
Get: 25 http://deb.debian.org/debian trixie/main arm64 libopenjp2-7 arm64 2.5.3-2 [190 kB]
Get: 26 http://deb.debian.org/debian trixie/main arm64 libraw23t64 arm64 0.21.3-1+b1 [370 kB]
Get: 27 http://deb.debian.org/debian trixie/main arm64 libdeflate0 arm64 1.23-1+b1 [42.5 kB]
Get: 28 http://deb.debian.org/debian trixie/main arm64 liblerc4 arm64 4.0.0+ds-5 [146 kB]
Get: 29 http://deb.debian.org/debian trixie/main arm64 libwebp7 arm64 1.5.0-0.1 [271 kB]
Get: 30 http://deb.debian.org/debian trixie/main arm64 libtiff6 arm64 4.5.1+git230720-5 [309 kB]
Get: 31 http://deb.debian.org/debian trixie/main arm64 libwebpdemux2 arm64 1.5.0-0.1 [113 kB]
Get: 32 http://deb.debian.org/debian trixie/main arm64 libwebpmux3 arm64 1.5.0-0.1 [125 kB]
Get: 33 http://deb.debian.org/debian trixie/main arm64 libxau6 arm64 1:1.0.11-1 [20.6 kB]
Get: 34 http://deb.debian.org/debian trixie/main arm64 libxdmcp6 arm64 1:1.1.5-1 [27.8 kB]
Get: 35 http://deb.debian.org/debian trixie/main arm64 libxcb1 arm64 1.17.0-2+b1 [143 kB]
Get: 36 http://deb.debian.org/debian trixie/main arm64 libx11-data all 2:1.8.10-2 [337 kB]
Get: 37 http://deb.debian.org/debian trixie/main arm64 libx11-6 arm64 2:1.8.10-2 [789 kB]
Get: 38 http://deb.debian.org/debian trixie/main arm64 libxext6 arm64 2:1.3.4-1+b3 [49.2 kB]
Get: 39 http://deb.debian.org/debian trixie/main arm64 libicu72 arm64 72.1-6 [9239 kB]
Get: 40 http://deb.debian.org/debian trixie/main arm64 libxml2 arm64 2.12.7+dfsg+really2.9.14-0.2+b2 [630 kB]
Get: 41 http://deb.debian.org/debian trixie/main arm64 imagemagick-7-common all 8:7.1.1.43+dfsg1-1 [67.4 kB]
Get: 42 http://deb.debian.org/debian trixie/main arm64 libmagickcore-7.q16-10 arm64 8:7.1.1.43+dfsg1-1 [1647 kB]
Get: 43 http://deb.debian.org/debian trixie/main arm64 libmagickwand-7.q16-10 arm64 8:7.1.1.43+dfsg1-1 [268 kB]
Get: 44 http://deb.debian.org/debian trixie/main arm64 libjson-perl all 4.10000-1 [87.5 kB]
Get: 45 http://deb.debian.org/debian trixie/main arm64 netbase all 6.5 [12.4 kB]
Get: 46 http://deb.debian.org/debian trixie/main arm64 postgresql-client-common all 275 [46.7 kB]
Get: 47 http://deb.debian.org/debian trixie/main arm64 libio-pty-perl arm64 1:1.20-1+b2 [34.0 kB]
Get: 48 http://deb.debian.org/debian trixie/main arm64 libipc-run-perl all 20231003.0-2 [101 kB]
Get: 49 http://deb.debian.org/debian trixie/main arm64 postgresql-common-dev all 275 [72.0 kB]
Get: 50 http://deb.debian.org/debian trixie/main arm64 openssl arm64 3.4.1-1 [1390 kB]
Get: 51 http://deb.debian.org/debian trixie/main arm64 ssl-cert all 1.1.3 [16.8 kB]
Get: 52 http://deb.debian.org/debian trixie/main arm64 libtext-charwidth-perl arm64 0.04-11+b4 [9652 B]
Get: 53 http://deb.debian.org/debian trixie/main arm64 libtext-wrapi18n-perl all 0.06-10 [8808 B]
Get: 54 http://deb.debian.org/debian trixie/main arm64 libproc2-0 arm64 2:4.0.4-7 [62.4 kB]
Get: 55 http://deb.debian.org/debian trixie/main arm64 procps arm64 2:4.0.4-7 [868 kB]
Get: 56 http://deb.debian.org/debian trixie/main arm64 sensible-utils all 0.0.24 [24.8 kB]
Get: 57 http://deb.debian.org/debian trixie/main arm64 ucf all 3.0050 [42.7 kB]
Get: 58 http://deb.debian.org/debian trixie/main arm64 postgresql-common all 275 [112 kB]
Get: 59 http://deb.debian.org/debian trixie/main arm64 libpython3.13-minimal arm64 3.13.2-2 [853 kB]
Get: 60 http://deb.debian.org/debian trixie/main arm64 python3.13-minimal arm64 3.13.2-2 [1995 kB]
Get: 61 http://deb.debian.org/debian trixie/main arm64 python3-minimal arm64 3.13.2-2 [27.1 kB]
Get: 62 http://deb.debian.org/debian trixie/main arm64 media-types all 13.0.0 [29.3 kB]
Get: 63 http://deb.debian.org/debian trixie/main arm64 tzdata all 2025a-2 [259 kB]
Get: 64 http://deb.debian.org/debian trixie/main arm64 readline-common all 8.2-6 [69.4 kB]
Get: 65 http://deb.debian.org/debian trixie/main arm64 libreadline8t64 arm64 8.2-6 [159 kB]
Get: 66 http://deb.debian.org/debian trixie/main arm64 libpython3.13-stdlib arm64 3.13.2-2 [1888 kB]
Get: 67 http://deb.debian.org/debian trixie/main arm64 python3.13 arm64 3.13.2-2 [746 kB]
Get: 68 http://deb.debian.org/debian trixie/main arm64 libpython3-stdlib arm64 3.13.2-2 [10.1 kB]
Get: 69 http://deb.debian.org/debian trixie/main arm64 python3 arm64 3.13.2-2 [28.1 kB]
Get: 70 http://deb.debian.org/debian trixie/main arm64 python3-numpy-dev arm64 1:2.2.3+ds-5 [136 kB]
Get: 71 http://deb.debian.org/debian trixie/main arm64 libblas3 arm64 3.12.1-2 [104 kB]
Get: 72 http://deb.debian.org/debian trixie/main arm64 libgfortran5 arm64 14.2.0-17 [361 kB]
Get: 73 http://deb.debian.org/debian trixie/main arm64 liblapack3 arm64 3.12.1-2 [1819 kB]
Get: 74 http://deb.debian.org/debian trixie/main arm64 python3-numpy arm64 1:2.2.3+ds-5 [3596 kB]
Get: 75 http://deb.debian.org/debian trixie/main arm64 sgml-base all 1.31 [15.4 kB]
Get: 76 http://deb.debian.org/debian trixie/main arm64 ca-certificates all 20241223 [164 kB]
Get: 77 http://deb.debian.org/debian trixie/main arm64 libmagic-mgc arm64 1:5.45-3+b1 [314 kB]
Get: 78 http://deb.debian.org/debian trixie/main arm64 libmagic1t64 arm64 1:5.45-3+b1 [102 kB]
Get: 79 http://deb.debian.org/debian trixie/main arm64 file arm64 1:5.45-3+b1 [43.4 kB]
Get: 80 http://deb.debian.org/debian trixie/main arm64 gettext-base arm64 0.23.1-1 [241 kB]
Get: 81 http://deb.debian.org/debian trixie/main arm64 libuchardet0 arm64 0.0.8-1+b2 [69.2 kB]
Get: 82 http://deb.debian.org/debian trixie/main arm64 groff-base arm64 1.23.0-7 [1129 kB]
Get: 83 http://deb.debian.org/debian trixie/main arm64 bsdextrautils arm64 2.40.4-5 [92.0 kB]
Get: 84 http://deb.debian.org/debian trixie/main arm64 libpipeline1 arm64 1.5.8-1 [40.2 kB]
Get: 85 http://deb.debian.org/debian trixie/main arm64 man-db arm64 2.13.0-1 [1404 kB]
Get: 86 http://deb.debian.org/debian trixie/main arm64 architecture-properties arm64 0.2.6 [2336 B]
Get: 87 http://deb.debian.org/debian trixie/main arm64 autoconf all 2.72-3 [493 kB]
Get: 88 http://deb.debian.org/debian trixie/main arm64 autotools-dev all 20220109.1 [51.6 kB]
Get: 89 http://deb.debian.org/debian trixie/main arm64 automake all 1:1.17-3 [862 kB]
Get: 90 http://deb.debian.org/debian trixie/main arm64 autopoint all 0.23.1-1 [770 kB]
Get: 91 http://deb.debian.org/debian trixie/main arm64 bison arm64 2:3.8.2+dfsg-1+b2 [1149 kB]
Get: 92 http://deb.debian.org/debian trixie/main arm64 libcatch2-dev arm64 3.7.1-0.5 [588 kB]
Get: 93 http://deb.debian.org/debian trixie/main arm64 catch2 all 3.7.1-0.5 [5144 B]
Get: 94 http://deb.debian.org/debian trixie/main arm64 libedit2 arm64 3.1-20250104-1 [89.3 kB]
Get: 95 http://deb.debian.org/debian trixie/main arm64 libz3-4 arm64 4.13.3-1 [7507 kB]
Get: 96 http://deb.debian.org/debian trixie/main arm64 libllvm19 arm64 1:19.1.7-1+b1 [23.3 MB]
Get: 97 http://deb.debian.org/debian trixie/main arm64 libclang-cpp19 arm64 1:19.1.7-1+b1 [12.0 MB]
Get: 98 http://deb.debian.org/debian trixie/main arm64 libgc1 arm64 1:8.2.8-1 [241 kB]
Get: 99 http://deb.debian.org/debian trixie/main arm64 libobjc4 arm64 14.2.0-17 [39.3 kB]
Get: 100 http://deb.debian.org/debian trixie/main arm64 libobjc-14-dev arm64 14.2.0-17 [166 kB]
Get: 101 http://deb.debian.org/debian trixie/main arm64 libclang-common-19-dev arm64 1:19.1.7-1+b1 [740 kB]
Get: 102 http://deb.debian.org/debian trixie/main arm64 llvm-19-linker-tools arm64 1:19.1.7-1+b1 [1100 kB]
Get: 103 http://deb.debian.org/debian trixie/main arm64 libclang1-19 arm64 1:19.1.7-1+b1 [6851 kB]
Get: 104 http://deb.debian.org/debian trixie/main arm64 clang-19 arm64 1:19.1.7-1+b1 [112 kB]
Get: 105 http://deb.debian.org/debian trixie/main arm64 cmake-data all 3.31.6-1 [2268 kB]
Get: 106 http://deb.debian.org/debian trixie/main arm64 libarchive13t64 arm64 3.7.4-1.1 [323 kB]
Get: 107 http://deb.debian.org/debian trixie/main arm64 libkrb5support0 arm64 1.21.3-5 [32.4 kB]
Get: 108 http://deb.debian.org/debian trixie/main arm64 libcom-err2 arm64 1.47.2-1 [23.9 kB]
Get: 109 http://deb.debian.org/debian trixie/main arm64 libk5crypto3 arm64 1.21.3-5 [81.2 kB]
Get: 110 http://deb.debian.org/debian trixie/main arm64 libkeyutils1 arm64 1.6.3-4 [9352 B]
Get: 111 http://deb.debian.org/debian trixie/main arm64 libkrb5-3 arm64 1.21.3-5 [308 kB]
Get: 112 http://deb.debian.org/debian trixie/main arm64 libgssapi-krb5-2 arm64 1.21.3-5 [127 kB]
Get: 113 http://deb.debian.org/debian trixie/main arm64 libunistring5 arm64 1.3-1 [449 kB]
Get: 114 http://deb.debian.org/debian trixie/main arm64 libidn2-0 arm64 2.3.8-2 [107 kB]
Get: 115 http://deb.debian.org/debian trixie/main arm64 libsasl2-modules-db arm64 2.1.28+dfsg1-9 [20.1 kB]
Get: 116 http://deb.debian.org/debian trixie/main arm64 libsasl2-2 arm64 2.1.28+dfsg1-9 [55.6 kB]
Get: 117 http://deb.debian.org/debian trixie/main arm64 libldap2 arm64 2.6.9+dfsg-2 [179 kB]
Get: 118 http://deb.debian.org/debian trixie/main arm64 libnghttp2-14 arm64 1.64.0-1 [71.3 kB]
Get: 119 http://deb.debian.org/debian trixie/main arm64 libnghttp3-9 arm64 1.8.0-1 [63.2 kB]
Get: 120 http://deb.debian.org/debian trixie/main arm64 libpsl5t64 arm64 0.21.2-1.1+b1 [57.1 kB]
Get: 121 http://deb.debian.org/debian trixie/main arm64 libp11-kit0 arm64 0.25.5-3 [409 kB]
Get: 122 http://deb.debian.org/debian trixie/main arm64 libtasn1-6 arm64 4.20.0-2 [47.3 kB]
Get: 123 http://deb.debian.org/debian trixie/main arm64 libgnutls30t64 arm64 3.8.9-2 [1374 kB]
Get: 124 http://deb.debian.org/debian trixie/main arm64 librtmp1 arm64 2.4+20151223.gitfa8646d.1-2+b5 [56.8 kB]
Get: 125 http://deb.debian.org/debian trixie/main arm64 libssh2-1t64 arm64 1.11.1-1 [235 kB]
Get: 126 http://deb.debian.org/debian trixie/main arm64 libcurl4t64 arm64 8.12.1-3 [339 kB]
Get: 127 http://deb.debian.org/debian trixie/main arm64 libjsoncpp26 arm64 1.9.6-3 [72.9 kB]
Get: 128 http://deb.debian.org/debian trixie/main arm64 librhash1 arm64 1.4.5-1 [129 kB]
Get: 129 http://deb.debian.org/debian trixie/main arm64 libuv1t64 arm64 1.50.0-2 [148 kB]
Get: 130 http://deb.debian.org/debian trixie/main arm64 cmake arm64 3.31.6-1 [9912 kB]
Get: 131 http://deb.debian.org/debian trixie/main arm64 libdebhelper-perl all 13.24.1 [90.9 kB]
Get: 132 http://deb.debian.org/debian trixie/main arm64 libtool all 2.5.4-4 [539 kB]
Get: 133 http://deb.debian.org/debian trixie/main arm64 dh-autoreconf all 20 [17.1 kB]
Get: 134 http://deb.debian.org/debian trixie/main arm64 libarchive-zip-perl all 1.68-1 [104 kB]
Get: 135 http://deb.debian.org/debian trixie/main arm64 libfile-stripnondeterminism-perl all 1.14.1-2 [19.7 kB]
Get: 136 http://deb.debian.org/debian trixie/main arm64 dh-strip-nondeterminism all 1.14.1-2 [8620 B]
Get: 137 http://deb.debian.org/debian trixie/main arm64 libelf1t64 arm64 0.192-4 [189 kB]
Get: 138 http://deb.debian.org/debian trixie/main arm64 dwz arm64 0.15-1+b1 [102 kB]
Get: 139 http://deb.debian.org/debian trixie/main arm64 gettext arm64 0.23.1-1 [1610 kB]
Get: 140 http://deb.debian.org/debian trixie/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB]
Get: 141 http://deb.debian.org/debian trixie/main arm64 po-debconf all 1.0.21+nmu1 [248 kB]
Get: 142 http://deb.debian.org/debian trixie/main arm64 debhelper all 13.24.1 [920 kB]
Get: 143 http://deb.debian.org/debian trixie/main arm64 dh-python all 6.20250308 [115 kB]
Get: 144 http://deb.debian.org/debian trixie/main arm64 xml-core all 0.19 [20.1 kB]
Get: 145 http://deb.debian.org/debian trixie/main arm64 docutils-common all 0.21.2+dfsg-2 [128 kB]
Get: 146 http://deb.debian.org/debian trixie/main arm64 libfmt10 arm64 10.1.1+ds1-4 [121 kB]
Get: 147 http://deb.debian.org/debian trixie/main arm64 doxygen arm64 1.9.8+ds-2.1 [4519 kB]
Get: 148 http://deb.debian.org/debian trixie/main arm64 fontconfig arm64 2.15.0-2.1 [463 kB]
Get: 149 http://deb.debian.org/debian trixie/main arm64 fonts-lmodern all 2.005-1 [4540 kB]
Get: 150 http://deb.debian.org/debian trixie/main arm64 native-architecture all 0.2.6 [2264 B]
Get: 151 http://deb.debian.org/debian trixie/main arm64 libgirepository-2.0-0 arm64 2.84.0-2 [132 kB]
Get: 152 http://deb.debian.org/debian trixie/main arm64 girepository-tools arm64 2.84.0-2 [137 kB]
Get: 153 http://deb.debian.org/debian trixie/main arm64 hicolor-icon-theme all 0.18-2 [11.8 kB]
Get: 154 http://deb.debian.org/debian trixie/main arm64 libicu76 arm64 76.1-3 [9526 kB]
Get: 155 http://deb.debian.org/debian trixie/main arm64 icu-devtools arm64 76.1-3 [200 kB]
Get: 156 http://deb.debian.org/debian trixie/main arm64 imagemagick-7.q16 arm64 8:7.1.1.43+dfsg1-1 [726 kB]
Get: 157 http://deb.debian.org/debian trixie/main arm64 imagemagick arm64 8:7.1.1.43+dfsg1-1 [20.0 kB]
Get: 158 http://deb.debian.org/debian trixie/main arm64 tex-common all 6.19 [29.4 kB]
Get: 159 http://deb.debian.org/debian trixie/main arm64 libpaper2 arm64 2.2.5-0.3+b1 [16.6 kB]
Get: 160 http://deb.debian.org/debian trixie/main arm64 libpaper-utils arm64 2.2.5-0.3+b1 [16.3 kB]
Get: 161 http://deb.debian.org/debian trixie/main arm64 libkpathsea6 arm64 2024.20240313.70630+ds-6 [154 kB]
Get: 162 http://deb.debian.org/debian trixie/main arm64 libptexenc1 arm64 2024.20240313.70630+ds-6 [48.1 kB]
Get: 163 http://deb.debian.org/debian trixie/main arm64 libsynctex2 arm64 2024.20240313.70630+ds-6 [60.5 kB]
Get: 164 http://deb.debian.org/debian trixie/main arm64 libtexlua53-5 arm64 2024.20240313.70630+ds-6 [106 kB]
Get: 165 http://deb.debian.org/debian trixie/main arm64 t1utils arm64 1.41-4+b1 [57.6 kB]
Get: 166 http://deb.debian.org/debian trixie/main arm64 libpixman-1-0 arm64 0.44.0-3 [168 kB]
Get: 167 http://deb.debian.org/debian trixie/main arm64 libxcb-render0 arm64 1.17.0-2+b1 [115 kB]
Get: 168 http://deb.debian.org/debian trixie/main arm64 libxcb-shm0 arm64 1.17.0-2+b1 [105 kB]
Get: 169 http://deb.debian.org/debian trixie/main arm64 libxrender1 arm64 1:0.9.10-1.1+b4 [27.2 kB]
Get: 170 http://deb.debian.org/debian trixie/main arm64 libcairo2 arm64 1.18.4-1+b1 [483 kB]
Get: 171 http://deb.debian.org/debian trixie/main arm64 libgraphite2-3 arm64 1.3.14-2+b1 [70.4 kB]
Get: 172 http://deb.debian.org/debian trixie/main arm64 libharfbuzz0b arm64 10.2.0-1+b1 [442 kB]
Get: 173 http://deb.debian.org/debian trixie/main arm64 libmpfi0 arm64 1.5.4+ds-4 [34.5 kB]
Get: 174 http://deb.debian.org/debian trixie/main arm64 libpotrace0 arm64 1.16-2+b2 [23.4 kB]
Get: 175 http://deb.debian.org/debian trixie/main arm64 libteckit0 arm64 2.5.12+ds1-1+b1 [303 kB]
Get: 176 http://deb.debian.org/debian trixie/main arm64 x11-common all 1:7.7+24 [217 kB]
Get: 177 http://deb.debian.org/debian trixie/main arm64 libice6 arm64 2:1.1.1-1 [62.1 kB]
Get: 178 http://deb.debian.org/debian trixie/main arm64 libsm6 arm64 2:1.2.4-1 [34.2 kB]
Get: 179 http://deb.debian.org/debian trixie/main arm64 libxt6t64 arm64 1:1.2.1-1.2+b2 [173 kB]
Get: 180 http://deb.debian.org/debian trixie/main arm64 libxmu6 arm64 2:1.1.3-3+b4 [55.7 kB]
Get: 181 http://deb.debian.org/debian trixie/main arm64 libxpm4 arm64 1:3.5.17-1+b3 [53.4 kB]
Get: 182 http://deb.debian.org/debian trixie/main arm64 libxaw7 arm64 2:1.0.16-1 [195 kB]
Get: 183 http://deb.debian.org/debian trixie/main arm64 libxi6 arm64 2:1.8.2-1 [77.8 kB]
Get: 184 http://deb.debian.org/debian trixie/main arm64 libzzip-0-13t64 arm64 0.13.78+dfsg.1-0.1 [59.4 kB]
Get: 185 http://deb.debian.org/debian trixie/main arm64 texlive-binaries arm64 2024.20240313.70630+ds-6 [7369 kB]
Get: 186 http://deb.debian.org/debian trixie/main arm64 xdg-utils all 1.2.1-2 [75.8 kB]
Get: 187 http://deb.debian.org/debian trixie/main arm64 texlive-base all 2024.20250309-1 [23.1 MB]
Get: 188 http://deb.debian.org/debian trixie/main arm64 texlive-latex-base all 2024.20250309-1 [1294 kB]
Get: 189 http://deb.debian.org/debian trixie/main arm64 latexmk all 1:4.86~ds-1 [507 kB]
Get: 190 http://deb.debian.org/debian trixie/main arm64 libapache-pom-java all 33-2 [5852 B]
Get: 191 http://deb.debian.org/debian trixie/main arm64 uuid-dev arm64 2.40.4-5 [48.5 kB]
Get: 192 http://deb.debian.org/debian trixie/main arm64 libblkid-dev arm64 2.40.4-5 [209 kB]
Get: 193 http://deb.debian.org/debian trixie/main arm64 libboost1.83-dev arm64 1.83.0-4.1+b2 [10.6 MB]
Get: 194 http://deb.debian.org/debian trixie/main arm64 libboost-atomic1.83.0 arm64 1.83.0-4.1+b2 [234 kB]
Get: 195 http://deb.debian.org/debian trixie/main arm64 libboost-atomic1.83-dev arm64 1.83.0-4.1+b2 [235 kB]
Get: 196 http://deb.debian.org/debian trixie/main arm64 libboost-chrono1.83.0t64 arm64 1.83.0-4.1+b2 [240 kB]
Get: 197 http://deb.debian.org/debian trixie/main arm64 libboost-chrono1.83-dev arm64 1.83.0-4.1+b2 [245 kB]
Get: 198 http://deb.debian.org/debian trixie/main arm64 libboost-date-time1.83.0 arm64 1.83.0-4.1+b2 [231 kB]
Get: 199 http://deb.debian.org/debian trixie/main arm64 libboost-serialization1.83.0 arm64 1.83.0-4.1+b2 [325 kB]
Get: 200 http://deb.debian.org/debian trixie/main arm64 libboost-serialization1.83-dev arm64 1.83.0-4.1+b2 [373 kB]
Get: 201 http://deb.debian.org/debian trixie/main arm64 libboost-date-time1.83-dev arm64 1.83.0-4.1+b2 [240 kB]
Get: 202 http://deb.debian.org/debian trixie/main arm64 libboost-dev arm64 1.83.0.2+b2 [3828 B]
Get: 203 http://deb.debian.org/debian trixie/main arm64 libboost-regex1.83.0 arm64 1.83.0-4.1+b2 [314 kB]
Get: 204 http://deb.debian.org/debian trixie/main arm64 libicu-dev arm64 76.1-3 [10.6 MB]
Get: 205 http://deb.debian.org/debian trixie/main arm64 libboost-regex1.83-dev arm64 1.83.0-4.1+b2 [335 kB]
Get: 206 http://deb.debian.org/debian trixie/main arm64 libboost-iostreams1.83-dev arm64 1.83.0-4.1+b2 [261 kB]
Get: 207 http://deb.debian.org/debian trixie/main arm64 libboost-iostreams-dev arm64 1.83.0.2+b2 [3568 B]
Get: 208 http://deb.debian.org/debian trixie/main arm64 libboost-python1.83.0 arm64 1.83.0-4.1+b2 [297 kB]
Get: 209 http://deb.debian.org/debian trixie/main arm64 libboost-numpy1.83.0 arm64 1.83.0-4.1+b2 [241 kB]
Get: 210 http://deb.debian.org/debian trixie/main arm64 libboost-numpy1.83-dev arm64 1.83.0-4.1+b2 [246 kB]
Get: 211 http://deb.debian.org/debian trixie/main arm64 libboost-numpy-dev arm64 1.83.0.2+b2 [3632 B]
Get: 212 http://deb.debian.org/debian trixie/main arm64 libboost-program-options1.83.0 arm64 1.83.0-4.1+b2 [332 kB]
Get: 213 http://deb.debian.org/debian trixie/main arm64 libboost-program-options1.83-dev arm64 1.83.0-4.1+b2 [369 kB]
Get: 214 http://deb.debian.org/debian trixie/main arm64 libboost-program-options-dev arm64 1.83.0.2+b2 [3600 B]
Get: 215 http://deb.debian.org/debian trixie/main arm64 libpython3.13 arm64 3.13.2-2 [1972 kB]
Get: 216 http://deb.debian.org/debian trixie/main arm64 libexpat1-dev arm64 2.6.4-1 [143 kB]
Get: 217 http://deb.debian.org/debian trixie/main arm64 zlib1g-dev arm64 1:1.3.dfsg+really1.3.1-1+b1 [917 kB]
Get: 218 http://deb.debian.org/debian trixie/main arm64 libpython3.13-dev arm64 3.13.2-2 [4687 kB]
Get: 219 http://deb.debian.org/debian trixie/main arm64 libpython3-dev arm64 3.13.2-2 [10.3 kB]
Get: 220 http://deb.debian.org/debian trixie/main arm64 python3.13-dev arm64 3.13.2-2 [506 kB]
Get: 221 http://deb.debian.org/debian trixie/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB]
Get: 222 http://deb.debian.org/debian trixie/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB]
Get: 223 http://deb.debian.org/debian trixie/main arm64 libjs-sphinxdoc all 8.1.3-5 [30.5 kB]
Get: 224 http://deb.debian.org/debian trixie/main arm64 python3-dev arm64 3.13.2-2 [26.1 kB]
Get: 225 http://deb.debian.org/debian trixie/main arm64 libboost-python1.83-dev arm64 1.83.0-4.1+b2 [322 kB]
Get: 226 http://deb.debian.org/debian trixie/main arm64 libboost-python-dev arm64 1.83.0.2+b2 [3880 B]
Get: 227 http://deb.debian.org/debian trixie/main arm64 libboost-regex-dev arm64 1.83.0.2+b2 [3852 B]
Get: 228 http://deb.debian.org/debian trixie/main arm64 libboost-system1.83.0 arm64 1.83.0-4.1+b2 [231 kB]
Get: 229 http://deb.debian.org/debian trixie/main arm64 libboost-system1.83-dev arm64 1.83.0-4.1+b2 [232 kB]
Get: 230 http://deb.debian.org/debian trixie/main arm64 libboost-system-dev arm64 1.83.0.2+b2 [3720 B]
Get: 231 http://deb.debian.org/debian trixie/main arm64 libboost-thread1.83.0 arm64 1.83.0-4.1+b2 [266 kB]
Get: 232 http://deb.debian.org/debian trixie/main arm64 libboost-thread1.83-dev arm64 1.83.0-4.1+b2 [277 kB]
Get: 233 http://deb.debian.org/debian trixie/main arm64 libboost-thread-dev arm64 1.83.0.2+b2 [3616 B]
Get: 234 http://deb.debian.org/debian trixie/main arm64 libbrotli-dev arm64 1.1.0-2+b7 [308 kB]
Get: 235 http://deb.debian.org/debian trixie/main arm64 libbz2-dev arm64 1.0.8-6 [31.9 kB]
Get: 236 http://deb.debian.org/debian trixie/main arm64 libcairo-gobject2 arm64 1.18.4-1+b1 [130 kB]
Get: 237 http://deb.debian.org/debian trixie/main arm64 liblzo2-2 arm64 2.10-3+b1 [49.6 kB]
Get: 238 http://deb.debian.org/debian trixie/main arm64 libcairo-script-interpreter2 arm64 1.18.4-1+b1 [57.4 kB]
Get: 239 http://deb.debian.org/debian trixie/main arm64 libpng-dev arm64 1.6.47-1.1 [360 kB]
Get: 240 http://deb.debian.org/debian trixie/main arm64 libfreetype-dev arm64 2.13.3+dfsg-1 [600 kB]
Get: 241 http://deb.debian.org/debian trixie/main arm64 libpkgconf3 arm64 1.8.1-4 [35.3 kB]
Get: 242 http://deb.debian.org/debian trixie/main arm64 pkgconf-bin arm64 1.8.1-4 [29.6 kB]
Get: 243 http://deb.debian.org/debian trixie/main arm64 pkgconf arm64 1.8.1-4 [26.1 kB]
Get: 244 http://deb.debian.org/debian trixie/main arm64 libfontconfig-dev arm64 2.15.0-2.1 [412 kB]
Get: 245 http://deb.debian.org/debian trixie/main arm64 libffi-dev arm64 3.4.7-1 [57.1 kB]
Get: 246 http://deb.debian.org/debian trixie/main arm64 libsepol-dev arm64 3.8.1-1 [356 kB]
Get: 247 http://deb.debian.org/debian trixie/main arm64 libpcre2-16-0 arm64 10.45-1 [247 kB]
Get: 248 http://deb.debian.org/debian trixie/main arm64 libpcre2-32-0 arm64 10.45-1 [237 kB]
Get: 249 http://deb.debian.org/debian trixie/main arm64 libpcre2-posix3 arm64 10.45-1 [63.7 kB]
Get: 250 http://deb.debian.org/debian trixie/main arm64 libpcre2-dev arm64 10.45-1 [749 kB]
Get: 251 http://deb.debian.org/debian trixie/main arm64 libselinux1-dev arm64 3.8-4 [172 kB]
Get: 252 http://deb.debian.org/debian trixie/main arm64 libmount-dev arm64 2.40.4-5 [29.6 kB]
Get: 253 http://deb.debian.org/debian trixie/main arm64 libsysprof-capture-4-dev arm64 48~beta-2 [49.5 kB]
Get: 254 http://deb.debian.org/debian trixie/main arm64 libgio-2.0-dev arm64 2.84.0-2 [1706 kB]
Get: 255 http://deb.debian.org/debian trixie/main arm64 libglib2.0-data all 2.84.0-2 [1286 kB]
Get: 256 http://deb.debian.org/debian trixie/main arm64 libglib2.0-bin arm64 2.84.0-2 [124 kB]
Get: 257 http://deb.debian.org/debian trixie/main arm64 python3-packaging all 24.2-1 [55.3 kB]
Get: 258 http://deb.debian.org/debian trixie/main arm64 libgio-2.0-dev-bin arm64 2.84.0-2 [163 kB]
Get: 259 http://deb.debian.org/debian trixie/main arm64 libglib2.0-dev-bin arm64 2.84.0-2 [52.9 kB]
Get: 260 http://deb.debian.org/debian trixie/main arm64 libglib2.0-dev arm64 2.84.0-2 [53.6 kB]
Get: 261 http://deb.debian.org/debian trixie/main arm64 libpixman-1-dev arm64 0.44.0-3 [11.4 kB]
Get: 262 http://deb.debian.org/debian trixie/main arm64 xorg-sgml-doctools all 1:1.11-1.1 [22.1 kB]
Get: 263 http://deb.debian.org/debian trixie/main arm64 x11proto-dev all 2024.1-1 [603 kB]
Get: 264 http://deb.debian.org/debian trixie/main arm64 x11proto-core-dev all 2024.1-1 [3312 B]
Get: 265 http://deb.debian.org/debian trixie/main arm64 libice-dev arm64 2:1.1.1-1 [73.0 kB]
Get: 266 http://deb.debian.org/debian trixie/main arm64 libsm-dev arm64 2:1.2.4-1 [38.0 kB]
Get: 267 http://deb.debian.org/debian trixie/main arm64 libxau-dev arm64 1:1.0.11-1 [23.9 kB]
Get: 268 http://deb.debian.org/debian trixie/main arm64 libxdmcp-dev arm64 1:1.1.5-1 [44.2 kB]
Get: 269 http://deb.debian.org/debian trixie/main arm64 xtrans-dev all 1.4.0-1 [98.7 kB]
Get: 270 http://deb.debian.org/debian trixie/main arm64 libxcb1-dev arm64 1.17.0-2+b1 [182 kB]
Get: 271 http://deb.debian.org/debian trixie/main arm64 libx11-dev arm64 2:1.8.10-2 [877 kB]
Get: 272 http://deb.debian.org/debian trixie/main arm64 libxcb-render0-dev arm64 1.17.0-2+b1 [119 kB]
Get: 273 http://deb.debian.org/debian trixie/main arm64 libxcb-shm0-dev arm64 1.17.0-2+b1 [108 kB]
Get: 274 http://deb.debian.org/debian trixie/main arm64 libxext-dev arm64 2:1.3.4-1+b3 [105 kB]
Get: 275 http://deb.debian.org/debian trixie/main arm64 libxrender-dev arm64 1:0.9.10-1.1+b4 [35.7 kB]
Get: 276 http://deb.debian.org/debian trixie/main arm64 libcairo2-dev arm64 1.18.4-1+b1 [43.4 kB]
Get: 277 http://deb.debian.org/debian trixie/main arm64 libcommons-parent-java all 56-1 [10.8 kB]
Get: 278 http://deb.debian.org/debian trixie/main arm64 libcommons-logging-java all 1.3.0-1 [68.6 kB]
Get: 279 http://deb.debian.org/debian trixie/main arm64 libcoordgen3 arm64 3.0.2-1+b2 [204 kB]
Get: 280 http://deb.debian.org/debian trixie/main arm64 libcoordgen-dev arm64 3.0.2-1+b2 [46.9 kB]
Get: 281 http://deb.debian.org/debian trixie/main arm64 libdatrie1 arm64 0.2.13-3+b1 [37.6 kB]
Get: 282 http://deb.debian.org/debian trixie/main arm64 libeigen3-dev all 3.4.0-4 [1041 kB]
Get: 283 http://deb.debian.org/debian trixie/main arm64 libfontbox-java all 1:1.8.16-5 [211 kB]
Get: 284 http://deb.debian.org/debian trixie/main arm64 libfontenc1 arm64 1:1.1.8-1+b2 [22.5 kB]
Get: 285 http://deb.debian.org/debian trixie/main arm64 libfribidi0 arm64 1.0.16-1 [26.5 kB]
Get: 286 http://deb.debian.org/debian trixie/main arm64 libgdk-pixbuf2.0-common all 2.42.12+dfsg-2 [311 kB]
Get: 287 http://deb.debian.org/debian trixie/main arm64 shared-mime-info arm64 2.4-5+b2 [756 kB]
Get: 288 http://deb.debian.org/debian trixie/main arm64 libgdk-pixbuf-2.0-0 arm64 2.42.12+dfsg-2 [131 kB]
Get: 289 http://deb.debian.org/debian trixie/main arm64 libimagequant0 arm64 2.18.0-1+b2 [34.6 kB]
Get: 290 http://deb.debian.org/debian trixie/main arm64 libinchi1.07 arm64 1.07.3+dfsg-1 [499 kB]
Get: 291 http://deb.debian.org/debian trixie/main arm64 libinchi-dev arm64 1.07.3+dfsg-1 [19.6 kB]
Get: 292 http://deb.debian.org/debian trixie/main arm64 liblua5.4-0 arm64 5.4.7-1+b2 [134 kB]
Get: 293 http://deb.debian.org/debian trixie/main arm64 libmaeparser1 arm64 1.3.1-1+b2 [84.6 kB]
Get: 294 http://deb.debian.org/debian trixie/main arm64 libmaeparser-dev arm64 1.3.1-1+b2 [13.6 kB]
Get: 295 http://deb.debian.org/debian trixie/main arm64 libncurses6 arm64 6.5+20250216-2 [96.1 kB]
Get: 296 http://deb.debian.org/debian trixie/main arm64 libncurses-dev arm64 6.5+20250216-2 [340 kB]
Get: 297 http://deb.debian.org/debian trixie/main arm64 libnuma1 arm64 2.0.18-1+b1 [21.8 kB]
Get: 298 http://deb.debian.org/debian trixie/main arm64 libthai-data all 0.1.29-2 [168 kB]
Get: 299 http://deb.debian.org/debian trixie/main arm64 libthai0 arm64 0.1.29-2+b1 [48.4 kB]
Get: 300 http://deb.debian.org/debian trixie/main arm64 libpango-1.0-0 arm64 1.56.3-1 [213 kB]
Get: 301 http://deb.debian.org/debian trixie/main arm64 libpangoft2-1.0-0 arm64 1.56.3-1 [52.9 kB]
Get: 302 http://deb.debian.org/debian trixie/main arm64 libpangocairo-1.0-0 arm64 1.56.3-1 [33.7 kB]
Get: 303 http://deb.debian.org/debian trixie/main arm64 libpdfbox-java all 1:1.8.16-5 [5527 kB]
Get: 304 http://deb.debian.org/debian trixie/main arm64 libpfm4 arm64 4.13.0+git83-g91970fe-1 [63.6 kB]
Get: 305 http://deb.debian.org/debian trixie/main arm64 libpq5 arm64 17.4-1+b1 [219 kB]
Get: 306 http://deb.debian.org/debian trixie/main arm64 libssl-dev arm64 3.4.1-1 [3232 kB]
Get: 307 http://deb.debian.org/debian trixie/main arm64 libpq-dev arm64 17.4-1+b1 [146 kB]
Get: 308 http://deb.debian.org/debian trixie/main arm64 libraqm0 arm64 0.10.2-1 [13.6 kB]
Get: 309 http://deb.debian.org/debian trixie/main arm64 librsvg2-2 arm64 2.59.90+dfsg-2 [1573 kB]
Get: 310 http://deb.debian.org/debian trixie/main arm64 librsvg2-bin arm64 2.59.90+dfsg-2 [1723 kB]
Get: 311 http://deb.debian.org/debian trixie/main arm64 libsqlite3-dev arm64 3.46.1-2 [1058 kB]
Get: 312 http://deb.debian.org/debian trixie/main arm64 libxml2-dev arm64 2.12.7+dfsg+really2.9.14-0.2+b2 [751 kB]
Get: 313 http://deb.debian.org/debian trixie/main arm64 libyaml-0-2 arm64 0.2.5-2 [49.2 kB]
Get: 314 http://deb.debian.org/debian trixie/main arm64 libz3-dev arm64 4.13.3-1 [107 kB]
Get: 315 http://deb.debian.org/debian trixie/main arm64 llvm-19-runtime arm64 1:19.1.7-1+b1 [504 kB]
Get: 316 http://deb.debian.org/debian trixie/main arm64 llvm-19 arm64 1:19.1.7-1+b1 [14.7 MB]
Get: 317 http://deb.debian.org/debian trixie/main arm64 python3-pygments all 2.18.0+dfsg-2 [836 kB]
Get: 318 http://deb.debian.org/debian trixie/main arm64 python3-yaml arm64 6.0.2-1+b2 [122 kB]
Get: 319 http://deb.debian.org/debian trixie/main arm64 llvm-19-tools arm64 1:19.1.7-1+b1 [489 kB]
Get: 320 http://deb.debian.org/debian trixie/main arm64 llvm-19-dev arm64 1:19.1.7-1+b1 [40.1 MB]
Get: 321 http://deb.debian.org/debian trixie/main arm64 pandoc-data all 3.1.11.1-3 [459 kB]
Get: 322 http://deb.debian.org/debian trixie/main arm64 pandoc arm64 3.1.11.1+ds-2 [26.2 MB]
Get: 323 http://deb.debian.org/debian trixie/main arm64 postgresql-client-17 arm64 17.4-1+b1 [1984 kB]
Get: 324 http://deb.debian.org/debian trixie/main arm64 postgresql-server-dev-17 arm64 17.4-1+b1 [1309 kB]
Get: 325 http://deb.debian.org/debian trixie/main arm64 postgresql-server-dev-all all 275 [13.6 kB]
Get: 326 http://deb.debian.org/debian trixie/main arm64 preview-latex-style all 13.2-1 [350 kB]
Get: 327 http://deb.debian.org/debian trixie/main arm64 python-babel-localedata all 2.17.0-1 [6050 kB]
Get: 328 http://deb.debian.org/debian trixie/main arm64 python3-alabaster all 0.7.16-0.1 [27.9 kB]
Get: 329 http://deb.debian.org/debian trixie/main arm64 python3-babel all 2.17.0-1 [117 kB]
Get: 330 http://deb.debian.org/debian trixie/main arm64 python3-certifi all 2025.1.31+ds-1 [9652 B]
Get: 331 http://deb.debian.org/debian trixie/main arm64 python3-chardet all 5.2.0+dfsg-2 [108 kB]
Get: 332 http://deb.debian.org/debian trixie/main arm64 python3-charset-normalizer arm64 3.4.1-1+b1 [119 kB]
Get: 333 http://deb.debian.org/debian trixie/main arm64 python3-commonmark all 0.9.1-8 [45.5 kB]
Get: 334 http://deb.debian.org/debian trixie/main arm64 python3-dateutil all 2.9.0-4 [79.4 kB]
Get: 335 http://deb.debian.org/debian trixie/main arm64 python3-defusedxml all 0.7.1-3 [43.4 kB]
Get: 336 http://deb.debian.org/debian trixie/main arm64 python3-roman all 5.0-1 [10.6 kB]
Get: 337 http://deb.debian.org/debian trixie/main arm64 python3-docutils all 0.21.2+dfsg-2 [403 kB]
Get: 338 http://deb.debian.org/debian trixie/main arm64 python3-greenlet arm64 3.1.0-1+b2 [162 kB]
Get: 339 http://deb.debian.org/debian trixie/main arm64 python3-idna all 3.10-1 [42.0 kB]
Get: 340 http://deb.debian.org/debian trixie/main arm64 python3-imagesize all 1.4.1-1 [6688 B]
Get: 341 http://deb.debian.org/debian trixie/main arm64 python3-iniconfig all 1.1.1-2 [6396 B]
Get: 342 http://deb.debian.org/debian trixie/main arm64 python3-markupsafe arm64 2.1.5-1+b4 [14.1 kB]
Get: 343 http://deb.debian.org/debian trixie/main arm64 python3-jinja2 all 3.1.5-2 [107 kB]
Get: 344 http://deb.debian.org/debian trixie/main arm64 python3-mdurl all 0.1.2-1 [9444 B]
Get: 345 http://deb.debian.org/debian trixie/main arm64 python3-markdown-it all 3.0.0-2 [62.5 kB]
Get: 346 http://deb.debian.org/debian trixie/main arm64 python3-mdit-py-plugins all 0.4.2-1 [32.4 kB]
Get: 347 http://deb.debian.org/debian trixie/main arm64 sphinx-common all 8.1.3-5 [617 kB]
Get: 348 http://deb.debian.org/debian trixie/main arm64 python3-urllib3 all 2.3.0-2 [114 kB]
Get: 349 http://deb.debian.org/debian trixie/main arm64 python3-requests all 2.32.3+dfsg-4 [72.1 kB]
Get: 350 http://deb.debian.org/debian trixie/main arm64 python3-snowballstemmer all 2.2.0-4 [58.0 kB]
Get: 351 http://deb.debian.org/debian trixie/main arm64 python3-sphinx all 8.1.3-5 [468 kB]
Get: 352 http://deb.debian.org/debian trixie/main arm64 python3-myst-parser all 4.0.1-1 [78.8 kB]
Get: 353 http://deb.debian.org/debian trixie/main arm64 python3-pytz all 2025.1-3 [150 kB]
Get: 354 http://deb.debian.org/debian trixie/main arm64 python3-tz all 2025.1-3 [4004 B]
Get: 355 http://deb.debian.org/debian trixie/main arm64 python3-pandas-lib arm64 2.2.3+dfsg-8+b1 [3872 kB]
Get: 356 http://deb.debian.org/debian trixie/main arm64 python3-pandas all 2.2.3+dfsg-8 [3097 kB]
Get: 357 http://deb.debian.org/debian trixie/main arm64 python3-pil arm64 11.1.0-5+b1 [495 kB]
Get: 358 http://deb.debian.org/debian trixie/main arm64 python3-pluggy all 1.5.0-1 [26.9 kB]
Get: 359 http://deb.debian.org/debian trixie/main arm64 python3-pytest all 8.3.4-1 [250 kB]
Get: 360 http://deb.debian.org/debian trixie/main arm64 python3-recommonmark all 0.7.1+ds-8 [17.6 kB]
Get: 361 http://deb.debian.org/debian trixie/main arm64 python3-typing-extensions all 4.12.2-2 [73.0 kB]
Get: 362 http://deb.debian.org/debian trixie/main arm64 python3-sqlalchemy all 2.0.32+ds1-1 [1196 kB]
Get: 363 http://deb.debian.org/debian trixie/main arm64 rapidjson-dev all 1.1.0+dfsg2-7.3 [98.0 kB]
Get: 364 http://deb.debian.org/debian trixie/main arm64 xfonts-encodings all 1:1.0.4-2.2 [577 kB]
Get: 365 http://deb.debian.org/debian trixie/main arm64 xfonts-utils arm64 1:7.7+7 [89.3 kB]
Get: 366 http://deb.debian.org/debian trixie/main arm64 tex-gyre all 20180621-6 [6209 kB]
Get: 367 http://deb.debian.org/debian trixie/main arm64 texlive-fonts-recommended all 2024.20250309-1 [4989 kB]
Get: 368 http://deb.debian.org/debian trixie/main arm64 texlive-latex-recommended all 2024.20250309-1 [8745 kB]
Get: 369 http://deb.debian.org/debian trixie/main arm64 texlive-pictures all 2024.20250309-1 [17.0 MB]
Get: 370 http://deb.debian.org/debian trixie/main arm64 texlive-latex-extra all 2024.20250309-2 [25.2 MB]
Fetched 407 MB in 2s (185 MB/s)
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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'
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Setting up libfftw3-double3:arm64 (3.3.10-2+b1) ...
Setting up libkpathsea6:arm64 (2024.20240313.70630+ds-6) ...
Setting up libsasl2-2:arm64 (2.1.28+dfsg1-9) ...
Setting up libgfortran5:arm64 (14.2.0-17) ...
Setting up libraw23t64:arm64 (0.21.3-1+b1) ...
Setting up libboost-atomic1.83-dev:arm64 (1.83.0-4.1+b2) ...
Setting up autoconf (2.72-3) ...
Setting up libnghttp3-9:arm64 (1.8.0-1) ...
Setting up libwebp7:arm64 (1.5.0-0.1) ...
Setting up zlib1g-dev:arm64 (1:1.3.dfsg+really1.3.1-1+b1) ...
Setting up libffi8:arm64 (3.4.7-1) ...
Setting up libnuma1:arm64 (2.0.18-1+b1) ...
Setting up libpcre2-posix3:arm64 (10.45-1) ...
Setting up dwz (0.15-1+b1) ...
Setting up libdav1d7:arm64 (1.5.1-1) ...
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 (2:4.0.4-7) ...
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 libtasn1-6:arm64 (4.20.0-2) ...
Setting up fonts-lmodern (2.005-1) ...
Setting up liblua5.4-0:arm64 (5.4.7-1+b2) ...
Setting up libopenjp2-7:arm64 (2.5.3-2) ...
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 (6.5) ...
Setting up sgml-base (1.31) ...
Setting up cmake-data (3.31.6-1) ...
Setting up librhash1:arm64 (1.4.5-1) ...
Setting up libkrb5-3:arm64 (1.21.3-5) ...
Setting up libboost-dev:arm64 (1.83.0.2+b2) ...
Setting up libicu76:arm64 (76.1-3) ...
Setting up libboost-system1.83-dev:arm64 (1.83.0-4.1+b2) ...
Setting up libpaper2:arm64 (2.2.5-0.3+b1) ...
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+b3) ...
Setting up openssl (3.4.1-1) ...
Setting up libwebpmux3:arm64 (1.5.0-0.1) ...
Setting up libinchi1.07 (1.07.3+dfsg-1) ...
Setting up libcatch2-dev (3.7.1-0.5) ...
Setting up readline-common (8.2-6) ...
Setting up libxml2:arm64 (2.12.7+dfsg+really2.9.14-0.2+b2) ...
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 libldap2:arm64 (2.6.9+dfsg-2) ...
Setting up libbrotli-dev:arm64 (1.1.0-2+b7) ...
Setting up libfmt10:arm64 (10.1.1+ds1-4) ...
Setting up libsynctex2:arm64 (2024.20240313.70630+ds-6) ...
Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ...
Setting up postgresql-common-dev (275) ...
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 (1:1.17-3) ...
update-alternatives: using /usr/bin/automake-1.17 to provide /usr/bin/automake (automake) in auto mode
Setting up x11proto-dev (2024.1-1) ...
Setting up postgresql-client-common (275) ...
Setting up libfile-stripnondeterminism-perl (1.14.1-2) ...
Setting up libblkid-dev:arm64 (2.40.4-5) ...
Setting up libllvm19:arm64 (1:19.1.7-1+b1) ...
Setting up catch2 (3.7.1-0.5) ...
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+b4) ...
Setting up libinchi-dev (1.07.3+dfsg-1) ...
Setting up liblapack3:arm64 (3.12.1-2) ...
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+20250216-2) ...
Setting up gettext (0.23.1-1) ...
Setting up libclang1-19 (1:19.1.7-1+b1) ...
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 (1.83.0-4.1+b2) ...
Setting up libxpm4:arm64 (1:3.5.17-1+b3) ...
Setting up libpcre2-dev:arm64 (10.45-1) ...
Setting up libxrender1:arm64 (1:0.9.10-1.1+b4) ...
Setting up libice-dev:arm64 (2:1.1.1-1) ...
Setting up libtool (2.5.4-4) ...
Setting up libselinux1-dev:arm64 (3.8-4) ...
Setting up fontconfig-config (2.15.0-2.1) ...
Setting up libwebpdemux2:arm64 (1.5.0-0.1) ...
Setting up libboost-system-dev:arm64 (1.83.0.2+b2) ...
Setting up libpng-dev:arm64 (1.6.47-1.1) ...
Setting up libcommons-parent-java (56-1) ...
Setting up libboost-serialization1.83-dev:arm64 (1.83.0-4.1+b2) ...
Setting up libcommons-logging-java (1.3.0-1) ...
Setting up libxext6:arm64 (2:1.3.4-1+b3) ...
Setting up libobjc4:arm64 (14.2.0-17) ...
Setting up libidn2-0:arm64 (2.3.8-2) ...
Setting up libobjc-14-dev:arm64 (14.2.0-17) ...
Setting up libpaper-utils (2.2.5-0.3+b1) ...
Setting up libffi-dev:arm64 (3.4.7-1) ...
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 (20241223) ...
Updating certificates in /etc/ssl/certs...
152 added, 0 removed; done.
Setting up libxdmcp-dev:arm64 (1:1.1.5-1) ...
Setting up libglib2.0-0t64:arm64 (2.84.0-2) ...
No schema files found: doing nothing.
Setting up libptexenc1:arm64 (2024.20240313.70630+ds-6) ...
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 (1.83.0-4.1+b2) ...
Setting up x11proto-core-dev (2024.1-1) ...
Setting up shared-mime-info (2.4-5+b2) ...
Setting up libp11-kit0:arm64 (0.25.5-3) ...
Setting up libboost-numpy-dev (1.83.0.2+b2) ...
Setting up libeigen3-dev (3.4.0-4) ...
Setting up libgssapi-krb5-2:arm64 (1.21.3-5) ...
Setting up icu-devtools (76.1-3) ...
Setting up ucf (3.0050) ...
Setting up libjs-sphinxdoc (8.1.3-5) ...
Setting up libreadline8t64:arm64 (8.2-6) ...
Setting up dh-strip-nondeterminism (1.14.1-2) ...
Setting up liblqr-1-0:arm64 (0.4.2-2.1+b2) ...
Setting up groff-base (1.23.0-7) ...
Setting up xml-core (0.19) ...
Setting up libharfbuzz0b:arm64 (10.2.0-1+b1) ...
Setting up libgdk-pixbuf-2.0-0:arm64 (2.42.12+dfsg-2) ...
Setting up llvm-19-linker-tools (1:19.1.7-1+b1) ...
Setting up libfontconfig1:arm64 (2.15.0-2.1) ...
Setting up libcoordgen-dev:arm64 (3.0.2-1+b2) ...
Setting up llvm-19-runtime (1:19.1.7-1+b1) ...
Setting up libsm6:arm64 (2:1.2.4-1) ...
Setting up libarchive13t64:arm64 (3.7.4-1.1) ...
Setting up libpython3.13-stdlib:arm64 (3.13.2-2) ...
Setting up libicu-dev:arm64 (76.1-3) ...
Setting up libmount-dev:arm64 (2.40.4-5) ...
Setting up libpython3-stdlib:arm64 (3.13.2-2) ...
Setting up libclang-cpp19 (1:19.1.7-1+b1) ...
Setting up libpython3.13:arm64 (3.13.2-2) ...
Setting up libgnutls30t64:arm64 (3.8.9-2) ...
Setting up libboost-thread1.83-dev:arm64 (1.83.0-4.1+b2) ...
Setting up fontconfig (2.15.0-2.1) ...
Regenerating fonts cache... done.
Setting up libgio-2.0-dev:arm64 (2.84.0-2) ...
Setting up libxcb1-dev:arm64 (1.17.0-2+b1) ...
Setting up libxi6:arm64 (2:1.8.2-1) ...
Setting up python3.13 (3.13.2-2) ...
Setting up libgirepository-2.0-0:arm64 (2.84.0-2) ...
Setting up libsm-dev:arm64 (2:1.2.4-1) ...
Setting up po-debconf (1.0.21+nmu1) ...
Setting up libpango-1.0-0:arm64 (1.56.3-1) ...
Setting up libpsl5t64:arm64 (0.21.2-1.1+b1) ...
Setting up libpq5:arm64 (17.4-1+b1) ...
Setting up libx11-dev:arm64 (2:1.8.10-2) ...
Setting up libglib2.0-bin (2.84.0-2) ...
Setting up libpq-dev (17.4-1+b1) ...
Setting up python3 (3.13.2-2) ...
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 python3-markupsafe (2.1.5-1+b4) ...
Setting up clang-19 (1:19.1.7-1+b1) ...
Setting up libcairo2:arm64 (1.18.4-1+b1) ...
Setting up libfreetype-dev:arm64 (2.13.3+dfsg-1) ...
Setting up tex-common (6.19) ...
update-language: texlive-base not installed and configured, doing nothing!
Setting up libxcb-shm0-dev:arm64 (1.17.0-2+b1) ...
Setting up python3-roman (5.0-1) ...
Setting up python3-jinja2 (3.1.5-2) ...
Setting up python3-pygments (2.18.0+dfsg-2) ...
Setting up libxml2-dev:arm64 (2.12.7+dfsg+really2.9.14-0.2+b2) ...
Setting up doxygen (1.9.8+ds-2.1) ...
Setting up python3-packaging (24.2-1) ...
Setting up python3-chardet (5.2.0+dfsg-2) ...
Setting up python3-certifi (2025.1.31+ds-1) ...
Setting up librtmp1:arm64 (2.4+20151223.gitfa8646d.1-2+b5) ...
Setting up python3-snowballstemmer (2.2.0-4) ...
Setting up libraqm0:arm64 (0.10.2-1) ...
Setting up libpython3.13-dev:arm64 (3.13.2-2) ...
Setting up python3-mdurl (0.1.2-1) ...
Setting up sphinx-common (8.1.3-5) ...
Setting up python3-greenlet (3.1.0-1+b2) ...
Setting up libxt6t64:arm64 (1:1.2.1-1.2+b2) ...
Setting up postgresql-common (275) ...
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 python3-idna (3.10-1) ...
Setting up libboost-regex1.83-dev:arm64 (1.83.0-4.1+b2) ...
Setting up python3-typing-extensions (4.12.2-2) ...
Setting up libxcb-render0-dev:arm64 (1.17.0-2+b1) ...
Setting up python3-numpy (1:2.2.3+ds-5) ...
Setting up python3-urllib3 (2.3.0-2) ...
Setting up python3-pluggy (1.5.0-1) ...
Setting up libxext-dev:arm64 (2:1.3.4-1+b3) ...
Setting up python3-markdown-it (3.0.0-2) ...
Setting up python3-dateutil (2.9.0-4) ...
Setting up libcairo-gobject2:arm64 (1.18.4-1+b1) ...
Setting up libpangoft2-1.0-0:arm64 (1.56.3-1) ...
Setting up libboost-regex-dev:arm64 (1.83.0.2+b2) ...
Setting up libxrender-dev:arm64 (1:0.9.10-1.1+b4) ...
Setting up tex-gyre (20180621-6) ...
Setting up libboost-thread-dev:arm64 (1.83.0.2+b2) ...
Setting up libpangocairo-1.0-0:arm64 (1.56.3-1) ...
Setting up python3-imagesize (1.4.1-1) ...
Setting up python3-commonmark (0.9.1-8) ...
Setting up dh-python (6.20250308) ...
Setting up libcairo-script-interpreter2:arm64 (1.18.4-1+b1) ...
Setting up python3-iniconfig (1.1.1-2) ...
Setting up libgio-2.0-dev-bin (2.84.0-2) ...
Setting up libxmu6:arm64 (2:1.1.3-3+b4) ...
Setting up girepository-tools:arm64 (2.84.0-2) ...
Setting up libpython3-dev:arm64 (3.13.2-2) ...
Setting up libcurl4t64:arm64 (8.12.1-3) ...
Setting up python3-babel (2.17.0-1) ...
update-alternatives: using /usr/bin/pybabel-python3 to provide /usr/bin/pybabel (pybabel) in auto mode
Setting up postgresql-client-17 (17.4-1+b1) ...
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 (2.15.0-2.1) ...
Setting up python3-defusedxml (0.7.1-3) ...
Setting up python3-charset-normalizer (3.4.1-1+b1) ...
Setting up python3.13-dev (3.13.2-2) ...
Setting up libboost-iostreams1.83-dev:arm64 (1.83.0-4.1+b2) ...
Setting up python3-pytest (8.3.4-1) ...
Setting up python3-alabaster (0.7.16-0.1) ...
Setting up preview-latex-style (13.2-1) ...
Setting up python3-pandas-lib:arm64 (2.2.3+dfsg-8+b1) ...
Setting up python3-mdit-py-plugins (0.4.2-1) ...
Setting up python3-yaml (6.0.2-1+b2) ...
Setting up debhelper (13.24.1) ...
Setting up python3-pytz (2025.1-3) ...
Setting up libxaw7:arm64 (2:1.0.16-1) ...
Setting up libboost-iostreams-dev:arm64 (1.83.0.2+b2) ...
Setting up python3-tz (2025.1-3) ...
Setting up python3-sqlalchemy (2.0.32+ds1-1) ...
Setting up librsvg2-2:arm64 (2.59.90+dfsg-2) ...
Setting up python3-pil:arm64 (11.1.0-5+b1) ...
Setting up python3-pandas (2.2.3+dfsg-8) ...
Setting up python3-dev (3.13.2-2) ...
Setting up python3-requests (2.32.3+dfsg-4) ...
Setting up libboost-python1.83-dev (1.83.0-4.1+b2) ...
Setting up texlive-binaries (2024.20240313.70630+ds-6) ...
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 cmake (3.31.6-1) ...
Setting up llvm-19 (1:19.1.7-1+b1) ...
Setting up llvm-19-tools (1:19.1.7-1+b1) ...
Setting up texlive-base (2024.20250309-1) ...
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 libglib2.0-dev-bin (2.84.0-2) ...
Setting up librsvg2-bin (2.59.90+dfsg-2) ...
Setting up libboost-python-dev (1.83.0.2+b2) ...
Setting up libglib2.0-dev:arm64 (2.84.0-2) ...
Setting up texlive-latex-base (2024.20250309-1) ...
Setting up texlive-latex-recommended (2024.20250309-1) ...
Setting up llvm-19-dev (1:19.1.7-1+b1) ...
Setting up texlive-pictures (2024.20250309-1) ...
Setting up texlive-fonts-recommended (2024.20250309-1) ...
Setting up libcairo2-dev:arm64 (1.18.4-1+b1) ...
Setting up latexmk (1:4.86~ds-1) ...
Setting up texlive-latex-extra (2024.20250309-2) ...
Setting up postgresql-server-dev-17 (17.4-1+b1) ...
Setting up postgresql-server-dev-all (275) ...
Setting up libheif-plugin-dav1d:arm64 (1.19.7-1) ...
Setting up libheif-plugin-libde265:arm64 (1.19.7-1) ...
Setting up libheif1:arm64 (1.19.7-1) ...
Setting up libmagickcore-7.q16-10:arm64 (8:7.1.1.43+dfsg1-1) ...
Setting up libmagickwand-7.q16-10:arm64 (8:7.1.1.43+dfsg1-1) ...
Setting up imagemagick-7.q16 (8:7.1.1.43+dfsg1-1) ...
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 (8:7.1.1.43+dfsg1-1) ...
Processing triggers for libc-bin (2.41-4) ...
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 (8.1.3-5) ...
Setting up python3-myst-parser (4.0.1-1) ...
Setting up python3-recommonmark (0.7.1+ds-8) ...
Processing triggers for ca-certificates (20241223) ...
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 (6.19) ...
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-202409.6/ && 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_202409.6-2_source.changes
dpkg-buildpackage: info: source package rdkit
dpkg-buildpackage: info: source version 202409.6-2
dpkg-buildpackage: info: source distribution unstable
dpkg-buildpackage: info: source changed by Michael Banck <mbanck@debian.org>
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-202409.6'
find /build/reproducible-path/rdkit-202409.6 -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-202409.6/Code/PgSQL/rdkit/build-*
make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
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-202409.6'
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/python3.13 ../
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/python3.13 ../ ..
-- 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 "3.13.2") found components: Interpreter Development.Module NumPy
Python Install directory /usr/lib/python3.13/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 "17.4")
== Using strict rotor definition
-- 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 "3.13.2") 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
CMake Warning (dev) at Code/PgSQL/rdkit/CMakeLists.txt:303 (add_custom_command):
Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming
POST_BUILD to preserve backward compatibility.
Policy CMP0175 is not set: add_custom_command() rejects invalid arguments.
Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy
command to set the policy and suppress this warning.
This warning is for project developers. Use -Wno-dev to suppress it.
CMake Warning (dev) at Code/PgSQL/rdkit/CMakeLists.txt:303 (add_custom_command):
Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming
POST_BUILD to preserve backward compatibility.
Policy CMP0175 is not set: add_custom_command() rejects invalid arguments.
Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy
command to set the policy and suppress this warning.
This warning is for project developers. Use -Wno-dev to suppress it.
CMake Warning (dev) at Code/PgSQL/rdkit/CMakeLists.txt:303 (add_custom_command):
Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming
POST_BUILD to preserve backward compatibility.
Policy CMP0175 is not set: add_custom_command() rejects invalid arguments.
Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy
command to set the policy and suppress this warning.
This warning is for project developers. Use -Wno-dev to suppress it.
-- Configuring done (3.5s)
-- Generating done (1.1s)
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-202409.6/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 "17.4")
postgres: /usr/include/postgresql;/usr/include/postgresql/17/server
CMake Warning (dev) at CMakeLists.txt:303 (add_custom_command):
Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming
POST_BUILD to preserve backward compatibility.
Policy CMP0175 is not set: add_custom_command() rejects invalid arguments.
Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy
command to set the policy and suppress this warning.
This warning is for project developers. Use -Wno-dev to suppress it.
CMake Warning (dev) at CMakeLists.txt:303 (add_custom_command):
Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming
POST_BUILD to preserve backward compatibility.
Policy CMP0175 is not set: add_custom_command() rejects invalid arguments.
Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy
command to set the policy and suppress this warning.
This warning is for project developers. Use -Wno-dev to suppress it.
CMake Warning (dev) at CMakeLists.txt:303 (add_custom_command):
Exactly one of PRE_BUILD, PRE_LINK, or POST_BUILD must be given. Assuming
POST_BUILD to preserve backward compatibility.
Policy CMP0175 is not set: add_custom_command() rejects invalid arguments.
Run "cmake --help-policy CMP0175" for policy details. Use the cmake_policy
command to set the policy and suppress this warning.
This warning is for project developers. Use -Wno-dev to suppress it.
-- Configuring done (1.4s)
-- Generating done (0.0s)
-- Build files have been written to: /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17
make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
debian/rules override_dh_auto_build
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dh_auto_build
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_symlink_library ../../../../lib/libRDKithc.so.1.2024.09.6 ../../../../lib/libRDKithc.so.1 ../../../../lib/libRDKithc.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeneral.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1 ../../lib/libRDKitRDGeneral.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /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 -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/DiscreteDistMat.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/DiscreteDistMat.cpp
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[ 3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o
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[ 3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o
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[ 6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../lib/libRDKitCatalogs.so.1 ../../lib/libRDKitCatalogs.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/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 -DrdMetricMatrixCalc_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -MF CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o.d -o CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap/rdMetricMatrixCalc.cpp
[ 9%] Building CXX object Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKitSimDivPickers.so.1 ../../lib/libRDKitSimDivPickers.so
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[ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o
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[ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform3D.cpp
[ 11%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/InfoTheory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitInfoTheory.so.1 -o ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../lib/libRDKitInfoTheory.so.1 ../../../lib/libRDKitInfoTheory.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/DependInfo.cmake "--color="
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[ 11%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/InfoBitRanker.cpp.o -MF CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/InfoBitRanker.cpp
[ 12%] Linking CXX executable pickersTestsCatch
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[ 12%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/Data && /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 -DcQuantize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o -MF CMakeFiles/cQuantize.dir/cQuantize.cpp.o.d -o CMakeFiles/cQuantize.dir/cQuantize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Data/cQuantize.cpp
[ 12%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMetricMatrixCalc.dir/link.txt --verbose=1
[ 13%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdMetricMatrixCalc.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 13%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/HierarchicalClusterPicker.cpp
[ 13%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformRealValueGrid3D.cpp
[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o
[ 13%] Linking CXX executable testFPB
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFPB.dir/link.txt --verbose=1
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make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Atom.cpp
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdSimDivPickers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/SimDivFilters/rdSimDivPickers.so CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o ../../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKithc.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o
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[ 14%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o ../../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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_Utils.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_Utils.cpp
[ 14%] Building CXX object Code/Geometry/CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1 ../../../lib/libRDKitAlignment.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/CMakeFiles/geometryTestsCatch.dir/DependInfo.cmake "--color="
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/Geometry/catch_tests.cpp
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testGrid.dir/link.d CMakeFiles/testGrid.dir/testGrid.cpp.o -o testGrid ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testTransforms.dir/link.d CMakeFiles/testTransforms.dir/testTransforms.cpp.o -o testTransforms ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/FindRings.cpp.o -MF CMakeFiles/GraphMol.dir/FindRings.cpp.o.d -o CMakeFiles/GraphMol.dir/FindRings.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindRings.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/ROMol.cpp.o -MF CMakeFiles/GraphMol.dir/ROMol.cpp.o.d -o CMakeFiles/GraphMol.dir/ROMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ROMol.cpp
[ 17%] Linking CXX shared library ../../lib/libRDKitChemicalFeatures.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemicalFeatures.dir/link.txt --verbose=1
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../lib/libRDKitChemicalFeatures.so.1 ../../lib/libRDKitChemicalFeatures.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o
[ 17%] Built target ChemicalFeatures
make -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/depend
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/RWMol.cpp.o -MF CMakeFiles/GraphMol.dir/RWMol.cpp.o.d -o CMakeFiles/GraphMol.dir/RWMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RWMol.cpp
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/DependInfo.cmake "--color="
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -MF CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o.d -o CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/testChemicalFeatures.cpp
[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/PeriodicTable.cpp
[ 18%] Linking CXX shared module ../../../rdkit/DataStructs/cDataStructs.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/cDataStructs.dir/link.txt --verbose=1
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindRings.cpp: In function 'void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&)':
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindRings.cpp:1292:36: warning: unused parameter 'mol' [-Wunused-parameter]
1292 | void findRingFamilies(const ROMol &mol) {
| ~~~~~~~~~~~~~^~~
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/cDataStructs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/DataStructs/cDataStructs.so CMakeFiles/cDataStructs.dir/DataStructs.cpp.o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/atomic_data.cpp
[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/QueryOps.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-202409.6/Code/GraphMol/PeriodicTable.h:14,
from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PeriodicTable.cpp:11:
/usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair<typename std::__strip_reference_wrapper<typename std::decay<_Tp>::type>::__type, typename std::__strip_reference_wrapper<typename std::decay<_Tp2>::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper<typename decay<_Tp>::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper<typename decay<_Tp2>::type>::__type = double; typename decay<_Tp2>::type = double]':
/build/reproducible-path/rdkit-202409.6/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<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
1132 | make_pair(_T1&& __x, _T2&& __y)
| ^~~~~~~~~
[ 18%] Linking CXX executable testChemicalFeatures
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolPickler.cpp.o -MF CMakeFiles/GraphMol.dir/MolPickler.cpp.o.d -o CMakeFiles/GraphMol.dir/MolPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolPickler.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Canon.cpp
[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AtomIterators.cpp
[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/BondIterators.cpp.o -MF CMakeFiles/GraphMol.dir/BondIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/BondIterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/BondIterators.cpp
[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Aromaticity.cpp.o -MF CMakeFiles/GraphMol.dir/Aromaticity.cpp.o.d -o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Aromaticity.cpp
[ 18%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeometry.dir/link.txt --verbose=1
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[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Kekulize.cpp.o -MF CMakeFiles/GraphMol.dir/Kekulize.cpp.o.d -o CMakeFiles/GraphMol.dir/Kekulize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Kekulize.cpp
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolPickler.cpp: In function 'void RDKit::streamReadPositiveChar(std::istream&, char&, int)':
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolPickler.cpp:72:11: warning: comparison is always false due to limited range of data type [-Wtype-limits]
72 | if (res < 0) {
| ~~~~^~~
[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/ConjugHybrid.cpp.o -MF CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o.d -o CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ConjugHybrid.cpp
[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/AddHs.cpp.o -MF CMakeFiles/GraphMol.dir/AddHs.cpp.o.d -o CMakeFiles/GraphMol.dir/AddHs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AddHs.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Matrices.cpp.o -MF CMakeFiles/GraphMol.dir/Matrices.cpp.o.d -o CMakeFiles/GraphMol.dir/Matrices.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Matrices.cpp
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdBase.dir/link.txt --verbose=1
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[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Chirality.cpp.o -MF CMakeFiles/GraphMol.dir/Chirality.cpp.o.d -o CMakeFiles/GraphMol.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Chirality.cpp
[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/RingInfo.cpp.o -MF CMakeFiles/GraphMol.dir/RingInfo.cpp.o.d -o CMakeFiles/GraphMol.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RingInfo.cpp
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[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Renumber.cpp.o -MF CMakeFiles/GraphMol.dir/Renumber.cpp.o.d -o CMakeFiles/GraphMol.dir/Renumber.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Renumber.cpp
[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/AdjustQuery.cpp
[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Resonance.cpp.o -MF CMakeFiles/GraphMol.dir/Resonance.cpp.o.d -o CMakeFiles/GraphMol.dir/Resonance.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Resonance.cpp
[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/StereoGroup.cpp.o -MF CMakeFiles/GraphMol.dir/StereoGroup.cpp.o.d -o CMakeFiles/GraphMol.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StereoGroup.cpp
[ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/new_canon.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/new_canon.cpp.o -MF CMakeFiles/GraphMol.dir/new_canon.cpp.o.d -o CMakeFiles/GraphMol.dir/new_canon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/new_canon.cpp
[ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SubstanceGroup.cpp.o -MF CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstanceGroup.cpp
[ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindStereo.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/FindStereo.cpp.o -MF CMakeFiles/GraphMol.dir/FindStereo.cpp.o.d -o CMakeFiles/GraphMol.dir/FindStereo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindStereo.cpp
[ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MonomerInfo.cpp
[ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/NontetrahedralStereo.cpp
[ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Atropisomers.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Atropisomers.cpp
[ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/WedgeBonds.cpp.o -MF CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o.d -o CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/WedgeBonds.cpp
[ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolProps.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolProps.cpp
[ 20%] Linking CXX shared library ../../lib/libRDKitGraphMol.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/GraphMol.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGraphMol.so.1 -o ../../lib/libRDKitGraphMol.so.1.2024.09.6 CMakeFiles/GraphMol.dir/Atom.cpp.o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o CMakeFiles/GraphMol.dir/QueryBond.cpp.o CMakeFiles/GraphMol.dir/Bond.cpp.o CMakeFiles/GraphMol.dir/MolOps.cpp.o CMakeFiles/GraphMol.dir/FindRings.cpp.o CMakeFiles/GraphMol.dir/ROMol.cpp.o CMakeFiles/GraphMol.dir/RWMol.cpp.o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o CMakeFiles/GraphMol.dir/atomic_data.cpp.o CMakeFiles/GraphMol.dir/QueryOps.cpp.o CMakeFiles/GraphMol.dir/MolPickler.cpp.o CMakeFiles/GraphMol.dir/Canon.cpp.o CMakeFiles/GraphMol.dir/AtomIterators.cpp.o CMakeFiles/GraphMol.dir/BondIterators.cpp.o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o CMakeFiles/GraphMol.dir/Kekulize.cpp.o CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o CMakeFiles/GraphMol.dir/AddHs.cpp.o CMakeFiles/GraphMol.dir/Matrices.cpp.o CMakeFiles/GraphMol.dir/Chirality.cpp.o CMakeFiles/GraphMol.dir/RingInfo.cpp.o CMakeFiles/GraphMol.dir/Conformer.cpp.o CMakeFiles/GraphMol.dir/Renumber.cpp.o CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o CMakeFiles/GraphMol.dir/Resonance.cpp.o CMakeFiles/GraphMol.dir/StereoGroup.cpp.o CMakeFiles/GraphMol.dir/new_canon.cpp.o CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o CMakeFiles/GraphMol.dir/FindStereo.cpp.o CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o CMakeFiles/GraphMol.dir/Atropisomers.cpp.o CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o CMakeFiles/GraphMol.dir/MolProps.cpp.o ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1 ../../lib/libRDKitGraphMol.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /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_SUBGRAPHS_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 -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/SmilesParse/smarts.tab.cpp
[ 22%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so
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[ 22%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so
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[ 23%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogParams.cpp
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../lib/libRDKitMolCatalog.so.1 ../../../lib/libRDKitMolCatalog.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so
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[ 25%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o
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[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
[ 27%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SmilesParse.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SmilesParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSmilesParse.so.1 -o ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1 ../../../lib/libRDKitSmilesParse.so
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[ 27%] Building CXX object Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -MF CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o.d -o CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp
[ 27%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdtrajectory.dir/link.txt --verbose=1
[ 27%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Writer.cpp.o -MF CMakeFiles/MolInterchange.dir/Writer.cpp.o.d -o CMakeFiles/MolInterchange.dir/Writer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Writer.cpp
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/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 -DrdMolTransforms_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -MF CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o.d -o CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp
[ 27%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1 ../../../lib/libRDKitOptimizer.so
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[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp
[ 27%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemicalFeatures.dir/link.txt --verbose=1
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[ 27%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/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 -DrdMolCatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.cpp
[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o
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[ 28%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
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[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Rule1b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
[ 28%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so
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[ 28%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/Numerics/Optimizer/testOptimizer.cpp
[ 29%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so
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[ 29%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o
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[ 29%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o
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[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o
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[ 31%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/itertest.cpp
[ 31%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 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.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/DependInfo.cmake "--color="
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[ 31%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/memtest1.cpp
[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Rule5.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
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[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Rule6.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/ForceField/AngleConstraint.cpp
[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
[ 31%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1
[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/AngleConstraints.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/AngleConstraints.cpp
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/ShapeHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitShapeHelpers.so.1 -o ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so
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[ 32%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -MF CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o.d -o CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_moliterators.cpp
[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/ForceField/DistanceConstraint.cpp
[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so
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[ 32%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so
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[ 32%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/smiTest2.dir/test2.cpp.o -MF CMakeFiles/smiTest2.dir/test2.cpp.o.d -o CMakeFiles/smiTest2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/test2.cpp
[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/DistanceConstraints.cpp.o -MF CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/DistanceConstraints.cpp
[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 ../../../../rdkit/Chem/rdMolCatalog.so CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o ../../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/ForceField/PositionConstraint.cpp
[ 32%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o CMakeFiles/CIPLabeler.dir/Node.cpp.o CMakeFiles/CIPLabeler.dir/Edge.cpp.o CMakeFiles/CIPLabeler.dir/Sort.cpp.o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so
[ 32%] Linking CXX executable graphmolMemTest1
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMemTest1.dir/link.txt --verbose=1
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[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/ForceField/TorsionConstraint.cpp
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/graphmolMemTest1.dir/link.d CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -o graphmolMemTest1 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 32%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/SmilesParse/smatest.cpp
[ 32%] Linking CXX executable graphmolIterTest
cd /build/reproducible-path/rdkit-202409.6/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 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/graphmolIterTest.dir/link.d CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -o graphmolIterTest ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 32%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/SmilesParse/v2catch_tests.cpp
[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/AngleBend.cpp
[ 32%] Linking CXX executable moliteratorTestsCatch
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/moliteratorTestsCatch.dir/link.txt --verbose=1
[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/BondStretch.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/moliteratorTestsCatch.dir/link.d CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -o moliteratorTestsCatch ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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make -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/depend
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[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/ForceField/UFF/Inversion.cpp
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[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MMFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/TorsionAngle.cpp
[ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/FragCatGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatGenerator.cpp
/build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp: In function 'std::pair<double, double> ForceFields::MMFF::Utils::calcStbnForceConstants(const ForceFields::MMFF::MMFFStbn*)':
/build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp:27:35: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
27 | const MMFFStbn *mmffStbnParams) {
| ^
[ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o
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[ 34%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so
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[ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MACCS.cpp.o -MF CMakeFiles/Fingerprints.dir/MACCS.cpp.o.d -o CMakeFiles/Fingerprints.dir/MACCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MACCS.cpp
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../lib/libRDKitReducedGraphs.so.1 ../../../lib/libRDKitReducedGraphs.so
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[ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
[ 34%] Built target ReducedGraphs
make -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend
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[ 34%] Linking CXX executable smaTest1
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 34%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp
[ 35%] Linking CXX shared library ../../lib/libRDKitForceField.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/ForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceField.so.1 -o ../../lib/libRDKitForceField.so.1.2024.09.6 CMakeFiles/ForceField.dir/ForceField.cpp.o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/Params.cpp.o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 35%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
[ 35%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 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.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so
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[ 35%] Built target MolChemicalFeatures
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[ 36%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/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 -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp
[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Fingerprints/MHFP.cpp
[ 37%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdSLNParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdSLNParse.so CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o ../../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 37%] Built target rdSLNParse
[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp
[ 37%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/FragCatParams.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatParams.cpp
[ 37%] Linking CXX executable testReducedGraphs
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReducedGraphs.dir/link.txt --verbose=1
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[ 37%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o
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[ 37%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o
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[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o
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[ 37%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp
[ 37%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdReducedGraphs.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdReducedGraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdReducedGraphs.so CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o ../../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 37%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/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 -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolChemicalFeature.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp
[ 37%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolAlign.so.1 -o ../../../lib/libRDKitMolAlign.so.1.2024.09.6 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so
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[ 38%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/RDDepictor.cpp.o -MF CMakeFiles/Depictor.dir/RDDepictor.cpp.o.d -o CMakeFiles/Depictor.dir/RDDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/RDDepictor.cpp
[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o
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[ 39%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/FilterCatalogRunner.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalogRunner.cpp
[ 39%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/FilterMatchers.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterMatchers.cpp
[ 39%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen/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 -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCoordGen_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -MF CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o.d -o CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/CoordGen/Wrap/rdCoordGen.cpp
[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp
[ 40%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so
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[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o
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[ 40%] Linking CXX executable testSLNParse
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[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o
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[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o
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[ 40%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o
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[ 40%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o
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[ 40%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o
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[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MMFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp
[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o
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[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Depictor/Templates.cpp
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/build/reproducible-path/rdkit-202409.6/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-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp:419:68: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
419 | MMFF::Utils::calcStbnForceConstants(&mmffStbnParams);
| ^
[ 40%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 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.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 40%] Built target Fingerprints
make -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/depend
make -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 40%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o
[ 40%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/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 -DrdFingerprintGenerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -MF CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o.d -o CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/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 -DrdMHFPFingerprint_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -MF CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o.d -o CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp
[ 40%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdAbbreviations.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdAbbreviations.so CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o ../../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 40%] Built target rdAbbreviations
[ 40%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 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.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 40%] 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-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 41%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp
[ 41%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp
[ 41%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 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.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1 ../../../lib/libRDKitForceFieldHelpers.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 41%] Built target ForceFieldHelpers
make -f Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build.make Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/depend
make -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/depend
make -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/DependInfo.cmake "--color="
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/DistGeom/DistGeomUtils.cpp
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /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 -DMolInteractionFields_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERACTIONFIELDS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o -MF CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o.d -o CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/MIFDescriptors.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/BoundsMatrixBuilder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp
[ 43%] Linking CXX shared library ../../../lib/libRDKitMolInteractionFields.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInteractionFields.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolInteractionFields.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInteractionFields.so.1 -o ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../lib/libRDKitMolInteractionFields.so.1 ../../../lib/libRDKitMolInteractionFields.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 43%] Built target MolInteractionFields
make -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/CMakeFiles/testDistGeom.dir/DependInfo.cmake "--color="
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[ 43%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/DistGeom/testDistGeom.cpp
[ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so
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[ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1
[ 43%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDInchiLib.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdForceFieldHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdForceFieldHelpers.so CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDInchiLib.so.1.2024.09.6 ../../lib/libRDKitRDInchiLib.so.1 ../../lib/libRDKitRDInchiLib.so
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[ 43%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/DistGeom/Wrap/DistGeom.cpp
[ 43%] Built target rdMHFPFingerprint
make -f Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/build.make Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/depend
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[ 43%] Built target RDInchiLib
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make -f Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/build.make Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/build
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/DependInfo.cmake "--color="
[ 44%] Building CXX object Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/rdMIF.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/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 -DrdMIF_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/rdMIF.cpp.o -MF CMakeFiles/rdMIF.dir/rdMIF.cpp.o.d -o CMakeFiles/rdMIF.dir/rdMIF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/Wrap/rdMIF.cpp
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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[ 44%] Building CXX object External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/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 -Drdinchi_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o -MF CMakeFiles/rdinchi.dir/pyInchi.cpp.o.d -o CMakeFiles/rdinchi.dir/pyInchi.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/INCHI-API/Wrap/pyInchi.cpp
[ 44%] Linking CXX executable testDistGeom
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFingerprintGenerator.dir/link.txt --verbose=1
[ 44%] Built target testDistGeom
[ 44%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/DistGeomHelpers/Embedder.cpp
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdFingerprintGenerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdFingerprintGenerator.so CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 44%] Built target rdFingerprintGenerator
[ 44%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolHash/normalize.cpp
[ 44%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceField.dir/link.txt --verbose=1
[ 44%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/ForceField/rdForceField.so CMakeFiles/rdForceField.dir/ForceField.cpp.o ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 44%] Built target rdForceField
[ 44%] Linking CXX shared library ../../../lib/libRDKitMolHash.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1
[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDepictor.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 CMakeFiles/MolHash.dir/hashfunctions.cpp.o CMakeFiles/MolHash.dir/normalize.cpp.o ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so
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[ 44%] Built target MolHash
make -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/DependInfo.cmake "--color="
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make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 44%] Building CXX object Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o
[ 44%] Built target rdDepictor
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/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 -DrdMolHash_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -MF CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o.d -o CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp
[ 44%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeom.dir/link.txt --verbose=1
[ 45%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdinchi.dir/link.txt --verbose=1
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdMolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMolHash.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o ../../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 46%] Built target rdMolHash
[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/SDMolSupplier.cpp
[ 46%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/DistGeomHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDistGeomHelpers.so.1 -o ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1 ../../../lib/libRDKitDistGeomHelpers.so
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[ 46%] Built target DistGeomHelpers
[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SDWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SDWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SDWriter.cpp
[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdMIF.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMIF.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdMIF.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMIF.so CMakeFiles/rdMIF.dir/rdMIF.cpp.o ../../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.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-202409.6/obj-aarch64-linux-gnu'
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[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp
[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/SmilesWriter.cpp
[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/TDTMolSupplier.cpp
[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 46%] Built target rdfiltercatalog
[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/TDTWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TDTWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/TDTWriter.cpp
[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/TplFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/TplFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/TplFileParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/TplFileParser.cpp
[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/TplFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/TplFileWriter.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/PDBParser.cpp.o -MF CMakeFiles/FileParsers.dir/PDBParser.cpp.o.d -o CMakeFiles/FileParsers.dir/PDBParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/PDBParser.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/PDBWriter.cpp.o -MF CMakeFiles/FileParsers.dir/PDBWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/PDBWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/PDBWriter.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/CMLWriter.cpp.o -MF CMakeFiles/FileParsers.dir/CMLWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/CMLWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/CMLWriter.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MaeMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MaeMolSupplier.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/PNGParser.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MultithreadedMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedMolSupplier.cpp
[ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.cpp
[ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp
[ 48%] Linking CXX shared library ../../../lib/libRDKitFileParsers.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 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.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1 ../../../lib/libRDKitFileParsers.so
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 51%] Building CXX object Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/test-valgrind.dir/test-valgrind.cpp.o -MF CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o.d -o CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/test-valgrind.cpp
[ 51%] Linking CXX executable resMolSupplierTest
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/resMolSupplierTest.dir/link.txt --verbose=1
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cd /build/reproducible-path/rdkit-202409.6/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 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/resMolSupplierTest.dir/link.d CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -o resMolSupplierTest ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/DependInfo.cmake "--color="
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[ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/catch_graphmol.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/graphmoltestPicklerGlobalSetting.dir/link.d CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -o graphmoltestPicklerGlobalSetting ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -MF CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o.d -o CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_organometallics.cpp
[ 51%] Linking CXX executable testCoordGen
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoordGen.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testCoordGen.dir/link.d CMakeFiles/testCoordGen.dir/test.cpp.o -o testCoordGen /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -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 /usr/lib/aarch64-linux-gnu/libmaeparser.so
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make -f Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o.d -o CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_sgroups.cpp
[ 51%] Linking CXX executable hanoiTest
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/hanoiTest.dir/link.txt --verbose=1
[ 51%] Linking CXX executable testUFFForceField
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceField.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/hanoiTest.dir/link.d CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -o hanoiTest ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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make -f Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/depend
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/smiTest1.dir/test.cpp.o -MF CMakeFiles/smiTest1.dir/test.cpp.o.d -o CMakeFiles/smiTest1.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/test.cpp
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[ 53%] Linking CXX executable molopsTestsCatch
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 CMakeFiles/testDepictor.dir/testDepictor.cpp.o.d -o CMakeFiles/testDepictor.dir/testDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/testDepictor.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/graphmoltestPickler.dir/link.d CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -o graphmoltestPickler ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Depictor/catch_tests.cpp
[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ChemReactions/MDLParser.cpp
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/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-202409.6/Code/GraphMol/FileParsers/test1.cpp
[ 53%] Linking CXX executable canonTestsCatch
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[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testAtropisomers.dir/testAtropisomers.cpp.o -MF CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o.d -o CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testAtropisomers.cpp
[ 53%] Built target pickleTestsCatch
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[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/testSquiggleDoubleBonds.cpp
[ 53%] Linking CXX executable nontetrahedralCatch
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 53%] 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-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/testMolSupplier.cpp
[ 53%] Linking CXX executable testSquiggleDoubleBonds
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 53%] Built target testSquiggleDoubleBonds
make -f Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/testGeneralFileReader.cpp
[ 53%] Linking CXX executable testAtropisomers
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAtropisomers.dir/link.txt --verbose=1
[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/DaylightParser.cpp.o -MF CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/DaylightParser.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testAtropisomers.dir/link.d CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -o testAtropisomers ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 53%] 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-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/testMultithreadedMolSupplier.cpp
[ 54%] Linking CXX executable testDepictor
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 54%] Built target testDepictor
make -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/testMolWriter.cpp
[ 54%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ChemReactions/ReactionPickler.cpp
[ 55%] Linking CXX executable testGeneralFileReader
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -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
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/DependInfo.cmake "--color="
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[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/testTpls.cpp
[ 55%] Linking CXX executable testMultithreadedMolSupplier
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testMultithreadedMolSupplier.dir/link.d CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -o testMultithreadedMolSupplier ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -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
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/DependInfo.cmake "--color="
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[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/testMol2ToMol.cpp
[ 55%] Linking CXX executable graphmolTestsCatch
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -o graphmolTestsCatch ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/DependInfo.cmake "--color="
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[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/testSequence.cpp
[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ChemReactions/ReactionWriter.cpp
[ 55%] Linking CXX executable testMol2ToMol
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 55%] Built target testMol2ToMol
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-202409.6/obj-aarch64-linux-gnu'
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/testExtendedStereoParsing.cpp
[ 55%] Linking CXX executable testTplParser
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testTplParser.dir/link.d CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/DependInfo.cmake "--color="
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/file_parsers_catch.cpp
[ 55%] Linking CXX executable testExtendedStereoParsing
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testExtendedStereoParsing.dir/link.d CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -o testExtendedStereoParsing ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/testPropertyLists.cpp
[ 55%] Linking CXX executable testMolSupplier
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testMolSupplier.dir/link.d CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -o testMolSupplier ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -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
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[ 55%] Built target testMolSupplier
make -f Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/DependInfo.cmake "--color="
[ 55%] Built target testSequence
make -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/DependInfo.cmake "--color="
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make -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build
[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/XYZFileParserCatchTest.cpp
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 55%] Linking CXX executable smiTest1
[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testMolWriter.dir/link.d CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -o testMolWriter ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 55%] Built target smiTestCatch
make -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/depend
[ 55%] Built target testMolWriter
make -f Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/v2_file_parsers_catch.cpp
[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FileParsers/multithreaded_supplier_catch.cpp
[ 55%] Linking CXX executable XYZFileParserCatchTest
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 55%] Built target XYZFileParserCatchTest
make -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 55%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Substruct/test1.cpp
[ 55%] Linking CXX executable connectTheDotsTest
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 55%] Built target connectTheDotsTest
make -f Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 55%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/substructTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/catch_tests.cpp
[ 55%] Linking CXX executable v2MolSuppliers
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/v2MolSuppliers.dir/link.d CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -o v2MolSuppliers ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 55%] Built target v2MolSuppliers
make -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/DependInfo.cmake "--color="
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make -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build
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[ 55%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -MF CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o.d -o CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/testChemTransforms.cpp
[ 55%] Linking CXX executable cdxmlParserCatchTest
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlParserCatchTest.dir/link.txt --verbose=1
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/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-202409.6/Code/GraphMol/ChemTransforms/catch_tests.cpp
[ 56%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FilterCatalog/filtercatalogtest.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molfileStereoCatchTest.dir/link.d CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -o molfileStereoCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o -MF CMakeFiles/testFragCatalog.dir/test1.cpp.o.d -o CMakeFiles/testFragCatalog.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/test1.cpp
[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o
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[ 57%] Linking CXX executable multithreadedSupplierCatchTest
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testFingerprints.dir/test1.cpp.o -MF CMakeFiles/testFingerprints.dir/test1.cpp.o.d -o CMakeFiles/testFingerprints.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/test1.cpp
[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o
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[ 57%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -MF CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o.d -o CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/testMHFPFingerprint.cpp
[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o
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[ 57%] Linking CXX executable filterCatalogTest
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1
[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/BCUT.cpp.o -MF CMakeFiles/Descriptors.dir/BCUT.cpp.o.d -o CMakeFiles/Descriptors.dir/BCUT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/filterCatalogTest.dir/link.d CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -o filterCatalogTest ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/DependInfo.cmake "--color="
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[ 57%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp
[ 57%] Linking CXX executable substructTestCatch
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructTestCatch.dir/link.txt --verbose=1
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[ 57%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/fpTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/catch_tests.cpp
[ 57%] Linking CXX executable testMHFPFingerprint
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMHFPFingerprint.dir/link.txt --verbose=1
[ 57%] Linking CXX executable testSubstructMatch
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testMHFPFingerprint.dir/link.d CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -o testMHFPFingerprint ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/DependInfo.cmake "--color="
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[ 58%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -MF CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o.d -o CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/fpgen_catch_tests.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testSubstructMatch.dir/link.d CMakeFiles/testSubstructMatch.dir/test1.cpp.o -o testSubstructMatch ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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make -f Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/depend
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 58%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o -MF CMakeFiles/testMolTransforms.dir/test1.cpp.o.d -o CMakeFiles/testMolTransforms.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/test1.cpp
[ 58%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/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 -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/FragCatParams.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp: In function 'std::pair<double, double> RDKit::Descriptors::{anonymous}::BCUT2D(std::unique_ptr<Eigen::Matrix<double, -1, -1> >&, const std::vector<double>&)':
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp:70:71: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
70 | const std::vector<double> &atom_props) {
| ^
[ 58%] Linking CXX executable fileParsersTest1
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1
[ 58%] Linking CXX executable testChemTransforms
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/fileParsersTest1.dir/link.d CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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make -f Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/depend
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/DependInfo.cmake "--color="
[ 58%] Built target testChemTransforms
make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/DependInfo.cmake "--color="
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ForceFieldHelpers/catch_tests.cpp
[ 58%] Linking CXX executable chemTransformsTestCatch
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemTransformsTestCatch.dir/link.txt --verbose=1
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make -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp
[ 58%] Linking CXX executable testMolTransforms
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testMolTransforms.dir/link.d CMakeFiles/testMolTransforms.dir/test1.cpp.o -o testMolTransforms ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
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[ 58%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp
[ 58%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/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 -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/FragCatGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp
[ 58%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/PreprocessRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PreprocessRxn.cpp
[ 58%] Linking CXX executable molTransformsTestCatch
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTransformsTestCatch.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molTransformsTestCatch.dir/link.d CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -o molTransformsTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 58%] Built target molTransformsTestCatch
make -f Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 58%] Building CXX object Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp
[ 58%] Linking CXX executable forceFieldHelpersCatch
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o -o forceFieldHelpersCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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make -f Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/build.make Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/depend
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[ 58%] Building CXX object Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/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-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp
[ 58%] Linking CXX executable fileParsersCatchTest
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersCatchTest.dir/link.txt --verbose=1
[ 58%] Linking CXX executable fpGenTestCatch
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpGenTestCatch.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/fileParsersCatchTest.dir/link.d CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -o fileParsersCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/DependInfo.cmake "--color="
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make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build
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[ 58%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -MF CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o.d -o CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp
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[ 59%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/DistGeomHelpers/catch_tests.cpp
[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Descriptors/MolDescriptors.cpp
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1
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[ 59%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolAlign/testMolAlign.cpp
[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ChemReactions/SanitizeRxn.cpp
[ 59%] Linking CXX executable testFingerprintGenerators
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testFingerprintGenerators.dir/link.d CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -o testFingerprintGenerators ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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make -f Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/DependInfo.cmake "--color="
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[ 59%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molAlignCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/catch_tests.cpp
[ 59%] Linking CXX executable testCrystalForceField
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCrystalForceField.dir/link.txt --verbose=1
[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Descriptors/MolSurf.cpp
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make -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/DependInfo.cmake "--color="
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[ 60%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o -MF CMakeFiles/testFeatures.dir/testFeatures.cpp.o.d -o CMakeFiles/testFeatures.dir/testFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp
[ 60%] Linking CXX executable testMMFFForceFieldHelpers
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -o testMMFFForceFieldHelpers ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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make -f Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/depend
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[ 60%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp
[ 60%] Linking CXX executable testFingerprints
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprints.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testFingerprints.dir/link.d CMakeFiles/testFingerprints.dir/test1.cpp.o -o testFingerprints ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 60%] Built target testFingerprints
make -f Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 60%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolCatalog/test1.cpp
[ 60%] Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfragcatalog.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdfragcatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdfragcatalog.so CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o ../../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 60%] Built target rdfragcatalog
make -f Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/depend
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 60%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FMCS/FMCS.cpp
[ 60%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ChemReactions/PNGParser.cpp
[ 60%] Linking CXX executable molAlignCatchTest
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1
[ 60%] Linking CXX executable testShapeHelpers
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testShapeHelpers.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molAlignCatchTest.dir/link.d CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -o molAlignCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 60%] Built target molAlignCatchTest
make -f Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/build.make Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/depend
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testShapeHelpers.dir/link.d CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -o testShapeHelpers ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/DependInfo.cmake "--color="
[ 60%] Built target testShapeHelpers
make -f Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/DependInfo.cmake "--color="
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make -f Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build
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[ 60%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/catch_tests.cpp
[ 60%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /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 -DMMPA_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MMPA_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o -MF CMakeFiles/MMPA.dir/MMPA.cpp.o.d -o CMakeFiles/MMPA.dir/MMPA.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/MMPA.cpp
[ 60%] Linking CXX executable testMolAlign
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 60%] Built target testMolAlign
[ 60%] Linking CXX executable testUFFForceFieldHelpers
make -f Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/depend
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[ 61%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/DependInfo.cmake "--color="
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolInteractionFields/CMakeFiles/testMIF.dir/testMIF.cpp.o -MF CMakeFiles/testMIF.dir/testMIF.cpp.o.d -o CMakeFiles/testMIF.dir/testMIF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/testMIF.cpp
[ 61%] Linking CXX shared library ../../../lib/libRDKitMMPA.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/MMPA.dir/link.txt --verbose=1
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so
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[ 61%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/MMPA_UnitTest.cpp
[ 62%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MaximumCommonSubgraph.cpp.o -MF CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o.d -o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp
[ 63%] Linking CXX executable molHashCatchTest
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molHashCatchTest.dir/link.d CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -o molHashCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/DependInfo.cmake "--color="
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[ 63%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/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 -DrdMMPA_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -MF CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o.d -o CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp
[ 63%] Linking CXX executable molInterchangeTest1
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeTest1.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molInterchangeTest1.dir/link.d CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -o molInterchangeTest1 ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 63%] Built target molInterchangeTest1
[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o
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[ 63%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/EnumerationPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.cpp
[ 63%] Linking CXX executable molInterchangeCatchTest
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molInterchangeCatchTest.dir/link.d CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -o molInterchangeCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 63%] Built target molInterchangeCatchTest
[ 63%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp
[ 63%] Linking CXX executable testMolProcessing
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolProcessing.dir/link.txt --verbose=1
[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Data3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Data3Ddescriptors.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testMolProcessing.dir/link.d CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -o testMolProcessing ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 63%] Built target testMolProcessing
[ 63%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /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_SYNTHONSPACESEARCH_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 -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp
[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolData3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolData3Ddescriptors.cpp
[ 63%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMMPA.dir/link.txt --verbose=1
[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/USRDescriptor.cpp.o -MF CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o.d -o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/USRDescriptor.cpp
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/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.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 63%] Built target rdMMPA
[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/AtomFeat.cpp.o -MF CMakeFiles/Descriptors.dir/AtomFeat.cpp.o.d -o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AtomFeat.cpp
[ 64%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /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_SYNTHONSPACESEARCH_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 -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp
[ 64%] Linking CXX executable testMIF
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMIF.dir/link.txt --verbose=1
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make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/OxidationNumbers.cpp.o -MF CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o.d -o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/OxidationNumbers.cpp
[ 64%] Built target testMIF
[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DCLV.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/DCLV.cpp.o -MF CMakeFiles/Descriptors.dir/DCLV.cpp.o.d -o CMakeFiles/Descriptors.dir/DCLV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/DCLV.cpp
[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/EEM.cpp.o -MF CMakeFiles/Descriptors.dir/EEM.cpp.o.d -o CMakeFiles/Descriptors.dir/EEM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/EEM.cpp
[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /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_RASCALMCES_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 -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalButinaCluster.cpp
[ 65%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SubstructMatchCustom.cpp.o -MF CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o.d -o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SubstructMatchCustom.cpp
[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /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_RASCALMCES_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 -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -MF CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o.d -o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/lap_a_la_scipy.cpp
[ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/PBF.cpp.o -MF CMakeFiles/Descriptors.dir/PBF.cpp.o.d -o CMakeFiles/Descriptors.dir/PBF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/PBF.cpp
[ 65%] Linking CXX shared module ../../../../rdkit/Chem/rdMolProcessing.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolProcessing.dir/link.txt --verbose=1
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[ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o
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[ 66%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /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 -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinDefs.cpp
[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolStandardize.cpp.o -MF CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o.d -o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/MolStandardize.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
[ 67%] Linking CXX shared library ../../../lib/libRDKitSynthonSpaceSearch.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 ../../../lib/libRDKitSynthonSpaceSearch.so.1 ../../../lib/libRDKitSynthonSpaceSearch.so
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/FMCS/testFMCS_Unit.cpp
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/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 -DrdFMCS_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -MF CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o.d -o CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp
[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolStandardize/Metal.cpp
[ 67%] Linking CXX shared library ../../../lib/libRDKitRascalMCES.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 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.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../lib/libRDKitRascalMCES.so.1 ../../../lib/libRDKitRascalMCES.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 67%] Built target RascalMCES
make -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 67%] Building CXX object Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o -MF CMakeFiles/FMCStest.dir/testFMCS.cpp.o.d -o CMakeFiles/FMCStest.dir/testFMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test/testFMCS.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-202409.6/Code/RDGeneral/Dict.h:19,
from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryOps.h:16,
from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:16:
/usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair<typename std::__strip_reference_wrapper<typename std::decay<_Tp>::type>::__type, typename std::__strip_reference_wrapper<typename std::decay<_Tp2>::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper<typename decay<_Tp>::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper<typename decay<_Tp2>::type>::__type = double; typename decay<_Tp2>::type = double]':
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:768:42: required from here
768 | 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<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
1132 | make_pair(_T1&& __x, _T2&& __y)
| ^~~~~~~~~
[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Normalize.cpp.o -MF CMakeFiles/MolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/MolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Normalize.cpp
[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Validate.cpp.o -MF CMakeFiles/MolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/MolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Validate.cpp
[ 68%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolStandardize/Charge.cpp
make -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/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-202409.6/Code/GraphMol/RascalMCES/mces_catch.cpp
[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolDraw2DSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp
[ 69%] Linking CXX executable FMCStest
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCStest.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/FMCStest.dir/link.d CMakeFiles/FMCStest.dir/testFMCS.cpp.o -o FMCStest ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 69%] Built target FMCStest
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp
[ 69%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 69%] Built target MarvinParser
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-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 69%] Building CXX object Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/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 -DrdRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -MF CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o.d -o CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 CMakeFiles/Descriptors.dir/Crippen.cpp.o CMakeFiles/Descriptors.dir/BCUT.cpp.o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o CMakeFiles/Descriptors.dir/MolSurf.cpp.o CMakeFiles/Descriptors.dir/Lipinski.cpp.o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o CMakeFiles/Descriptors.dir/MQN.cpp.o CMakeFiles/Descriptors.dir/Property.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o CMakeFiles/Descriptors.dir/DCLV.cpp.o CMakeFiles/Descriptors.dir/EEM.cpp.o CMakeFiles/Descriptors.dir/PBF.cpp.o CMakeFiles/Descriptors.dir/PMI.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o CMakeFiles/Descriptors.dir/RDF.cpp.o CMakeFiles/Descriptors.dir/MORSE.cpp.o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o CMakeFiles/Descriptors.dir/WHIM.cpp.o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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make -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 70%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.cpp
[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolStandardize/Tautomer.cpp
[ 70%] Linking CXX executable testRascalCluster
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1
[ 71%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFMCS.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
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make -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/depend
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[ 72%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdchem.cpp.o -MF CMakeFiles/rdchem.dir/rdchem.cpp.o.d -o CMakeFiles/rdchem.dir/rdchem.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdchem.cpp
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[ 72%] Linking CXX executable testRascalMCES
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make -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/DependInfo.cmake "--color="
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[ 72%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Wrap/rdmolops.cpp
[ 72%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRascalMCES.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdRascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdRascalMCES.so CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o ../../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 72%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Wrap/rdmolfiles.cpp
[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o
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[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.cpp
[ 72%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1
[ 72%] Linking CXX shared module ../../../../rdkit/Chem/rdSynthonSpaceSearch.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -MF CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o.d -o CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/testMrvToMol.cpp
[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o
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[ 74%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o
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[ 74%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o
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[ 74%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o
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[ 76%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/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 -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -MF CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o.d -o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp
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[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testDescriptors.dir/test.cpp.o -MF CMakeFiles/testDescriptors.dir/test.cpp.o.d -o CMakeFiles/testDescriptors.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/test.cpp
[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/DrawAnnotation.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawAnnotation.cpp
[ 76%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/RepeatUnit.cpp.o -MF CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o.d -o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/RepeatUnit.cpp
[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/TautomerCatalog/TautomerCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp
[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Digraph.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Digraph.cpp
[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/TautomerCatalog/TautomerCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.cpp
[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o
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[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so
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[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o
[ 76%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testATF.dir/testATF.cpp.o -MF CMakeFiles/testATF.dir/testATF.cpp.o.d -o CMakeFiles/testATF.dir/testATF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testATF.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Configuration.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 CMakeFiles/MolStandardize.dir/Pipeline.cpp.o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o CMakeFiles/MolStandardize.dir/Metal.cpp.o CMakeFiles/MolStandardize.dir/Normalize.cpp.o CMakeFiles/MolStandardize.dir/Validate.cpp.o CMakeFiles/MolStandardize.dir/Charge.cpp.o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o CMakeFiles/MolStandardize.dir/Fragment.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so
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[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testBCUT.dir/testBCUT.cpp.o -MF CMakeFiles/testBCUT.dir/testBCUT.cpp.o.d -o CMakeFiles/testBCUT.dir/testBCUT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testBCUT.cpp
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-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:32:
In copy constructor 'boost::shared_ptr<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]',
inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25:
/usr/include/boost/smart_ptr/shared_ptr.hpp:459:66: warning: '*(const boost::shared_ptr<RDKit::ROMol>*)((char*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::storage)).boost::shared_ptr<RDKit::ROMol>::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-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]':
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
55 | RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(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<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]' at /usr/include/boost/smart_ptr/shared_ptr.hpp:459:72,
inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]' at /build/reproducible-path/rdkit-202409.6/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*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::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-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]':
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
55 | RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In copy constructor 'boost::shared_ptr<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]',
inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25:
/usr/include/boost/smart_ptr/shared_ptr.hpp:459:66: warning: '*(const boost::shared_ptr<RDKit::ROMol>*)((char*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::storage)).boost::shared_ptr<RDKit::ROMol>::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-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]':
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
55 | RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In copy constructor 'boost::detail::shared_count::shared_count(const boost::detail::shared_count&)',
inlined from 'boost::shared_ptr<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]' at /usr/include/boost/smart_ptr/shared_ptr.hpp:459:72,
inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]' at /build/reproducible-path/rdkit-202409.6/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*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::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-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]':
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
55 | RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 76%] Linking CXX executable testATF
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testEEM.dir/testEEM.cpp.o -MF CMakeFiles/testEEM.dir/testEEM.cpp.o.d -o CMakeFiles/testEEM.dir/testEEM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testEEM.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testRDFcustom.dir/testRDFcustom.cpp.o -MF CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o.d -o CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testRDFcustom.cpp
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[ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o
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[ 83%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemReactions.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdChemReactions.so CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o ../../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 83%] Built target rdChemReactions
make -f Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 83%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testCoulombMat.dir/testCoulombMat.cpp.o -MF CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o.d -o CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testCoulombMat.cpp
[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MaeWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeWriter.cpp
[ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rules/Rule1b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
[ 84%] Linking CXX executable test3D
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3D.dir/link.txt --verbose=1
In file included from /usr/include/c++/14/vector:62,
from /build/reproducible-path/rdkit-202409.6/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<int*, vector<int> >; _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<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:651:7,
inlined from 'static _ForwardIterator std::__uninitialized_copy<true>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _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<int*, vector<int> >; _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<int*, vector<int> >; _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<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' 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<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/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<std::allocator<_Tp1> >::allocate(allocator_type&, size_type) [with _Tp = int]' at /usr/include/c++/14/bits/alloc_traits.h:515:28,
inlined from 'std::_Vector_base<_Tp, _Alloc>::pointer std::_Vector_base<_Tp, _Alloc>::_M_allocate(std::size_t) [with _Tp = int; _Alloc = std::allocator<int>]' 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<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' 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<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/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)));
| ^
[ 84%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/test3D.dir/link.d CMakeFiles/test3D.dir/test3D.cpp.o -o test3D ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 84%] Built target test3D
make -f Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 84%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/descriptorsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/catch_tests.cpp
[ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /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_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 -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Deprotect/deprotectTest.cpp
[ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rules/Rule3.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
[ 84%] Linking CXX executable testAUTOCORR3D
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR3D.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testAUTOCORR3D.dir/link.d CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -o testAUTOCORR3D ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 84%] Built target testAUTOCORR3D
make -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/depend
[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 85%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp
[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rules/Rule4a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4a.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-202409.6/Code/GraphMol/MolDraw2D/DrawText.h:19,
from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.cpp:13:
/usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair<typename std::__strip_reference_wrapper<typename std::decay<_Tp>::type>::__type, typename std::__strip_reference_wrapper<typename std::decay<_Tp2>::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper<typename decay<_Tp>::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper<typename decay<_Tp2>::type>::__type = double; typename decay<_Tp2>::type = double]':
/build/reproducible-path/rdkit-202409.6/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<double, double>' 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 testCoulombMat
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoulombMat.dir/link.txt --verbose=1
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp: In function 'std::pair<double, double> {anonymous}::{anonymous}::BCUT2D_list(const RDKit::ROMol&, boost::python::list)':
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:444:61: note: parameter passing for argument of type 'std::pair<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
444 | python::list atomprops) {
| ^
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testCoulombMat.dir/link.d CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -o testCoulombMat ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 85%] Built target testCoulombMat
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-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 85%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molStandardizeTest.dir/test1.cpp.o -MF CMakeFiles/molStandardizeTest.dir/test1.cpp.o.d -o CMakeFiles/molStandardizeTest.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test1.cpp
[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rules/Rule4b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDMolSupplier.cpp
[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp
[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolDraw2D/DrawTextJS.cpp
[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MolDraw2DCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp
[ 85%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/DeprotectWrap.cpp.o -MF CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o.d -o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp
[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o
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[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o
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[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Wrap/RingInfo.cpp
[ 85%] Linking CXX executable descriptorsTestCatch
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[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o
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[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/O3AAlign.dir/link.txt --verbose=1
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/DrawTextFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFT.cpp
[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp
[ 87%] Linking CXX executable molStandardizeTest
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 87%] Built target molStandardizeTest
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolStandardize/testTautomer.cpp
[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/TDTMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTMolSupplier.cpp
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[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolStandardize/testFragment.cpp
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/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-202409.6/Code/GraphMol/MolStandardize/catch_tests.cpp
[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/DrawTextFTJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTJS.cpp
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[ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molStandardizePipelineTest.dir/testPipeline.cpp.o -MF CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o.d -o CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testPipeline.cpp
[ 88%] Linking CXX executable molChargeTest
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molChargeTest.dir/link.d CMakeFiles/molChargeTest.dir/testCharge.cpp.o -o molChargeTest ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 88%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdMolStandardize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp
[ 88%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolStandardize/Wrap/Validate.cpp
[ 88%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolDraw2D.dir/link.txt --verbose=1
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so
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[ 88%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /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_SCAFFOLDNETWORK_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 -DScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.cpp
[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Wrap/SmilesMolSupplier.cpp
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[ 88%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolEnumerator/enumerator_catch.cpp
[ 88%] Linking CXX executable molFragmentTest
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molFragmentTest.dir/link.txt --verbose=1
[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Wrap/MolBundle.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molFragmentTest.dir/link.d CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -o molFragmentTest ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 88%] Built target molFragmentTest
make -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 88%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/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 -DrdMolEnumerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp
[ 88%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdMolDescriptors.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMolDescriptors.so CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o ../../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 88%] Built target rdMolDescriptors
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-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/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-202409.6/obj-aarch64-linux-gnu'
[ 89%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/TautomerQuery/TautomerQuery.cpp
[ 89%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/ScaffoldNetwork.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 ../../../lib/libRDKitScaffoldNetwork.so.1 ../../../lib/libRDKitScaffoldNetwork.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 89%] Built target ScaffoldNetwork
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-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 89%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolAlign/testO3AAlign.cpp
[ 89%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Charge.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Charge.cpp
[ 89%] Linking CXX executable molTautomerTest
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTautomerTest.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 89%] Built target molTautomerTest
make -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build
[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SmilesWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesWriter.cpp
[ 89%] Building CXX object Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp
[ 90%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Fragment.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Fragment.cpp
[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Wrap/StereoGroup.cpp
[ 91%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolEnumerator.dir/link.txt --verbose=1
[ 92%] Linking CXX executable molStandardizePipelineTest
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizePipelineTest.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdMolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMolEnumerator.so CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 92%] Built target rdMolEnumerator
make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/DependInfo.cmake "--color="
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-202409.6/Code/RDGeneral/Invariant.h:17,
from /build/reproducible-path/rdkit-202409.6/Code/Numerics/Matrix.h:14,
from /build/reproducible-path/rdkit-202409.6/Code/Numerics/SquareMatrix.h:14,
from /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform3D.h:16,
from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/AlignMolecules.h:14,
from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/testO3AAlign.cpp:11:
/usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair<typename std::__strip_reference_wrapper<typename std::decay<_Tp>::type>::__type, typename std::__strip_reference_wrapper<typename std::decay<_Tp2>::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper<typename decay<_Tp>::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper<typename decay<_Tp2>::type>::__type = double; typename decay<_Tp2>::type = double]':
/build/reproducible-path/rdkit-202409.6/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<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
1132 | make_pair(_T1&& __x, _T2&& __y)
| ^~~~~~~~~
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/moldraw2DTest1.dir/test1.cpp.o -MF CMakeFiles/moldraw2DTest1.dir/test1.cpp.o.d -o CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molStandardizePipelineTest.dir/link.d CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -o molStandardizePipelineTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 92%] Built target molStandardizePipelineTest
make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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cd /build/reproducible-path/rdkit-202409.6/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 -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/MolDraw2D/catch_tests.cpp
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cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SubstanceGroup.cpp.o -MF CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SubstanceGroup.cpp
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so
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cd /build/reproducible-path/rdkit-202409.6/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 -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -MF CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o.d -o CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/rxn_test1.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/molStandardizeCatchTest.dir/link.d CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -o molStandardizeCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 92%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/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_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 -DrdMolDraw2D_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -MF CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o.d -o CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
[ 92%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Normalize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Normalize.cpp
[ 92%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Metal.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Metal.cpp
[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SDWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDWriter.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-202409.6/Code/RDGeneral/types.h:21,
from /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/utils.h:15,
from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp:12:
/usr/include/c++/14/bits/stl_pair.h: In instantiation of 'constexpr std::pair<typename std::__strip_reference_wrapper<typename std::decay<_Tp>::type>::__type, typename std::__strip_reference_wrapper<typename std::decay<_Tp2>::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper<typename decay<_Tp>::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper<typename decay<_Tp2>::type>::__type = double; typename decay<_Tp2>::type = double]':
/build/reproducible-path/rdkit-202409.6/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<double, double>' when C++17 is enabled changed to match C++14 in GCC 10.1
1132 | make_pair(_T1&& __x, _T2&& __y)
| ^~~~~~~~~
[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Chirality.cpp.o -MF CMakeFiles/rdchem.dir/Chirality.cpp.o.d -o CMakeFiles/rdchem.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Chirality.cpp
[ 92%] Linking CXX executable testO3AAlign
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testO3AAlign.dir/link.txt --verbose=1
[ 93%] Linking CXX executable testMolEnumerator
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolEnumerator.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testO3AAlign.dir/link.d CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -o testO3AAlign ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
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make -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 93%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /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 -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/XQMol.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testMolEnumerator.dir/link.d CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -o testMolEnumerator ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 93%] Built target testMolEnumerator
make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/depend
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /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_RGROUPDECOMPOSITION_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 -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp
[ 93%] Linking CXX executable moldraw2DRxnTest1
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DRxnTest1.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/moldraw2DRxnTest1.dir/link.d CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -o moldraw2DRxnTest1 ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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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-202409.6/obj-aarch64-linux-gnu'
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 93%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp
[ 93%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdMolAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMolAlign.so CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o ../../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 93%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o
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[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o
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[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o
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[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o
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[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MultithreadedSmilesMolSupplier.cpp
[ 93%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1 ../../../lib/libRDKitGeneralizedSubstruct.so
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[ 93%] Built target GeneralizedSubstruct
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make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 93%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/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 -DrdTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -MF CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o.d -o CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap/rdTautomerQuery.cpp
[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o
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[ 94%] Linking CXX executable testScaffoldNetwork
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testScaffoldNetwork.dir/link.d CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -o testScaffoldNetwork ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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make -f Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/depend
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/DependInfo.cmake "--color="
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[ 94%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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 -DRDKIT_SUBSTRUCTLIBRARY_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 -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -MF CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp
[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o
cd /build/reproducible-path/rdkit-202409.6/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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp
[ 96%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdScaffoldNetwork.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdScaffoldNetwork.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o ../../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 96%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp
In file included from /usr/include/boost/python/override.hpp:13,
from /usr/include/boost/python/wrapper.hpp:8,
from /usr/include/boost/python/object/value_holder.hpp:15,
from /usr/include/boost/python/object/class_metadata.hpp:14,
from /usr/include/boost/python/class.hpp:23,
from /usr/include/boost/python/suite/indexing/indexing_suite.hpp:9,
from /usr/include/boost/python/suite/indexing/map_indexing_suite.hpp:9,
from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp:11:
In member function 'boost::python::converter::extract_rvalue<T>::result_type boost::python::converter::extract_rvalue<T>::operator()() const [with T = long int]',
inlined from 'boost::python::extract<T>::operator result_type() const [with T = long int]' at /usr/include/boost/python/extract.hpp:136:23,
inlined from 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]' at /usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:617:27:
/usr/include/boost/python/extract.hpp:185:11: warning: '*(long int*)((char*)&<unnamed> + offsetof(boost::python::extract<long int>,boost::python::extract<long int>::<unnamed>.boost::python::converter::extract_rvalue<long int>::m_data.boost::python::converter::rvalue_from_python_data<long int>::<unnamed>.boost::python::converter::rvalue_from_python_storage<long int>::storage))' may be used uninitialized [-Wmaybe-uninitialized]
185 | );
| ^
In file included from /usr/include/boost/python/suite/indexing/indexing_suite.hpp:12:
/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp: In static member function 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]':
/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:617:27: note: '<anonymous>' declared here
617 | long to = extract<long>( slice->stop);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~
In member function 'boost::python::converter::extract_rvalue<T>::result_type boost::python::converter::extract_rvalue<T>::operator()() const [with T = long int]',
inlined from 'boost::python::extract<T>::operator result_type() const [with T = long int]' at /usr/include/boost/python/extract.hpp:136:23,
inlined from 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]' at /usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:603:29:
/usr/include/boost/python/extract.hpp:185:11: warning: '*(long int*)((char*)&<unnamed> + offsetof(boost::python::extract<long int>,boost::python::extract<long int>::<unnamed>.boost::python::converter::extract_rvalue<long int>::m_data.boost::python::converter::rvalue_from_python_data<long int>::<unnamed>.boost::python::converter::rvalue_from_python_storage<long int>::storage))' may be used uninitialized [-Wmaybe-uninitialized]
185 | );
| ^
/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp: In static member function 'static void boost::python::detail::slice_helper<Container, DerivedPolicies, ProxyHandler, Data, Index>::base_get_slice_data(Container&, PySliceObject*, Index&, Index&) [with Container = std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>; DerivedPolicies = boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>; ProxyHandler = boost::python::detail::proxy_helper<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false>, boost::python::detail::container_element<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, long unsigned int, boost::python::detail::final_vector_derived_policies<std::vector<RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm>, false> >, long unsigned int>; Data = RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm; Index = long unsigned int]':
/usr/include/boost/python/suite/indexing/detail/indexing_suite_detail.hpp:603:29: note: '<anonymous>' declared here
603 | long from = extract<long>( slice->start);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 96%] Linking CXX executable moldraw2DTest1
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/moldraw2DTest1.dir/link.d CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -o moldraw2DTest1 ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o
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[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o
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[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/guc.c.o
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[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/low_gist.c.o
cd /build/reproducible-path/rdkit-202409.6/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=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-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/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-202409.6/Code/PgSQL/rdkit/low_gist.c
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/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp: In function 'void* makeAvalonBFP(CROMol, bool, unsigned int)':
/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1627:38: warning: unused parameter 'data' [-Wunused-parameter]
1627 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery,
| ~~~~~~~^~~~
/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1627:49: warning: unused parameter 'isQuery' [-Wunused-parameter]
1627 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery,
| ~~~~~^~~~~~~
/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1628:44: warning: unused parameter 'bitFlags' [-Wunused-parameter]
1628 | unsigned int bitFlags) {
| ~~~~~~~~~~~~~^~~~~~~~
[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_gist.c.o
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDraw2D.dir/link.txt --verbose=1
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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
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[ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o
cd /build/reproducible-path/rdkit-202409.6/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=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-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-202409.6/Code/PgSQL/rdkit/bitstring.c
[ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o
cd /build/reproducible-path/rdkit-202409.6/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=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-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/rdkit_io.c.o -MF CMakeFiles/rdkit.dir/rdkit_io.c.o.d -o CMakeFiles/rdkit.dir/rdkit_io.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/rdkit_io.c
[ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o
cd /build/reproducible-path/rdkit-202409.6/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=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-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/rxn_op.c.o -MF CMakeFiles/rdkit.dir/rxn_op.c.o.d -o CMakeFiles/rdkit.dir/rxn_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/rxn_op.c
[ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o
cd /build/reproducible-path/rdkit-202409.6/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=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-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/sfp_op.c.o -MF CMakeFiles/rdkit.dir/sfp_op.c.o.d -o CMakeFiles/rdkit.dir/sfp_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/sfp_op.c
[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /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_RGROUPDECOMPOSITION_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 -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/RGroupDecompParams.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.cpp
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cd /build/reproducible-path/rdkit-202409.6/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 -DRDKIT_SUBSTRUCTLIBRARY_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 -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -MF CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/PatternFactory.cpp
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[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /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_RGROUPDECOMPOSITION_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 -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp
[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /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_RGROUPDECOMPOSITION_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 -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/RGroupFingerprintScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp
[ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 97%] Built target rdTautomerQuery
[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /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_RGROUPDECOMPOSITION_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 -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/RGroupGa.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp
[ 97%] Linking CXX executable generalizedSubstructCatch
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 97%] Built target generalizedSubstructCatch
[ 97%] Linking CXX shared library librdkit.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkit.dir/link.txt --verbose=1
[ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdGeneralizedSubstruct.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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-202409.6/Code/PgSQL/rdkit/lib /usr/lib/aarch64-linux-gnu/libpq.so ../../../lib/libRDKitRDInchiLib.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libinchi.so ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -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
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/sql /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit/sql
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/data /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit/data
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/expected /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/PgSQL/rdkit/expected
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 97%] Built target rdkit
[ 97%] Built target rdGeneralizedSubstruct
[ 97%] Linking CXX shared library ../../../lib/libRDKitSubstructLibrary.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 ../../../lib/libRDKitSubstructLibrary.so.1 ../../../lib/libRDKitSubstructLibrary.so
make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
[ 97%] Built target SubstructLibrary
make -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/depend
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
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cd /build/reproducible-path/rdkit-202409.6/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 -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-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -MF CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o.d -o CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/substructLibraryTest.cpp
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cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/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 -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.cpp
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[ 99%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/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 -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/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-202409.6/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp
[ 99%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/RGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRGroupDecomposition.so.1 -o ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitRGroupDecomposition.so.1 ../../../lib/libRDKitRGroupDecomposition.so
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testSynthonSpaceSubstructureSearch.dir/link.d CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -o testSynthonSpaceSubstructureSearch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/gaExample.dir/link.d CMakeFiles/gaExample.dir/GaExample.cpp.o -o gaExample ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_program_options.so.1.83.0 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 99%] Built target testSynthonSpaceSubstructureSearch
[ 99%] Built target gaExample
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/testRGroupDecompInternals.dir/link.d CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -o testRGroupDecompInternals ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 99%] Built target testRGroupDecompInternals
[ 99%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so
cd /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRGroupDecomposition.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdRGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdRGroupDecomposition.so CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o ../../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitga.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 99%] Built target rdRGroupDecomposition
[ 99%] Linking CXX executable rgroupCatchTests
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 99%] Built target rgroupCatchTests
[ 99%] Linking CXX executable testRGroupDecomp
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[ 99%] Built target testRGroupDecomp
[100%] Linking CXX shared module ../../../../rdkit/Chem/rdSubstructLibrary.so
cd /build/reproducible-path/rdkit-202409.6/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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/aarch64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/aarch64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /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-202409.6/obj-aarch64-linux-gnu'
[100%] Built target rdSubstructLibrary
make[3]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
/usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/CMakeFiles 0
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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')); \
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make[2]: Entering directory '/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17'
/usr/bin/cmake -S/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit -B/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17 --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17/CMakeFiles /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17//CMakeFiles/progress.marks
make -f CMakeFiles/Makefile2 all
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cd /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17/CMakeFiles/rdkit.dir/DependInfo.cmake "--color="
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make -f CMakeFiles/rdkit.dir/build.make CMakeFiles/rdkit.dir/build
make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/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-202409.6/Code/PgSQL/rdkit/../../../Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -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-202409.6/Code/PgSQL/rdkit/adapter.cpp
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Reading and parsing tag files
Parsing files
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Abbreviations.h...
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Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AtomIterators.h...
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Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/BondIterators.h...
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Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionParser.h:171: warning: unbalanced grouping commands
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Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Reaction.h...
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Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/USRDescriptor.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/USRDescriptor.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/WHIM.h...
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Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/details.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/details.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DetermineBonds/DetermineBonds.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DetermineBonds/DetermineBonds.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Embedder.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Embedder.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/CDXMLParser.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/CDXMLParser.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/FileParsers.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/FileParsers.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/FileParserUtils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/FileParserUtils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/FileWriters.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/FileWriters.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/GeneralFileReader.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/GeneralFileReader.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MaestroProperties.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MaestroProperties.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileStereochem.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileStereochem.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupParsing.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupParsing.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupWriting.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupWriting.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSupplier.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSupplier.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSupplier.v1API.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSupplier.v1API.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolWriters.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolWriters.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/PNGParser.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/PNGParser.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/ProximityBonds.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/ProximityBonds.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SequenceParsers.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SequenceParsers.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SequenceWriters.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SequenceWriters.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalog.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalog.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterMatcherBase.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterMatcherBase.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterMatchers.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterMatchers.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Filters.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Filters.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairGenerator.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairGenerator.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairs.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairs.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintGenerator.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintGenerator.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Fingerprints.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Fingerprints.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintUtil.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintUtil.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MACCS.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MACCS.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MHFP.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MHFP.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganFingerprints.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganFingerprints.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/RDKitFPGenerator.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/RDKitFPGenerator.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Composition2N.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Composition2N.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/DebugTrace.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/DebugTrace.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/DuplicatedSeedCache.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/DuplicatedSeedCache.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/FMCS.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/FMCS.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Graph.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Graph.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/MatchTable.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/MatchTable.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/MaximumCommonSubgraph.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/MaximumCommonSubgraph.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Seed.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Seed.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SeedSet.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SeedSet.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SubstructMatchCustom.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SubstructMatchCustom.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SubstructureCache.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SubstructureCache.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Target.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Target.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/TargetMatch.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/TargetMatch.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/FFConvenience.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/FFConvenience.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogEntry.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogEntry.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogUtils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogUtils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatGenerator.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatGenerator.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatParams.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatParams.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragFPGenerator.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragFPGenerator.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/XQMol.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/XQMol.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups/GenericGroups.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups/GenericGroups.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GraphMol.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GraphMol.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinDefs.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinDefs.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinParser.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinParser.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/MMPA.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/MMPA.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/AlignMolecules.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/AlignMolecules.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/O3AAlignMolecules.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/O3AAlignMolecules.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolBundle.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolBundle.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalog.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalog.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogEntry.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogEntry.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogParams.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogParams.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/FeatureParser.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/FeatureParser.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/AtomSymbol.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/AtomSymbol.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawAnnotation.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawAnnotation.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMol.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMol.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCH.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCH.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawShape.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawShape.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextCairo.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextCairo.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFT.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFT.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTCairo.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Dr/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2D.h:233: warning: unbalanced grouping commands
awTextFTCairo.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTJS.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTJS.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTSVG.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTSVG.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextJS.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextJS.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextNotFT.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextNotFT.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextSVG.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextSVG.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Fonts/roboto_regular.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Fonts/roboto_regular.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Fonts/telex_regular.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Fonts/telex_regular.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2D.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2D.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DHelpers.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DHelpers.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DJS.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DJS.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/StringRect.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/StringRect.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/LinkNode.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/LinkNode.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h...
Prepro/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolOps.h:489: warning: unbalanced grouping commands
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolOps.h:747: warning: unbalanced grouping commands
cessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/mf.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/mf.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/MolHash.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/MolHash.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/nmmolhash.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/nmmolhash.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/MIFDescriptors.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/MIFDescriptors.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/details.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/details.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/MolInterchange.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/MolInterchange.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolOps.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolOps.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolPickler.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolPickler.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/MolProcessing.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/MolProcessing.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Charge.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Charge.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Fragment.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Fragment.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Metal.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Metal.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/MolStandardize.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/MolStandardize.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Normalize.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Normalize.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Pipeline.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Pipeline.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Tautomer.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Tautomer.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Validate.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Validate.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/MolTransforms.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/MolTransforms.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MonomerInfo.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MonomerInfo.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/new_canon.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/new_canon.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerCharges.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerCharges.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerParams.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerParams.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PeriodicTable.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PeriodicTable.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryAtom.h...
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Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryBond.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryBond.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryOps.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryOps.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/PartitionSet.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/PartitionSet.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalClusterOptions.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalClusterOptions.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalDetails.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalDetails.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalMCES.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalMCES.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalOptions.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalOptions.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalResult.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalResult.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RDKitBase.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RDKitBase.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RDKitQueries.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RDKitQueries.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/ReducedGraphs.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/ReducedGraphs.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Resonance.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Resonance.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupCore.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupCore.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupData.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupData.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompData.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompData.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupGa.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupGa.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupMatch.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupMatch.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupScore.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupScore.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupUtils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupUtils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RingInfo.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RingInfo.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Rings.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Rings.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ROMol.h...
Parsing file /build/reproducible-path/rdkit-202409.6//build/reproducible-path/rdkit-202409.6/Code/GraphMol/ROMol.h:416: warning: unbalanced grouping commands
Code/GraphMol/ROMol.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RWMol.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RWMol.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SanitException.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SanitException.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/detail.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/detail.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeEncoder.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeEncoder.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeUtils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeUtils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNAttribs.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNAttribs.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNParse.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNParse.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNParseOps.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNParseOps.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmartsWrite.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmartsWrite.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParse.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParse.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParseOps.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParseOps.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesWrite.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesWrite.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StereoGroup.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StereoGroup.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker/Pattern.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker/Pattern.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker/ReCharge.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker/ReCharge.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker/Stereo.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker/Stereo.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker/StripSmallFragments.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker/StripSmallFragments.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker/StructChecker.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker/StructChecker.h...
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Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/DistanceConstraint.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Nonbonded.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Nonbonded.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/OopBend.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/OopBend.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Params.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Params.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/PositionConstraint.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/PositionConstraint.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/TorsionAngle.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/TorsionAngle.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/TorsionConstraint.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/TorsionConstraint.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/PositionConstraint.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/PositionConstraint.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/TorsionConstraint.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/TorsionConstraint.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/AngleBend.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/AngleBend.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/AngleConstraint.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/AngleConstraint.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/BondStretch.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/BondStretch.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Contribs.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Contribs.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/DistanceConstraint.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/DistanceConstraint.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversion.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversion.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversions.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversions.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Nonbonded.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Nonbonded.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Params.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Params.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/PositionConstraint.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/PositionConstraint.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/TorsionAngle.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/TorsionAngle.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/TorsionConstraint.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/TorsionConstraint.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Utils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Utils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/AlignPoints.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/AlignPoints.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Numerics/Conrec.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Numerics/Conrec.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers/PowerEigenSolver.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers/PowerEigenSolver.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Numerics/Matrix.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Numerics/Matrix.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/BFGSOpt.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/BFGSOpt.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Numerics/SquareMatrix.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Numerics/SquareMatrix.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Numerics/SymmMatrix.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Numerics/SymmMatrix.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Numerics/Vector.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Numerics/Vector.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Geometry/Grid3D.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Geometry/Grid3D.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Geometry/GridUtils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Geometry/GridUtils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Geometry/point.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Geometry/point.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform2D.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform2D.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform3D.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform3D.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformGrid3D.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformGrid3D.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformRealValueGrid3D.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformRealValueGrid3D.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Geometry/Utils.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Geometry/Utils.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/Features/Feature.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/Features/Feature.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/ChemicalFeature.h...
Parsing file /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/ChemicalFeature.h...
Preprocessing /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/FreeChemicalFeature.h...
Parsing file /build/reproducible-path/rdkit-202409.6/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...
Searc/build/reproducible-path/rdkit-202409.6/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-202409.6/Code/GraphMol/MolOps.h:1187: warning: documented symbol 'modifies molecule in RDKit::MolOps::place' was not declared or defined.
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolOps.h:1203: warning: documented symbol 'modifies molecule in RDKit::MolOps::place' was not declared or defined.
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/Code/GraphMol/RGroupDecomposition/RGroupUtils.h
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryOps.h:535: warning: Found unknown command '\overloadquery'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryOps.h:526: warning: Found unknown command '\overloadquery'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:87: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:142: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:216: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:80: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:135: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:209: warning: Found unknown command '\override'
hing 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 RealValueVect.h...
Generating code for file SparseBitVect.h...
Generating code for file SparseIntVect.h...
Generating code for file BoundsMatrix.h...
Generating code for file ChiralSet.h...
Generating code for file 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 UniformRealValueGrid3D.h...
Generating code for file Abbreviations.h...
Generating code for file Atom.h...
Generating code for file atomic_data.h...
Generating code for file AtomIterators.h...
Generating code for file Atropisomers.h...
Generating code for file Bond.h...
Generating code for file BondIterators.h...
Generating code for file Canon.h...
Generating code for file CartesianProduct.h...
Generating code for file Enumerate.h...
Generating code for file EnumerateBase.h...
Generating code for file EnumerateTypes.h...
Generating code for file EnumerationPickler.h...
Generating code for file EnumerationStrategyBase.h...
Generating code for file EvenSamplePairs.h...
Generating code for file RandomSample.h...
Generating code for file RandomSampleAllBBs.h...
Generating code for file PreprocessRxn.h...
Generating code for file Reaction.h...
Generating code for file ReactionFingerprints.h...
Generating code for file ReactionParser.h...
Generating code for file ReactionPickler.h...
Generating code for file ReactionRunner.h...
Generating code for file ReactionUtils.h...
Generating code for file SanitizeRxn.h...
Generating code for file ChemTransforms.h...
Generating code for file MolFragmenter.h...
Generating code for file 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...
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G/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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'
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Gener/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/Code/GraphMol/Depictor/RDDepictor.h:392: 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-202409.6/Code/GraphMol/Depictor/RDDepictor.h:392: 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'
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Generating docs for compound RDInfoThe/build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryOps.h:526: warning: Found unknown command '\overloadquery'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryOps.h:535: warning: Found unknown command '\overloadquery'
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/Code/GraphMol/QueryOps.h:526: warning: Found unknown command '\overloadquery'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryOps.h:535: warning: Found unknown command '\overloadquery'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesWrite.h:232: 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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:36: 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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:36: 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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:111: 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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:111: 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-202409.6/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-202409.6/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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:227: 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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:227: 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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:97: 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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:97: 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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:66: 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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:66: 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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:142: 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-202409.6/Code/GraphMol/FileParsers/FileWriters.h:142: 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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/Code/GraphMol/Substruct/SubstructMatch.h:84: 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-202409.6/Code/GraphMol/Substruct/SubstructMatch.h:84: 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-202409.6/Code/GraphMol/Substruct/SubstructMatch.h:97: 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-202409.6/Code/GraphMol/Substruct/SubstructMatch.h:97: 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-202409.6/Code/GraphMol/Substruct/SubstructMatch.h:152: 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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/Code/GraphMol/FilterCatalog/FilterMatcherBase.h
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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'
ory::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::ControlCHandler...
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...
Generating docs for compound RDKit::FragCatalogEntry...
Generating docs for compound RDKit::FragCatGenerator...
Generating docs for compound RDKit::FragCatParams...
Generating docs for compound RD/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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'
Kit::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::PairHolder...
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_...
Generating docs for compound RDKit::QueryBond...
Generating docs for compound RDKit::RandomSampleAllBBsStrategy...
Generating docs for c/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/Code/GraphMol/FilterCatalog/FilterMatcherBase.h
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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'
ompound RDKit::RandomSampleStrategy...
Generating docs for compound RDKit::RCore...
Generating docs for compound RDKit::RDAny...
Generating docs for compound RDKit::RDProps...
Generating docs for compound RDKit::RDValue...
Generating docs for compound RDKit::ReactionFingerprintParams...
Generating docs for compound RDKit::ReactionPickler...
Generating docs for compound RDKit::ReactionPicklerException...
Generating docs for compound RDKit::RealValueVect...
Generating docs for compound RDKit::RecursiveStructureQuery...
Generating docs for compound RDKit::ResonanceMolSupplier...
Generating docs for compound RDKit::ResonanceMolSupplierCallback...
Generating docs for compound RDKit::RGroupData...
Generating docs for compound RDKit::RGroupDecompData...
Generating docs for nested compound RDKit::RGroupDecompData::UsedLabels...
Generating docs for compound RDKit::RGroupDecomposition...
Generating docs for compound RDKit::RGroupDecompositionChromosome...
Generating docs for compound RDKit::RGroupDecompositionParameters...
Generating docs for compound RDKit::RGroupDecompositionProcessResult...
Generating docs for compound RDKit::RGroupGa...
Generating docs for compound RDKit::RGroupMatch...
Generating docs for compound RDKit::RGroupScorer...
Generating docs for compound RDKit::RigorousEnhancedStereoException...
Generating docs for compound RDKit::RingInfo...
Generating docs for compound RDKit::ROMol...
Generating docs for compound RDKit::RWMol...
Generating docs for compound RDKit::RxnSanitizeException...
Generating docs for compound RDKit::SDWriter...
Generating docs for compound RDKit::SLNParseException...
Generating docs for compound RDKit::SmartsMatcher...
Generating docs for compound RDKit::SmilesWriteParams...
Generating docs for compound RDKit::SmilesWriter...
Generating docs for compound RDKit::Snapshot...
Generating docs for compound RDKit::SparseIntVect...
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...
Generating docs for compound RDKit::Canon::SpecialSymmetryAtomCompareFunctor...
Generat/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Chirality.h:414: 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-202409.6/Code/GraphMol/Chirality.h:143: warning: The following parameter of RDKit::Chirality::findPotentialStereo(ROMol &mol, bool cleanIt, bool flagPossible=true) is not documented:
parameter 'flagPossible'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Chirality.h:195: warning: The following parameter of RDKit::Chirality::getTrigonalBipyramidalAxialBond(const Atom *center, int which=0) is not documented:
parameter 'center'
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/Code/GraphMol/DistGeomHelpers/Embedder.h:328: warning: The following parameter of RDKit::DGeomHelpers::EmbedMultipleConfs(ROMol &mol, INT_VECT &res, unsigned int numConfs=10, int numThreads=1, unsigned int maxIterations=30, int seed=-1, bool clearConfs=true, bool useRandomCoords=false, double boxSizeMult=2.0, bool randNegEig=true, unsigned int numZeroFail=1, double pruneRmsThresh=-1.0, const std::map< int, RDGeom::Point3D > *coordMap=nullptr, double optimizerForceTol=1e-3, bool ignoreSmoothingFailures=false, bool enforceChirality=true, bool useExpTorsionAnglePrefs=false, bool useBasicKnowledge=false, bool verbose=false, double basinThresh=5.0, bool onlyHeavyAtomsForRMS=false, unsigned int ETversion=2, bool useSmallRingTorsions=false, bool useMacrocycleTorsions=true, bool useMacrocycle14config=true, unsigned int timeout=0) is not documented:
parameter 'timeout'
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/Code/GraphMol/FilterCatalog/FilterMatcherBase.h
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/Code/GraphMol/FilterCatalog/FilterMatcherBase.h
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/Code/GraphMol/FilterCatalog/FilterMatcherBase.h
/build/reproducible-path/rdkit-202409.6/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'
ing 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::FMCS::ExecStatistics...
Generating docs for compound RDKit::FMCS::Graph...
Generating do/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/Code/GraphMol/MMPA/MMPA.h:28: warning: The following parameter of RDKit::MMPA::fragmentMol(const ROMol &mol, std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > &result, unsigned int maxCuts=3, unsigned int maxCutBonds=20, const std::string &pattern="[#6+0;!$(*=,#[!#6])]!@!=!#[*]") is not documented:
parameter 'pattern'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/MMPA.h:49: warning: The following parameter of RDKit::MMPA::fragmentMol(const ROMol &mol, std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > &result, unsigned int minCuts, unsigned int maxCuts, unsigned int maxCutBonds, const std::string &pattern="[#6+0;!$(*=,#[!#6])]!@!=!#[*]") is not documented:
parameter 'pattern'
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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'
cs 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::MMPA::detail
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 RDKit::MolDraw2D_detail::DrawTextFTSV/build/reproducible-path/rdkit-202409.6/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-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:135: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:142: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:142: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:135: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:80: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:87: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:87: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:80: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:209: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:216: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:216: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.h:209: warning: Found unknown command '\override'
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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'
G...
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::PipelineResult...
Generating docs /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.h:208: warning: argument 'countSimulation' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.h:208: warning: argument 'includeChirality' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.h:208: warning: argument 'onlyNonzeroInvariants' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.h:273: warning: argument 'countSimulation' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.h:273: warning: argument 'includeChirality' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.h:273: warning: argument 'onlyNonzeroInvariants' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/Code/GraphMol/SmilesParse/SmilesWrite.h:104: 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)
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 compound RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm...
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 /build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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=false, const uint32_t torsionAtomCount=4, const bool countSimulation=true, const std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, const std::uint32_t fpSize=2048)
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:32: warning: The following parameter of RDKit::TopologicalTorsion::TopologicalTorsionArguments::TopologicalTorsionArguments(const bool includeChirality=false, const uint32_t torsionAtomCount=4, const bool countSimulation=true, const std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, const std::uint32_t fpSize=2048) is not documented:
parameter 'countSimulation'
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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'
docs for namespace RDKit::SmilesWrite::detail
Generating docs for namespace RDKit::StructureCheck
Generating docs for compound RDKit::StructureCheck::AugmentedAtom...
Generating docs for compound RDKit::StructureCheck::ChargeFix...
Generating docs for compound RDKit::StructureCheck::IncEntry...
Generating docs for compound RDKit::StructureCheck::Ligand...
Generating docs for compound RDKit::StructureCheck::Neighbourhood...
Generating docs for compound RDKit::StructureCheck::PathEntry...
Generating docs for compound RDKit::StructureCheck::StructChecker...
Generating docs for compound RDKit::StructureCheck::StructCheckerOptions...
Generating docs for compound RDKit::StructureCheck::StructCheckTautomer...
Generating docs for namespace RDKit::Subgraphs
Generating docs for namespace RDKit::SubstanceGroupChecks
Generating docs for namespace RDKit::SynthonSpaceSearch
Generating docs for compound RDKit::SynthonSpaceSearch::SearchResults...
Generating docs for compound RDKit::SynthonSpaceSearch::Synthon...
Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSet...
Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpace...
Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceFingerprintSearcher...
Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceHitSet...
Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceSearcher...
Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams...
Generating docs for compound RDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher...
Generating docs for namespace RDKit::SynthonSpaceSearch::details
Generating docs for compound RDKit::SynthonSpaceSearch::details::Stepper...
Generating docs for namespace RDKit::TopologicalTorsion
Generating docs for compound RDKit::TopologicalTorsion::TopologicalTorsionArguments...
Generating docs for compound RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv...
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 RD/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/MIFDescriptors.h:117: warning: argument 'pos' of command @param is not found in the argument list of RDMIF::Coulomb::Coulomb(const std::vector< double > &charges, const std::vector< RDGeom::Point3D > &positions, double probeCharge=1.0, bool absVal=false, double alpha=0.0, double cutoff=1.0)
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/MIFDescriptors.h:117: warning: The following parameter of RDMIF::Coulomb::Coulomb(const std::vector< double > &charges, const std::vector< RDGeom::Point3D > &positions, double probeCharge=1.0, bool absVal=false, double alpha=0.0, double cutoff=1.0) is not documented:
parameter 'positions'
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/MIFDescriptors.h:220: warning: argument 'pos' of command @param is not found in the argument list of RDMIF::CoulombDielectric::CoulombDielectric(const std::vector< double > &charges, const std::vector< RDGeom::Point3D > &positions, double probeCharge=1.0, bool absVal=false, double alpha=0.0, double cutoff=1.0, double epsilon=80.0, double xi=4.0)
/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/MIFDescriptors.h:220: warning: The following parameter of RDMIF::CoulombDielectric::CoulombDielectric(const std::vector< double > &charges, const std::vector< RDGeom::Point3D > &positions, double probeCharge=1.0, bool absVal=false, double alpha=0.0, double cutoff=1.0, double epsilon=80.0, double xi=4.0) is not documented:
parameter 'positions'
/build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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-202409.6/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
Kit::v2::ReactionParser
Generating docs for namespace RDKit::v2::SmilesParse
Generating docs for namespace RDLog
Generating docs for namespace RDMIF
Generating docs for compound RDMIF::Coulomb...
Generating docs for compound RDMIF::CoulombDielectric...
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Generating docs for namespace RDNumeric
Generating docs for compound RDNumeric::Matrix...
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Generating docs for namespace RDNumeric::EigenSolvers
Generating docs for namespace RDPickers
Generating docs for compound RDPickers::DistPicker...
Generating docs for compound RDPickers::HierarchicalClusterPicker...
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Generating docs for compound RDPickers::MaxMinPicker...
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Generating docs for namespace SmilesParseOps::detail
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finalizing index lists...
writing tag file...
Running plantuml with JAVA...
type lookup cache used 36956/65536 hits=217530 misses=41055
symbol lookup cache used 32486/65536 hits=291606 misses=32486
finished...
(cd /build/reproducible-path/rdkit-202409.6/Docs/Book; RDBASE=/build/reproducible-path/rdkit-202409.6 /usr/bin/make html)
make[2]: Entering directory '/build/reproducible-path/rdkit-202409.6/Docs/Book'
mkdir -p _build/html/cppapi
cp -r /build/reproducible-path/rdkit-202409.6/Code/docs/* _build/html/cppapi
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Running Sphinx v8.1.3
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/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md:305: WARNING: duplicate label writing molecules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/Cookbook.rst [autosectionlabel.GettingStartedInC++]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:12: WARNING: duplicate label what is this?, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:30: WARNING: duplicate label reading single molecules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:104: WARNING: duplicate label reading sets of molecules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:208: WARNING: duplicate label writing molecules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:393: WARNING: duplicate label writing sets of molecules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:434: WARNING: duplicate label working with molecules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:438: WARNING: duplicate label looping over atoms and bonds, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:481: WARNING: duplicate label ring information, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:550: WARNING: duplicate label modifying molecules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:618: WARNING: duplicate label working with 2d molecules: generating depictions, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:668: WARNING: duplicate label working with 3d molecules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:794: WARNING: duplicate label preserving molecules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:850: WARNING: duplicate label drawing molecules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:1089: WARNING: duplicate label substructure searching, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:1154: WARNING: duplicate label stereochemistry in substructure matches, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:1192: WARNING: duplicate label atom map indices in smarts, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:3434: WARNING: duplicate label the sssr problem, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInC++.md [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst:3848: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/Cookbook.rst [autosectionlabel.GettingStartedInPython]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md:424: WARNING: duplicate label building rdkit for development, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md [autosectionlabel.GettingStartedWithContributing]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md:430: WARNING: duplicate label where should i put my code?, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md [autosectionlabel.GettingStartedWithContributing]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md:434: WARNING: duplicate label coding standards, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md [autosectionlabel.GettingStartedWithContributing]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md:447: WARNING: duplicate label tests, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md [autosectionlabel.GettingStartedWithContributing]
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md:481: WARNING: duplicate label documentation, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md [autosectionlabel.GettingStartedWithContributing]
/build/reproducible-path/rdkit-202409.6/Docs/Book/Install.md:430: WARNING: duplicate label recommended extras, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/Install.md [autosectionlabel.Install]
/build/reproducible-path/rdkit-202409.6/Docs/Book/Install.md:474: WARNING: duplicate label testing the build (optional, but recommended), other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/Install.md [autosectionlabel.Install]
/build/reproducible-path/rdkit-202409.6/Docs/Book/Install.md:479: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst [autosectionlabel.Install]
/build/reproducible-path/rdkit-202409.6/Docs/Book/Overview.md:107: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/Install.md [autosectionlabel.Overview]
/build/reproducible-path/rdkit-202409.6/Docs/Book/RDKit_Book.rst:179: WARNING: duplicate label aromaticity, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/RDKit_Book.rst [autosectionlabel.RDKit_Book]
/build/reproducible-path/rdkit-202409.6/Docs/Book/RDKit_Book.rst:385: WARNING: duplicate label dative bonds, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/RDKit_Book.rst [autosectionlabel.RDKit_Book]
/build/reproducible-path/rdkit-202409.6/Docs/Book/RDKit_Book.rst:575: WARNING: duplicate label stereochemistry, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/Cookbook.rst [autosectionlabel.RDKit_Book]
/build/reproducible-path/rdkit-202409.6/Docs/Book/RDKit_Book.rst:1304: WARNING: duplicate label chemical features, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst [autosectionlabel.RDKit_Book]
/build/reproducible-path/rdkit-202409.6/Docs/Book/RDKit_Book.rst:2504: WARNING: duplicate label introduction, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/Cookbook.rst [autosectionlabel.RDKit_Book]
/build/reproducible-path/rdkit-202409.6/Docs/Book/RDKit_Book.rst:2602: WARNING: duplicate label rdkit fingerprints, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedInPython.rst [autosectionlabel.RDKit_Book]
/build/reproducible-path/rdkit-202409.6/Docs/Book/RDKit_Book.rst:2768: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Avalon.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Avalon]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Avalon.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.rst [autosectionlabel.source/rdkit.Chem]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.rst:28: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Avalon.rst [autosectionlabel.source/rdkit.Chem]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.rst:115: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.AtomPairs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.Chem.AtomPairs]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.AtomPairs.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.ChemUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.AtomPairs.rst [autosectionlabel.source/rdkit.Chem.ChemUtils]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.ChemUtils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Draw.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.ChemUtils.rst [autosectionlabel.source/rdkit.Chem.Draw]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Draw.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.EState.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Draw.rst [autosectionlabel.source/rdkit.Chem.EState]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.EState.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.FeatMaps.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.EState.rst [autosectionlabel.source/rdkit.Chem.FeatMaps]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.FeatMaps.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Features.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.FeatMaps.rst [autosectionlabel.source/rdkit.Chem.Features]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Features.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Fingerprints.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Features.rst [autosectionlabel.source/rdkit.Chem.Fingerprints]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Fingerprints.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Fraggle.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Fingerprints.rst [autosectionlabel.source/rdkit.Chem.Fraggle]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Fraggle.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.MolDb.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Fraggle.rst [autosectionlabel.source/rdkit.Chem.MolDb]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.MolDb.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.MolKey.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.MolDb.rst [autosectionlabel.source/rdkit.Chem.MolKey]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.MolKey.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.MolStandardize.rst:6: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Pharm2D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.MolStandardize.rst [autosectionlabel.source/rdkit.Chem.Pharm2D]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Pharm2D.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Pharm3D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Pharm2D.rst [autosectionlabel.source/rdkit.Chem.Pharm3D]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Pharm3D.rst:14: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Scaffolds.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Pharm3D.rst [autosectionlabel.source/rdkit.Chem.Scaffolds]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Scaffolds.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Scaffolds.rst [autosectionlabel.source/rdkit.Chem.SimpleEnum]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Subshape.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.SimpleEnum.rst [autosectionlabel.source/rdkit.Chem.Subshape]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Subshape.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Suppliers.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Subshape.rst [autosectionlabel.source/rdkit.Chem.Suppliers]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Suppliers.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.fmcs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Suppliers.rst [autosectionlabel.source/rdkit.Chem.fmcs]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.fmcs.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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.rdSynthonSpaceSearch' 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-202409.6/Docs/Book/source/rdkit.DataManip.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.DataManip]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataManip.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.DataManip.Metric.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.fmcs.rst [autosectionlabel.source/rdkit.DataManip.Metric]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataManip.Metric.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.DataStructs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataManip.Metric.rst [autosectionlabel.source/rdkit.DataStructs]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataStructs.rst:18: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Dbase.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataStructs.rst [autosectionlabel.source/rdkit.Dbase]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Dbase.rst:17: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.DistanceGeometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Dbase.rst [autosectionlabel.source/rdkit.DistanceGeometry]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DistanceGeometry.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/Docs/Book/source/rdkit.ForceField.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Geometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DistanceGeometry.rst [autosectionlabel.source/rdkit.Geometry]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Geometry.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataManip.rst [autosectionlabel.source/rdkit.ML]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.rst:18: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Geometry.rst [autosectionlabel.source/rdkit.ML]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.rst:26: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.Cluster.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.ML.Cluster]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Cluster.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.Data.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Cluster.rst [autosectionlabel.source/rdkit.ML.Data]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Data.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.Descriptors.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Data.rst [autosectionlabel.source/rdkit.ML.Descriptors]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Descriptors.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.InfoTheory.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Descriptors.rst [autosectionlabel.source/rdkit.ML.InfoTheory]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.InfoTheory.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.MLUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.InfoTheory.rst [autosectionlabel.source/rdkit.ML.MLUtils]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.MLUtils.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.SLT.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.MLUtils.rst [autosectionlabel.source/rdkit.ML.SLT]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.SLT.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.Scoring.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.SLT.rst [autosectionlabel.source/rdkit.ML.Scoring]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Scoring.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Numerics.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Scoring.rst [autosectionlabel.source/rdkit.Numerics]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Numerics.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.SimDivFilters.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Numerics.rst [autosectionlabel.source/rdkit.SimDivFilters]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.SimDivFilters.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.VLib.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.VLib]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.VLib.rst:12: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.SimDivFilters.rst [autosectionlabel.source/rdkit.VLib]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.VLib.rst:23: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.VLib.NodeLib.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.VLib.rst [autosectionlabel.source/rdkit.VLib.NodeLib]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.VLib.NodeLib.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.utils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.VLib.NodeLib.rst [autosectionlabel.source/rdkit.utils]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.utils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/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
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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
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copying downloadable files... [100%] C++Examples/example16.cpp
copying static files...
Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/language_data.js
Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/documentation_options.js
Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/basic.css
Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/sphinxdoc.css
copying static files: done
copying extra files...
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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-202409.6/Docs/Book/source/rdkit.Chem.Draw.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.ChemUtils.rst [autosectionlabel.source/rdkit.Chem.Draw]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Draw.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.EState.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Draw.rst [autosectionlabel.source/rdkit.Chem.EState]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.EState.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.FeatMaps.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.EState.rst [autosectionlabel.source/rdkit.Chem.FeatMaps]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.FeatMaps.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Features.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.FeatMaps.rst [autosectionlabel.source/rdkit.Chem.Features]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Features.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Fingerprints.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Features.rst [autosectionlabel.source/rdkit.Chem.Fingerprints]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Fingerprints.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Fraggle.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Fingerprints.rst [autosectionlabel.source/rdkit.Chem.Fraggle]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Fraggle.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.MolDb.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Fraggle.rst [autosectionlabel.source/rdkit.Chem.MolDb]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.MolDb.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.MolKey.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.MolDb.rst [autosectionlabel.source/rdkit.Chem.MolKey]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.MolKey.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Pharm2D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.MolKey.rst [autosectionlabel.source/rdkit.Chem.Pharm2D]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Pharm2D.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Pharm3D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Pharm2D.rst [autosectionlabel.source/rdkit.Chem.Pharm3D]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Pharm3D.rst:14: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Scaffolds.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Pharm3D.rst [autosectionlabel.source/rdkit.Chem.Scaffolds]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Scaffolds.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Scaffolds.rst [autosectionlabel.source/rdkit.Chem.SimpleEnum]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Subshape.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.SimpleEnum.rst [autosectionlabel.source/rdkit.Chem.Subshape]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Subshape.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.Suppliers.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Subshape.rst [autosectionlabel.source/rdkit.Chem.Suppliers]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Suppliers.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Chem.fmcs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.Suppliers.rst [autosectionlabel.source/rdkit.Chem.fmcs]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.fmcs.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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.rdSynthonSpaceSearch' 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-202409.6/Docs/Book/source/rdkit.DataManip.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.rst [autosectionlabel.source/rdkit.DataManip]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataManip.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.DataManip.Metric.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Chem.fmcs.rst [autosectionlabel.source/rdkit.DataManip.Metric]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataManip.Metric.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.DataStructs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataManip.Metric.rst [autosectionlabel.source/rdkit.DataStructs]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataStructs.rst:18: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Dbase.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataStructs.rst [autosectionlabel.source/rdkit.Dbase]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Dbase.rst:17: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.DistanceGeometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Dbase.rst [autosectionlabel.source/rdkit.DistanceGeometry]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DistanceGeometry.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/Docs/Book/source/rdkit.ForceField.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Geometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DistanceGeometry.rst [autosectionlabel.source/rdkit.Geometry]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Geometry.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.DataManip.rst [autosectionlabel.source/rdkit.ML]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.rst:18: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Geometry.rst [autosectionlabel.source/rdkit.ML]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.rst:26: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.Cluster.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.ML.Cluster]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Cluster.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.Data.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Cluster.rst [autosectionlabel.source/rdkit.ML.Data]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Data.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.Descriptors.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Data.rst [autosectionlabel.source/rdkit.ML.Descriptors]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Descriptors.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.InfoTheory.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Descriptors.rst [autosectionlabel.source/rdkit.ML.InfoTheory]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.InfoTheory.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.MLUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.InfoTheory.rst [autosectionlabel.source/rdkit.ML.MLUtils]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.MLUtils.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.SLT.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.MLUtils.rst [autosectionlabel.source/rdkit.ML.SLT]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.SLT.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.ML.Scoring.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.SLT.rst [autosectionlabel.source/rdkit.ML.Scoring]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Scoring.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.Numerics.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.Scoring.rst [autosectionlabel.source/rdkit.Numerics]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Numerics.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.SimDivFilters.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.Numerics.rst [autosectionlabel.source/rdkit.SimDivFilters]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.SimDivFilters.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.VLib.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.ML.rst [autosectionlabel.source/rdkit.VLib]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.VLib.rst:12: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.SimDivFilters.rst [autosectionlabel.source/rdkit.VLib]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.VLib.rst:23: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.VLib.NodeLib.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.VLib.rst [autosectionlabel.source/rdkit.VLib.NodeLib]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.VLib.NodeLib.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/Docs/Book/source/rdkit.utils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.VLib.NodeLib.rst [autosectionlabel.source/rdkit.utils]
/build/reproducible-path/rdkit-202409.6/Docs/Book/source/rdkit.utils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202409.6/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-202409.6/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-202409.6/Docs/Book/_build/latex/make.bat
Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/latexmkrc
Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/latexmkjarc
Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/Makefile
done
copying assets: done
processing RDKit.tex...
index
Overview
Install
GettingStartedInPython
RDKit_Book
GettingStartedWithContributing
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.Chem.rdSynthonSpaceSearch
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...
/build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md:273: WARNING: 'myst' cross-reference target not found: 'building-rdkit-for-development' [myst.xref_missing]
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("<urllib3.connection.HTTPSConnection object at 0xffff9c866270>: Failed to resolve 'img.shields.io' ([Errno -3] Temporary failure in name resolution)"))]
processing RDKit.tex: done
writing... done
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Chapter 4.
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[]\T1/qtm/m/n/10 Hence, a sin-gle change to SMARTS in-ter-pre-ta-tion, for ex-p
res-sions of the form:
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Chapter 5.
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Chapter 6.
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Chapter 7.
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(see the transcript file for additional information)</usr/share/texlive/texmf-d
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\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.
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[]\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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[]\T1/txtt/m/n/10 [cH:5]1[cH:6][c:7]2[cH:8][n:9][cH:10][cH:11][c:12]2[c:3]([cH:
4]1)[C:2](=[O:1])[N:13]=[N+:14]=[N-
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[]\T1/txtt/m/n/10 [$([O,S;H1;v2;!$(*[]*=[O,N,P,S])]),$([O,S;H0;v2]),$([O,S;[]])
,$([N;v3;!$(N[]*=[O,N,
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[]\T1/txtt/m/n/10 [#7;+,$([N;H2&+0][$([C,a]);!$([C,a](=O))]),$([N;H1&+0]([$([C,
a]);!$([C,
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\T1/txtt/m/n/10 a](=O))])[$([C,a]);!$([C,a](=O))]),$([N;H0&+0]([C;!$(C(=O))])([
C;!$(C(=O))])[C;!
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[]\T1/qtm/m/n/10 Acidic|
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[82 <./picture_5.png (PNG copy)>]
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Chapter 4.
[85 <./picture_9.png (PNG copy)>]
[86 <./picture_8.png> <./picture_7.png (PNG copy)>]
[87 <./picture_10.png> <./picture_12.png>]
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[]\T1/qtm/m/n/10 Hence, a sin-gle change to SMARTS in-ter-pre-ta-tion, for ex-p
res-sions of the form:
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[97 <./parastereo_2.png> <./parastereo_1.png> <./potential_stereo_double_bond1.
png> <./potential_stereo_double_bond2.png>]
[98 <./potential_stereo_double_bond3.png>]
[99]
[100 <./nontetstereo_sp1.png> <./nontetstereo_sp2.png> <./nontetstereo_sp3.png>
<./nontetstereo_sp4.png>]
[101 <./nontetstereo_tb2.png> <./nontetstereo_tb1.png>] [102 <./nontetstereo_oh
2.png> <./nontetstereo_oh1.png>]
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[]\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 -
[103 <./nontetstereo_ex1.png> <./nontetstereo_ex2.png> <./nontetstereo_missing1
.png>]
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\T1/qtm/m/n/10 Here's the rd-kitj-son rep-re-sen-ta-tion of the stereo groups f
rom the molecule
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[]\T1/qtm/m/n/10 _Chi-ral-i-ty-Pos-si-
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[]\T1/qtm/m/n/10 _Re-ac-tion-De-
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[]\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.
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[]\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.
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\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.
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[]\T1/qhv/m/n/10 Mix-
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[122 <./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>]
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[]\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.
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[124 <./EnhancedStereoSSS_molA.png> <./EnhancedStereoSSS_molB.png> <./EnhancedS
tereoSSS_molC.png> <./EnhancedStereoSSS_molD.png> <./EnhancedStereoSSS_molE.png
> <./EnhancedStereoSSS_molF.png> <./EnhancedStereoSSS_molG.png>]
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[126 <./atrop_example1.png> <./atrop_example2.png> <./atrop_example3.png>]
[127 <./atrop_representation1.png>]
[128 <./atrop_example4.png>]
[129 <./atrop_example5.png> <./atrop_representation2.png>]
[130 <./query_bonds.png>]
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[]\T1/txtt/m/n/10 allowNontetrahedralChirality\T1/qtm/m/n/10 : when this is \T1
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\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-
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\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
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\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 /
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\T1/txtt/m/n/10 RDKit::Chirality::getAllowNontetrahedralChirality() \T1/qtm/m/n
/10 or from Python us-ing the func-tions
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[]\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-
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\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-
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\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
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\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 /
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Chapter 5.
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Chapter 6.
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[152 <./RDKitCB_0_im0.png> <./RDKitCB_0_im1.png>]
[153 <./RDKitCB_0_im2.png> <./RDKitCB_40_im0.png>]
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[160 <./RDKitCB_36_im1.png>]
[161 <./RDKitCB_38_im0.png>]
[162 <./RDKitCB_39_im0.png (PNG copy)>]
[163 <./RDKitCB_17_im0.png> <./RDKitCB_17_im1.png>]
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[]\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[][]
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[]\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[][]
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[175 <./RDKitCB_7_im0.png> <./RDKitCB_7_im1.png>]
[176 <./RDKitCB_7_im2.png (PNG copy)> <./RDKitCB_7_im3.png> <./RDKitCB_7_im4.pn
g>]
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[]\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[][]
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[185 <./RDKitCB_13_im1.png>]
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[187 <./RDKitCB_20_im0.png>]
[188 <./RDKitCB_21_im0.png>]
[189 <./RDKitCB_21_im1.png>]
[190 <./RDKitCB_21_im2.png (PNG copy)> <./RDKitCB_21_im3.png>]
[191 <./RDKitCB_21_im4.png>]
[192 <./RDKitCB_21_im5.png (PNG copy)>]
[193 <./RDKitCB_22_im0.png>]
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[196 <./RDKitCB_6_im1.png (PNG copy)> <./RDKitCB_6_im2.png (PNG copy)>]
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[205 <./RDKitCB_28_im0.png (PNG copy)> <./RDKitCB_28_im1.png (PNG copy)>]
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Chapter 7.
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[]\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
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[]\T1/txtt/m/n/10 CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@
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[]\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|
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[]\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|
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=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-
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[]\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-
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[]\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-
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[]\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|
[214]
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[219]
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Chapter 8.
[229]
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\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,
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\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[]],
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\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[]],
[232]
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Chapter 9.
[235]
[236]
[237]
[238]
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[240]
[241]
[242]
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[246]
Chapter 10.
[247]
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\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
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[]\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
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Chapter 11.
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Chapter 12.
(./RDKit.ind)
[275] (./RDKit.aux) )
(see the transcript file for additional information)</usr/share/texlive/texmf-d
ist/fonts/type1/public/amsfonts/cm/cmmi5.pfb></usr/share/texlive/texmf-dist/fon
ts/type1/public/amsfonts/cm/cmsy5.pfb></usr/share/texmf/fonts/type1/public/tex-
gyre/qhvb.pfb></usr/share/texmf/fonts/type1/public/tex-gyre/qhvbi.pfb></usr/sha
re/texmf/fonts/type1/public/tex-gyre/qhvr.pfb></usr/share/texmf/fonts/type1/pub
lic/tex-gyre/qtmb.pfb></usr/share/texmf/fonts/type1/public/tex-gyre/qtmr.pfb></
usr/share/texmf/fonts/type1/public/tex-gyre/qtmri.pfb></usr/share/texlive/texmf
-dist/fonts/type1/public/txfonts/t1xbtt.pfb></usr/share/texlive/texmf-dist/font
s/type1/public/txfonts/t1xtt.pfb></usr/share/texlive/texmf-dist/fonts/type1/pub
lic/txfonts/t1xtt.pfb></usr/share/texlive/texmf-dist/fonts/type1/public/txfonts
/tcxtt.pfb></usr/share/texlive/texmf-dist/fonts/type1/urw/times/utmr8a.pfb>
Output written on RDKit.pdf (279 pages, 2962408 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-202409.6/Docs/Book/_build/latex'
pdflatex finished; the PDF files are in _build/latex.
make[2]: Leaving directory '/build/reproducible-path/rdkit-202409.6/Docs/Book'
make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
debian/rules override_dh_auto_test
make[1]: Entering directory '/build/reproducible-path/rdkit-202409.6'
cp -r rdkit obj-*/
find /build/reproducible-path/rdkit-202409.6 -name rdchem.so
/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
PYTHONPATH=/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/:/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//rdkit/Chem/ LD_LIBRARY_PATH="/build/reproducible-path/rdkit-202409.6/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-202409.6/obj-aarch64-linux-gnu'
Running tests...
/usr/bin/ctest --force-new-ctest-process --verbose -j12
UpdateCTestConfiguration from :/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/DartConfiguration.tcl
Parse Config file:/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/DartConfiguration.tcl
Add coverage exclude regular expressions.
UpdateCTestConfiguration from :/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/DartConfiguration.tcl
Parse Config file:/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/DartConfiguration.tcl
Test project /build/reproducible-path/rdkit-202409.6/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
Connected to MAKE jobserver
test 1
Start 1: testCoordGen
1: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/External/CoordGen/testCoordGen
1: Working Directory: /build/reproducible-path/rdkit-202409.6/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-202409.6/External/CoordGen/Wrap/testCoordGen.py"
2: Working Directory: /build/reproducible-path/rdkit-202409.6/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-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/testDict
3: Working Directory: /build/reproducible-path/rdkit-202409.6/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-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/testRDValue
4: Working Directory: /build/reproducible-path/rdkit-202409.6/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-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/testConcurrentQueue
5: Working Directory: /build/reproducible-path/rdkit-202409.6/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-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/dictTestsCatch
6: Working Directory: /build/reproducible-path/rdkit-202409.6/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-202409.6/obj-aarch64-linux-gnu/Code/RDGeneral/logTestsCatch
7: Working Directory: /build/reproducible-path/rdkit-202409.6/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-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/testDataStructs
8: Working Directory: /build/reproducible-path/rdkit-202409.6/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-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/testFPB
9: Working Directory: /build/reproducible-path/rdkit-202409.6/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-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/testMultiFPB
10: Working Directory: /build/reproducible-path/rdkit-202409.6/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-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/catchDataStructs
11: Working Directory: /build/reproducible-path/rdkit-202409.6/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-202409.6/Code/DataStructs/Wrap/testBV.py"
12: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
12: Test timeout computed to be: 1500
1: core
1: RDKit 2D
1:
1: 4 4 0 0 0 0 0 0 0 0999 V2000
1: 0.6824 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.1850 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.6824 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.1850 0.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 3 4 1 0
1: 4 1 1 0
1: M END
1:
1: core+sidechain
1: RDKit 2D
1:
1: 7 7 0 0 0 0 0 0 0 0999 V2000
1: 0.6496 0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.3926 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.4726 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.3396 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.2048 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.3590 -0.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.6160 0.6508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 3 4 1 0
1: 4 5 1 0
1: 2 6 1 0
1: 6 7 1 0
1: 7 1 1 0
1: M END
1:
1: templated
1: RDKit 2D
1:
1: 7 7 0 0 0 0 0 0 0 0999 V2000
1: 0.6824 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.1850 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.6824 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.1850 0.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 3 4 1 0
1: 4 5 1 0
1: 2 6 1 0
1: 6 7 1 0
1: 7 1 1 0
1: M END
1:
1: core
1: RDKit 2D
1:
1: 10 10 0 0 0 0 0 0 0 0999 V2000
1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 3 4 1 0
1: 4 5 1 0
1: 5 6 1 0
1: 6 7 1 0
1: 7 8 1 0
1: 8 9 1 0
1: 9 10 1 0
1: 10 1 1 0
1: M END
1:
1: core+sidechain
1: RDKit 2D
1:
1: 12 12 0 0 0 0 0 0 0 0999 V2000
1: 0.2846 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.2790 -1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.5898 -2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.4530 -1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.4476 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.5788 -0.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.5732 0.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.2956 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.3012 2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.1700 2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.1590 0.7434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.1534 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
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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
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1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1: M END
1:
1: core
1: RDKit 2D
1:
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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
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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
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1: M END
1:
1: core+sidechain
1: RDKit 2D
1:
1: 16 16 0 0 0 0 0 0 0 0999 V2000
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1: 2.6532 1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1: 3.5180 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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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
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1: M END
1:
1: templated
1: RDKit 2D
1:
1: 16 16 0 0 0 0 0 0 0 0999 V2000
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1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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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
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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
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1: M END
1:
1: core
1: RDKit 2D
1:
1: 9 10 0 0 0 0 0 0 0 0999 V2000
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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
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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
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1: 0.7969 3.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1: 0.2999 -0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1: 1 2 1 0
1: 2 3 1 0
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1: 2 6 1 0
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1: 15 16 1 0
1: 15 17 1 0
1: 14 18 1 0
1: 18 19 1 0
1: 13 1 1 0
1: 19 12 1 0
1: 11 9 1 0
1: M END
1:
1: templated
1: RDKit 2D
1:
1: 19 21 0 0 0 0 0 0 0 0999 V2000
1: 0.5360 -0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.4021 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.2680 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.2680 -1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.4020 -2.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.4021 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.5360 1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.5360 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.3300 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.3300 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.8300 3.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.3300 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.3300 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.2812 -0.7457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.5900 -1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.9208 -2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.5682 -1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.8686 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.2812 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 3 4 1 0
1: 4 5 1 0
1: 2 6 1 0
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1: 7 8 1 0
1: 8 9 1 0
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1: 7 12 1 0
1: 12 13 1 0
1: 13 14 1 0
1: 14 15 1 0
1: 15 16 1 0
1: 15 17 1 0
1: 14 18 1 0
1: 18 19 1 0
1: 13 1 1 0
1: 19 12 1 0
1: 11 9 1 0
1: M END
1:
1: core
1: RDKit 2D
1:
1: 5 4 0 0 0 0 0 0 0 0999 V2000
1: 1.2134 -0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.3464 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.3444 1.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.5186 -0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.3856 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 2 4 1 0
1: 4 5 1 0
1: M END
1:
1: core+sidechain
1: RDKit 2D
1:
1: 7 6 0 0 0 0 0 0 0 0999 V2000
1: -1.7333 -0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.8661 -0.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.8641 0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.0011 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.8659 -0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.8679 0.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.7309 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 2 4 1 0
1: 4 5 1 0
1: 5 6 1 0
1: 5 7 1 0
1: M END
1:
1: templated
1: RDKit 2D
1:
1: 7 6 0 0 0 0 0 0 0 0999 V2000
1: 1.2227 -0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.3464 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.3350 1.0058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.5185 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.3902 -0.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.2506 -0.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.4014 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 2 4 1 0
1: 4 5 1 0
1: 5 6 1 0
1: 5 7 1 0
1: M END
1:
1: test1
1: RDKit 2D
1:
1: 12 12 0 0 0 0 0 0 0 0999 V2000
1: 0.3628 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.5014 1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.3692 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.2334 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -3.1012 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.3728 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.5086 -0.9565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.3594 -0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.2234 -0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.0912 -0.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.0948 0.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.9554 -0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 2 0
1: 2 3 1 0
1: 3 4 1 0
1: 4 5 1 0
1: 3 6 2 0
1: 6 7 1 0
1: 7 8 2 0
1: 8 9 1 0
1: 9 10 1 0
1: 10 11 2 0
1: 10 12 1 0
1: 8 1 1 0
1: M END
1:
1: test2
1: RDKit 2D
1:
1: 5 4 0 0 0 0 0 0 0 0999 V2000
1: -0.4980 0.7210 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.0004 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.8678 -0.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.5020 0.7182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.8642 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 2 4 1 0
1: 2 5 1 0
1: M END
1:
3: [00:53:05] Testing Github940: property dictionaries leaking memory
3: [00:53:05] done
3: Testing RDValue
3: Testing RDAny
3: dict set int vect
3: dict get int vect
3: static boost any:0.000258 s
3: dynamic boost any:0.00102 s
3: static RDAny:0.000125 s
3: dynamic RDAny:0.001005 s
3: static RDValue:0 s
3: dynamic RDValue:0.000155 s
3: deleted!
3: [00:53:05] -------------------------------------
3: [00:53:05] Testing String Pickle Roundtrips.
3: [00:53:05] done
3: [00:53:05] -------------------------------------
3: [00:53:05] Testing conversion of vect to string.
3: [00:53:05] done
3: [00:53:05] -------------------------------------
3: [00:53:05] Testing returning const references.
3: [00:53:05] any cast
3: [00:53:05] done: 0.000816 300000
3: [00:53:05] copy
3: [00:53:05] done: 0.000837 300000
3: [00:53:05] ref
3: [00:53:05] done: 0.000821 300000
3: [00:53:05] dict
3: [00:53:05] done: 0.001948 300000
3: [00:53:05] ref with hasVal
3: [00:53:05] done: 0.001302 300000
3: [00:53:05] done
3: [00:53:05] -------------------------------------
3: [00:53:05] Testing dict update.
3: [00:53:05] done
3: deleted!
3: deleted!
3: deleted!
3: deleted!
3: deleted!
3: deleted!
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: [00:53:05]
5: -----------------------------------------
5: [00:53:05] Finished: testPushAndPop()
5: [00:53:05]
5: -----------------------------------------
5: [00:53:05]
5: -----------------------------------------
8: [00:53:05] pass
8: [00:53:05] v3 4
8: [00:53:05] v4 5
8: [00:53:05] SPARSE -----------------------------------
8: [00:53:05] Set 10: 0
8: [00:53:05] Set 11: 0
8: [00:53:05] Set 14: 0
8: [00:53:05] Set 10: 1
8: [00:53:05] Get 14: 1
8: [00:53:05] Num: 20
8: [00:53:05] NumOn: 3
8: [00:53:05] NumOff: 17
8: 10, 11, 14,
8: [00:53:05] t2[19]: 0
8: [00:53:05] t2[14]: 1
8: [00:53:05] t2[19]: 0
8: [00:53:05] 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: [00:53:05] Explicit ----------------------------------
8: [00:53:05] Set 10: 0
8: [00:53:05] Set 11: 0
8: [00:53:05] Set 14: 0
8: [00:53:05] Set 10: 1
8: [00:53:05] Get 14: 1
8: [00:53:05] Num: 20
8: [00:53:05] NumOn: 3
8: [00:53:05] NumOff: 17
8: 10, 11, 14,
8: [00:53:05] t2[19]: 0
8: [00:53:05] t2[14]: 1
8: [00:53:05] t2[19]: 0
8: [00:53:05] 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: [00:53:05] Done
8: [00:53:05] Test DiscreteValue Vectors 1 ----------------------------
8: [00:53:05] Expected failure: Value out of range
8: [00:53:05] Expected failure: Value out of range
8: [00:53:05] Expected failure: Value out of range
8: [00:53:05] Expected failure: Value out of range
8: [00:53:05] Expected failure: Value out of range
8: [00:53:05] Test DiscreteValue Vectors 2 ------------------------------
8: [00:53:05] Test DiscreteValue Vectors 3 ---------------------------
8: [00:53:05] Test DiscreteValue Operations -----------------------------
8: [00:53:05] Test DiscreteValue Operations 2 --------------------------
8: [00:53:05] Test SparseIntVect ------------------------------------
8: [00:53:05] Test SparseIntVect Serialization --------------------------
8: [00:53:05] Test BitVect Serialization -------------------------------
8: [00:53:05] Test BitVect to FPS -------------------------------
8: [00:53:05] Test BitVect to binary string -------------------------------
8: [00:53:05] Test Similarity Measures BitVect -------------------------------
8: [00:53:05] Test Similarity Measures SparseBitVect -------------------------------
8: [00:53:05] Test BitVect with all ones -------------------------------
8: [00:53:05] Test Explicit BitVects: Concatenation Operation -------------------------------
8: [00:53:05] Test bitmap operations -------------------------------
8: [00:53:05] Test bitmaps as properties -------------------------------
8: [00:53:05] Test #3944: SparseIntVect copy constructor and assignment operators not clearing existing data-------------------------------
8: [00:53:05] Test RealValue Vectors 1: Constructors and Accessing Values -------------------------------
8: [00:53:05] Test RealValue Vectors 2: L1Norm -------------------------------
8: [00:53:05] Test RealValue Vectors 3: Pickles -------------------------------
8: [00:53:05] Test RealValue Vectors 4: Vector Operations -------------------------------
1/235 Test #4: testRDValue ............................ Passed 0.05 sec
2/235 Test #3: testDict ............................... Passed 0.06 sec
3/235 Test #8: testDataStructs ........................ Passed 0.04 sec
4/235 Test #9: testFPB ................................ Passed 0.04 sec
test 13
Start 13: pyDiscreteValueVect
13: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testDiscreteValueVect.py"
13: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
13: Test timeout computed to be: 1500
test 14
Start 14: pyRealValueVect
14: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testRealValueVect.py"
14: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
14: Test timeout computed to be: 1500
test 15
Start 15: pySparseIntVect
15: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testSparseIntVect.py"
15: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
15: Test timeout computed to be: 1500
test 16
Start 16: pyFPB
16: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/testFPB.py"
16: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
16: Test timeout computed to be: 1500
7: [00:53:05] should not be silent
7: [00:53:05] should not be silent
7: Randomness seeded to: 41286562
7: [00:53:05] should not be silent
7: [00:53:05] should not be silent
7: [00:53:05] should not be silent
7: [00:53:05] should not be silent
7: [00:53:05] should not be silent
7: [00:53:05] should not be silent
7: [00:53:05] should not be silent
7: [00:53:05] should not be silent
7: ===============================================================================
7: All tests passed (26 assertions in 3 test cases)
7:
5/235 Test #7: logTestsCatch .......................... Passed 0.08 sec
test 17
Start 17: testTransforms
17: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/testTransforms
17: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
17: Test timeout computed to be: 1500
6: Randomness seeded to: 2076797278
6: ===============================================================================
6: All tests passed (32 assertions in 2 test cases)
6:
6/235 Test #6: dictTestsCatch ......................... Passed 0.10 sec
11: Randomness seeded to: 2925816392
11: ===============================================================================
11: All tests passed (3 assertions in 1 test case)
11:
7/235 Test #11: catchDataStructs ....................... Passed 0.08 sec
test 18
Start 18: testGrid
18: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/testGrid
18: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
18: Test timeout computed to be: 1500
test 19
Start 19: testRealValueGrid
19: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/testRealValueGrid
19: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
19: Test timeout computed to be: 1500
17: ****************************************
17: testPointND
17: ****************************************
17: testPointOps3D
17: ****************************************
17: testPointOps2D
17: ****************************************
17: test12D
17: ref1: 0.0445762 3.67928 ref2: 4.27385 0.149653
17: pt1: 3.65025 1.19748 pt2: 1.54099 0.145844
17: ****************************************
17: test23D
17: ****************************************
17: test3MatMultiply
17: Pt1: 1 0 0 Pt2: 2 0 0
17: -Pt1: -1 -0 -0
17: tp1: 0 0 0 tp2: 0 0 0
17: tp1: 0 0 0 tp2: 0 0 0
17: tp1: 0 0 3 tp2: 0 0 3
17: npt1: 0 0 3 npt2: 0 0 4
17: Pt1: 0 0 3 Pt2: 6.12323e-17 0 4
17: ****************************************
17: testFromQuaternion
17: ****************************************
8/235 Test #10: testMultiFPB ........................... Passed 0.12 sec
9/235 Test #17: testTransforms ......................... Passed 0.05 sec
test 20
Start 20: geometryTestsCatch
20: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/geometryTestsCatch
20: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry
20: Test timeout computed to be: 1500
test 21
Start 21: testPyGeometry
21: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/testGeometry.py"
21: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Geometry/Wrap
21: Test timeout computed to be: 1500
18: ***********************************************************
18: Testing Grid
18: ---------------------------------
18: testUniformGrid1
18:
18: ---------------------------------
18: testUniformGrid2
18:
18: ---------------------------------
18: testUniformGridPickling
18:
18: ---------------------------------
18: testGridOps
18:
18: ---------------------------------
18: testUniformGridIndexing
18:
1: cyclosporine a
1: RDKit 2D
1:
1: 85 85 0 0 0 0 0 0 0 0999 V2000
1: 1.4840 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.6174 -1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.6176 -2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.4860 -2.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.4912 -3.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.3504 -2.3385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.3352 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 3.1902 -0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 3.1580 0.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 4.0642 -1.2607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 4.9260 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 4.9144 0.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 5.7766 0.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 4.0008 0.8409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 3.8596 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.8162 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.2038 1.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.2560 3.1855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.5280 4.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.7128 4.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.8530 5.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.7676 4.5077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.0820 5.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.9744 4.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.8344 5.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.9792 3.6203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.8192 3.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.7974 3.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.7998 4.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -3.7790 3.0789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -3.8812 2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -3.1202 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.4194 2.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -3.0590 0.6211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -3.8626 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -3.8096 -0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -4.6470 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.9122 -1.3587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.8776 -2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.9982 -2.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.1382 -2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.9886 -3.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.1202 -4.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.2526 -3.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.6116 -4.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.2494 -2.8505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.1228 -5.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.2584 -5.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.6092 -5.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.2624 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.6018 -7.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.5982 -8.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.4624 -8.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.9906 -5.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.8520 -4.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -3.7288 -2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -3.7098 -3.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -4.6032 -2.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.0646 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -4.7362 0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -5.5794 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -5.5618 -0.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -6.4498 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.1628 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -4.7698 1.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -5.5952 2.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -6.4896 1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -5.5292 3.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -4.6054 3.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.7186 2.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.0328 6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 3.4396 4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 3.4580 5.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 4.3220 6.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.5836 6.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.2682 3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 4.6630 2.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 5.5876 2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 4.5648 3.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 5.7968 -1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 6.6786 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 7.5218 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 6.7252 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 4.0970 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 3.2220 -2.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 3 2 1 1
1: 3 4 1 0
1: 4 5 2 0
1: 4 6 1 0
1: 6 7 1 0
1: 7 8 1 0
1: 8 9 2 0
1: 8 10 1 0
1: 10 11 1 0
1: 11 12 1 0
1: 12 13 2 0
1: 12 14 1 0
1: 14 15 1 0
1: 15 16 1 0
1: 16 17 2 0
1: 16 18 1 0
1: 18 19 1 0
1: 19 20 1 0
1: 20 21 2 0
1: 20 22 1 0
1: 22 23 1 0
1: 23 24 1 0
1: 24 25 2 0
1: 24 26 1 0
1: 26 27 1 0
1: 27 28 1 0
1: 28 29 2 0
1: 28 30 1 0
1: 30 31 1 0
1: 31 32 1 0
1: 32 33 2 0
1: 32 34 1 0
1: 34 35 1 0
1: 35 36 1 0
1: 36 37 2 0
1: 36 38 1 0
1: 38 39 1 0
1: 39 40 1 0
1: 40 41 2 0
1: 40 42 1 0
1: 43 42 1 6
1: 43 44 1 0
1: 44 45 2 0
1: 44 46 1 0
1: 43 47 1 0
1: 47 48 1 0
1: 48 49 1 6
1: 48 50 1 0
1: 50 51 1 0
1: 51 52 2 0
1: 52 53 1 0
1: 47 54 1 1
1: 42 55 1 0
1: 39 56 1 6
1: 56 57 1 0
1: 56 58 1 0
1: 38 59 1 0
1: 35 60 1 6
1: 60 61 1 0
1: 61 62 1 0
1: 61 63 1 0
1: 34 64 1 0
1: 31 65 1 6
1: 65 66 1 0
1: 66 67 1 0
1: 66 68 1 0
1: 30 69 1 0
1: 27 70 1 6
1: 23 71 1 6
1: 19 72 1 6
1: 72 73 1 0
1: 73 74 1 0
1: 73 75 1 0
1: 18 76 1 0
1: 15 77 1 6
1: 77 78 1 0
1: 77 79 1 0
1: 11 80 1 6
1: 80 81 1 0
1: 81 82 1 0
1: 81 83 1 0
1: 10 84 1 0
1: 6 85 1 0
1: 46 3 1 0
1: M END
1:
1: single-double
1: RDKit 2D
1:
1: 17 16 0 0 0 0 0 0 0 0999 V2000
1: -6.9282 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -6.0618 0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -5.1962 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -4.3298 0.2682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -3.4642 -0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.5978 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.7322 -0.2340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.8658 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.0002 -0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.8662 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.7318 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.5982 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 3.4638 -0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 4.3302 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 5.1958 -0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 6.0622 0.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: 6.9278 -0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 3 4 1 0
1: 4 5 1 0
1: 5 6 2 3
1: 6 7 1 0
1: 7 8 1 0
1: 8 9 1 0
1: 9 10 1 0
1: 10 11 2 3
1: 11 12 1 0
1: 12 13 2 3
1: 13 14 1 0
1: 14 15 2 3
1: 15 16 1 0
1: 16 17 1 0
1: M END
1:
1: cis-trans
1: RDKit 2D
1:
1: 10 9 0 0 0 0 0 0 0 0999 V2000
1: -3.6370 -0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1: -2.7706 -0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.9050 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.0386 -0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.1730 -0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.6934 -0.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.5590 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.5582 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 2.4238 1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 3.2902 0.8026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 2 0
1: 3 4 1 0
1: 4 5 2 0
1: 5 6 1 0
1: 6 7 2 0
1: 7 8 1 0
1: 8 9 2 0
1: 9 10 1 0
1: M END
1:
1: admntn
1: RDKit 2D
1:
1: 10 12 0 0 0 0 0 0 0 0999 V2000
1: 1.3505 -0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.5267 -1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.4629 -1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.7523 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -1.4741 0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.4761 0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.3505 1.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1.0611 0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 0.0643 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: -0.1877 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 3 4 1 0
1: 4 5 1 0
1: 5 6 1 0
1: 6 7 1 0
1: 7 8 1 0
1: 8 9 1 0
1: 6 10 1 0
1: 8 1 1 0
1: 9 4 1 0
1: 10 2 1 0
1: M END
1:
1: github 4845 - nan coordinates but no crash
1: RDKit 2D
1:
1: 42 44 0 0 0 0 0 0 0 0999 V2000
1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan O 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan O 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0
1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0
1: 1 2 1 0
1: 2 3 1 0
1: 2 4 2 0
1: 4 5 1 0
1: 5 6 3 0
1: 6 7 1 0
1: 7 8 2 0
1: 8 9 1 0
1: 9 10 3 0
1: 10 11 1 0
1: 11 12 2 0
1: 12 13 1 0
1: 13 14 3 0
1: 14 15 1 0
1: 15 16 2 0
1: 16 17 1 0
1: 16 18 1 0
1: 12 19 1 0
1: 19 20 2 0
1: 20 21 1 0
1: 20 22 1 0
1: 19 23 1 0
1: 23 24 3 0
1: 24 25 1 0
1: 25 26 1 0
1: 26 27 2 0
1: 27 28 2 0
1: 26 29 1 0
1: 29 30 3 0
1: 8 31 1 0
1: 31 32 2 0
1: 32 33 1 0
1: 32 34 1 0
1: 31 35 1 0
1: 35 36 3 0
1: 36 37 1 0
1: 37 38 2 0
1: 37 39 1 0
1: 39 40 2 0
1: 40 41 1 0
1: 40 42 1 0
1: 39 4 1 0
1: 15 7 1 0
1: 30 11 1 0
1: M END
1:
20: Randomness seeded to: 12323907
20: ===============================================================================
20: All tests passed (50 assertions in 5 test cases)
20:
10/235 Test #18: testGrid ............................... Passed 0.08 sec
11/235 Test #20: geometryTestsCatch ..................... Passed 0.04 sec
12/235 Test #1: testCoordGen ........................... Passed 0.19 sec
19: ***********************************************************
19: Testing RealValueGrid3D
19: ---------------------------------
19: test1UniformRealValueGrid3D
19:
19: ---------------------------------
19: test2UniformRealValueGrid3DPickling
19:
19: ---------------------------------
19: test3UniformRealValueGrid3DIndexing
19:
19: ---------------------------------
19: test4UniformRealValueGrid3DOps
19:
13/235 Test #19: testRealValueGrid ...................... Passed 0.06 sec
test 22
Start 22: testMatrices
22: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/testMatrices
22: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics
22: Test timeout computed to be: 1500
test 23
Start 23: testConrec
23: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/testConrec
23: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics
23: Test timeout computed to be: 1500
test 24
Start 24: testAlignment
24: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment/testAlignment
24: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment
24: Test timeout computed to be: 1500
test 25
Start 25: pyAlignment
25: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap/testAlignment.py"
25: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap
25: Test timeout computed to be: 1500
13: ......
13: ----------------------------------------------------------------------
13: Ran 6 tests in 0.006s
13:
13: OK
22: [00:53:05] -----------------------------------------
22: [00:53:05] Testing RDNumerics: vectors and matrices Code
22: [00:53:05] ---------------------------------------
22: [00:53:05] test1Vector
22: [00:53:05] ---------------------------------------
22: [00:53:05] test2Matrix
22: [00:53:05] ---------------------------------------
22: [00:53:05] test3SquareMatrix
22: [00:53:05] ---------------------------------------
22: [00:53:05] test4SymmMatrix
23: Randomness seeded to: 2379636594
23: ===============================================================================
23: All tests passed (76 assertions in 3 test cases)
23:
24: -----------------------------------------
24: Testing Alignment Code
24: ---------------------------------------
24: testBasic
24: ---------------------------------------
24: testTriangle
24: ---------------------------------------
24: testFourPts
24: ---------------------------------------
24: testReflection
24: ---------------------------------------
14/235 Test #23: testConrec ............................. Passed 0.04 sec
15/235 Test #24: testAlignment .......................... Passed 0.02 sec
test 26
Start 26: testOptimizer
26: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer/testOptimizer
26: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Numerics/Optimizer
26: Test timeout computed to be: 1500
test 27
Start 27: ForceFieldsCatch
27: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/ForceFieldsCatch
27: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField
27: Test timeout computed to be: 1500
15: .........
15: ----------------------------------------------------------------------
15: Ran 9 tests in 0.004s
15:
15: OK
26: -------------------------------------
26: Testing linear search.
26: done
26: -------------------------------------
26: Testing BFGS optimization.
26: done
16/235 Test #13: pyDiscreteValueVect .................... Passed 0.21 sec
17/235 Test #22: testMatrices ........................... Passed 0.08 sec
18/235 Test #26: testOptimizer .......................... Passed 0.02 sec
test 28
Start 28: testUFFForceField
28: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/UFF/testUFFForceField
28: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/UFF
28: Test timeout computed to be: 1500
test 29
Start 29: testMMFFForceField
29: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/MMFF/testMMFFForceField
29: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/MMFF
29: Test timeout computed to be: 1500
test 30
Start 30: pyForceFieldConstraints
30: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap/testConstraints.py"
30: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ForceField/Wrap
30: Test timeout computed to be: 1500
16: .........
16: ----------------------------------------------------------------------
16: Ran 9 tests in 0.054s
16:
16: OK
2: ....
2: ----------------------------------------------------------------------
2: Ran 4 tests in 0.024s
2:
2: OK
27: Randomness seeded to: 553478856
27: ===============================================================================
27: All tests passed (20 assertions in 2 test cases)
27:
14: ......
14: ----------------------------------------------------------------------
14: Ran 6 tests in 0.005s
14:
14: OK
28: -------------------------------------
28: Unit tests for force field basics.
28: done
28: -------------------------------------
28: Unit tests for basics of UFF bond-stretch terms.
28: done
28: -------------------------------------
28: Unit tests for UFF bond-stretch terms.
28: done
28: -------------------------------------
28: Unit tests for basics of UFF angle terms.
28: done
28: -------------------------------------
28: Unit tests for UFF angle-bend terms.
28: theta = 3.14159; theta0 = 3.14159
28: theta = 2.094395, param1.theta0 = 2.094395
28: done
28: -------------------------------------
28: Test Simple UFF molecule optimizations.
28: done
28: -------------------------------------
28: Unit tests for UFF nonbonded terms.
28: done
28: -------------------------------------
28: Test UFF torsional terms.
28: done
28: -------------------------------------
28: Test UFF Parameter objects
28: -------------------------------------
28: Test Simple UFF molecule optimization, part 2.
28: done
28: -------------------------------------
28: Test UFF Torsion Conflicts.
28: C 0.4783 -0.7477 -0.0753
28: C -0.5465 -0.0176 0.3519
28: C -0.5114 1.4472 0.0870
28: H -1.5201 -0.4838 0.2485
28: H 0.4696 1.8363 0.3367
28: O -1.2618 1.9423 0.6934
28: F -0.7163 1.6298 -0.9622
28: done
28: -------------------------------------
28: Unit tests for UFF distance constraint terms.
28: done
28: -------------------------------------
28: Unit tests for all UFF constraint terms.
29: -------------------------------------
29: Official MMFF validation suite.
19/235 Test #15: pySparseIntVect ........................ Passed 0.25 sec
20/235 Test #27: ForceFieldsCatch ....................... Passed 0.06 sec
test 31
Start 31: testDistGeom
31: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/testDistGeom
31: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom
31: Test timeout computed to be: 1500
test 32
Start 32: pyDistGeom
32: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DistGeom/Wrap/rough_test.py"
32: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DistGeom/Wrap
32: Test timeout computed to be: 1500
28: done
28: -------------------------------------
28: Unit tests for copying UFF ForceFields.
28: done
28: -------------------------------------
28: Unit test for UFF butane scan.
21/235 Test #2: pyCoordGen ............................. Passed 0.35 sec
22/235 Test #14: pyRealValueVect ........................ Passed 0.28 sec
31: ***********************************************************
31: test1
31: ***********************************************************
31: testIssue216
31: Rows: 4 Columns: 4
31: 0 1 1 1
31: 1 0 1 1
31: 1 1 0 1
31: 1 1 1 0
31: ***********************************************************
31:
23/235 Test #31: testDistGeom ........................... Passed 0.03 sec
test 33
Start 33: graphmolTest1
33: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
33: Test timeout computed to be: 1500
test 34
Start 34: graphmolcpTest
34: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolcpTest
34: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
34: Test timeout computed to be: 1500
24/235 Test #16: pyFPB .................................. Passed 0.29 sec
test 35
Start 35: graphmolqueryTest
35: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolqueryTest
35: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
35: Test timeout computed to be: 1500
test 36
Start 36: graphmolMolOpsTest
36: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMolOpsTest
36: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
36: Test timeout computed to be: 1500
21: ....................
21: ----------------------------------------------------------------------
21: Ran 20 tests in 0.028s
21:
21: OK
21: Testing Geometry wrapper
33: Atoms:
33: 0 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb:
33: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb:
33: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb:
33: 3 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb:
33: 4 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb:
33: 5 6 C chg: 0 deg: 1 exp: 3 imp: 1 hyb:
33: 6 6 C chg: 0 deg: 2 exp: 4 imp: 0 hyb:
33: 7 7 N chg: 0 deg: 2 exp: 1 imp: 2 hyb: arom?: 1 query: AtomAtomicNum
33: 8 22 Ti chg: 0 deg: 1 exp: N/A imp: N/A hyb:
33: Bonds:
33: 0 0->1 order: 1
33: 1 1->2 order: 2
33: 2 2->3 order: 1
33: 3 0->4 order: 1
33: 4 5->6 order: 3
33: 5 6->7 order: 1
33: 6 7->8 order: 2
33: [00:53:05]
33:
33: ****
33: Pre-condition Violation
33: bond already exists
33: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp
33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
33: ----------
33: Stacktrace:
33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
33: 3# 0x0000AAAAB05CB7A0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 4# 0x0000AAAAB05C3DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 5# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
33: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
33: 7# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: ----------
33: ****
33:
33: [00:53:05]
33:
33: ****
33: Pre-condition Violation
33: bond already exists
33: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp
33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
33: ----------
33: Stacktrace:
33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
33: 3# 0x0000AAAAB05CB9C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 4# 0x0000AAAAB05C3DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 5# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
33: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
33: 7# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: ----------
33: ****
33:
33: [00:53:05]
33:
33: ****
33: Pre-condition Violation
33: attempt to add self-bond
33: Violation occurred on line 498 in file ./Code/GraphMol/RWMol.cpp
33: Failed Expression: atomIdx1 != atomIdx2
33: ----------
33: Stacktrace:
33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
33: 3# 0x0000AAAAB05CBAB4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 4# 0x0000AAAAB05C3DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 5# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
33: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
33: 7# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: ----------
33: ****
33:
33: [00:53:05]
33:
33: ****
33: Pre-condition Violation
33: bond already exists
33: Violation occurred on line 419 in file ./Code/GraphMol/ROMol.cpp
33: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second)
33: ----------
33: Stacktrace:
33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
33: 3# 0x0000AAAAB05CBAF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 4# 0x0000AAAAB05C3DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 5# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
33: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
33: 7# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: ----------
33: ****
33:
33: [00:53:05]
33:
33: ****
33: Pre-condition Violation
33: attempt to add self-bond
33: Violation occurred on line 417 in file ./Code/GraphMol/ROMol.cpp
33: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()
33: ----------
33: Stacktrace:
33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
33: 3# 0x0000AAAAB05CBC3C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 4# 0x0000AAAAB05C3DDC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 5# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
33: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
33: 7# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: ----------
33: ****
33:
33: [00:53:05] Explicit valence for atom # 0 B, 4, is greater than permitted
33: [00:53:05] Explicit valence for atom # 0 B, 4, is greater than permitted
33: [00:53:05]
33:
33: ****
33: Post-condition Violation
33: Element 'Xx' not found
33: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
33: Failed Expression: anum > -1
33: ----------
33: Stacktrace:
33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 3# 0x0000AAAAB05F6868 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 4# 0x0000AAAAB05DA358 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 5# 0x0000AAAAB05C3DE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 6# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
33: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
33: 8# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: ----------
33: ****
33:
33: [00:53:05] -------------------------------------
33: [00:53:05] Test github381: thread-safe initialization of the periodic table
34:
34:
34:
34: COPY
25: .....
25: ----------------------------------------------------------------------
25: Ran 5 tests in 0.006s
25:
25: OK
25: Testing Alignment Wrapper code:
35: [00:53:05] ---------------------- Test1
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test2
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test3
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test4
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test5
35: [00:53:05] Done!
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test issue 2892580
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test github issue 53: query molecules not matching [R]
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test queries using qualifiers instead of ==
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test Github issue 165: radicals not used in atom-atom matching
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test extra atom queries
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test extra bond queries
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test num heteroatom neighbor queries
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test atom type queries
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Test Github #2471: dummy atom queries are flagged as complex
35: [00:53:05] Done!
35: [00:53:05] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery()
35: [00:53:05] Done!
25/235 Test #21: testPyGeometry ......................... Passed 0.25 sec
26/235 Test #34: graphmolcpTest ......................... Passed 0.05 sec
27/235 Test #35: graphmolqueryTest ...................... Passed 0.04 sec
test 37
Start 37: graphmoltestChirality
37: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestChirality
37: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
37: Test timeout computed to be: 1500
test 38
Start 38: graphmoltestPickler
38: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestPickler
38: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
38: Test timeout computed to be: 1500
test 39
Start 39: graphmoltestPicklerGlobalSetting
39: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting
39: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
39: Test timeout computed to be: 1500
29:
29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf...
33: [00:53:05] done
33: [00:53:05] -------------------------------------
33: [00:53:05] Test github1041: Segfault for atom with no owner (expect some warnings)
33: [00:53:05]
33:
33: ****
33: Pre-condition Violation
33: no owner
33: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
33: Failed Expression: dp_mol
33: ----------
33: Stacktrace:
33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 2# 0x0000AAAAB05EAA58 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 3# 0x0000AAAAB05C3E0C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 4# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
33: 5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
33: 6# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: ----------
33: ****
33:
33: [00:53:05]
33:
33: ****
33: Pre-condition Violation
33: no owner
33: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h
33: Failed Expression: dp_mol
33: ----------
33: Stacktrace:
33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 2# 0x0000AAAAB05EAE34 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 3# 0x0000AAAAB05C3E0C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 4# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
33: 5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
33: 6# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: ----------
33: ****
33:
33: [00:53:05] done
33: [00:53:05] -------------------------------------
33: [00:53:05] Test github1041: Segfault for atom with no owner (expect some warnings)
33: [00:53:05]
33:
33: ****
33: Pre-condition Violation
33: no owner
33: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
33: Failed Expression: dp_mol
33: ----------
33: Stacktrace:
33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 2# 0x0000AAAAB05EAA58 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 3# 0x0000AAAAB05C3E10 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 4# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
33: 5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
33: 6# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: ----------
33: ****
33:
33: [00:53:05]
33:
33: ****
33: Pre-condition Violation
33: no owner
33: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h
33: Failed Expression: dp_mol
33: ----------
33: Stacktrace:
33: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
33: 2# 0x0000AAAAB05EAE34 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 3# 0x0000AAAAB05C3E10 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: 4# 0x0000FFFFB013229C in /lib/aarch64-linux-gnu/libc.so.6
33: 5# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
33: 6# 0x0000AAAAB05C3EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
33: ----------
33: ****
33:
33: [00:53:05] done
33: [00:53:05] -------------------------------------
33: [00:53:05] Test github1453: RWMol.clear() should reset the numBonds count.
33: [00:53:05] done
33: [00:53:05] -------------------------------------
33: [00:53:05] Test range-based for loops.
33: [00:53:05] done
33: [00:53:05] -------------------------------------
33: [00:53:05] Test github1642: Atom index type is too low for big molecules.
36: 1 1 2
36: 1 1 1
36: 2 1 0.75
36: path: 2
36: [00:53:05] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
36: [00:53:05] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
36: [00:53:05] Explicit valence for atom # 0 B, 5, is greater than permitted
36: [00:53:05] Explicit valence for atom # 1 C, 5, is greater than permitted
36: [00:53:05] Explicit valence for atom # 1 C, 5, is greater than permitted
36: [00:53:05] Explicit valence for atom # 1 C, 5, is greater than permitted
36: [00:53:05] Explicit valence for atom # 1 Si, 7, is greater than permitted
28: done
37: --------------------------
37: --------------------------
37: C/C=C/C(C)Cl
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing String Pickle Roundtrips.
28/235 Test #25: pyAlignment ............................ Passed 0.22 sec
test 40
Start 40: graphmolIterTest
40: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolIterTest
40: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
40: Test timeout computed to be: 1500
39: [00:53:05] done
37: [00:53:05] Conflicting single bond directions around double bond at index 2.
37: [00:53:05] BondStereo set to STEREONONE and single bond directions set to NONE.
37: [00:53:05] Conflicting single bond directions around double bond at index 4.
37: [00:53:05] BondStereo set to STEREONONE and single bond directions set to NONE.
37: [00:53:05] Conflicting single bond directions around double bond at index 15.
37: [00:53:05] BondStereo set to STEREONONE and single bond directions set to NONE.
37: [00:53:05] Conflicting single bond directions around double bond at index 2.
37: [00:53:05] BondStereo set to STEREONONE and single bond directions set to NONE.
37: [00:53:05] Conflicting single bond directions around double bond at index 1.
37: [00:53:05] BondStereo set to STEREONONE and single bond directions set to NONE.
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing reading existing pickle file (v2).
29/235 Test #28: testUFFForceField ...................... Passed 0.20 sec
30/235 Test #39: graphmoltestPicklerGlobalSetting ....... Passed 0.03 sec
test 41
Start 41: hanoiTest
41: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/hanoiTest
41: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
41: Test timeout computed to be: 1500
test 42
Start 42: graphmolMemTest1
42: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMemTest1
42: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
42: Test timeout computed to be: 1500
32: ......
32: ----------------------------------------------------------------------
32: Ran 6 tests in 0.002s
32:
32: OK
37: --------------------------------------------------
36: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1
36: [00:53:05] non-ring atom 0 marked aromatic
36: [00:53:05] non-ring atom 0 marked aromatic
36: [00:53:05] Conflicting single bond directions around double bond at index 17.
36: [00:53:05] BondStereo set to STEREONONE and single bond directions set to NONE.
36: starting ring finding
36: done
36: starting ring finding
36: done
36: starting ring finding
36: done
36: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C
36: starting sanitization
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing combining molecules using pickles.
38: Atoms:
38: 0 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3
38: 1 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3
38: 2 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3
38: 3 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3
38: 4 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3
38: 5 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: SP3
38: 6 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: SP3
38: Bonds:
38: 0 0->1 order: 1
38: 1 1->2 order: 1
38: 2 2->0 order: 1
38: 3 3->4 order: 1
38: 4 4->5 order: 1
38: 5 5->6 order: 1
38: 6 6->3 order: 1
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing Issue164: Roundtrip Pickle Failure.
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing Issue219: Pickle Failure with Conformations.
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing Issue220: Pickle problems with bond stereochemistry.
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing query serialization.
38: [00:53:05] C=[$(C=O)]
38: [00:53:05] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl]
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing radical handling in pickles.
38: [00:53:05] done
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing sf.net issue 2788233.
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing sf.net issue 3202580.
38: mass! 13.0034
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing sf.net issue 3316407.
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing sf.net issue 3496759.
38: smi match: *C *C
38: smi match: **=* **=*
38: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O
38: smi match: *OS(=O)OC *OS(=O)OC
38: smi match: *S(=O)(=O)OC *S(=O)(=O)OC
38: smi match: O=COC=O O=COC=O
38: smi match: OO OO
38: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F
38: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1
38: smi match: nnnOC=O nnnOC=O
31/235 Test #37: graphmoltestChirality .................. Passed 0.09 sec
32/235 Test #40: graphmolIterTest ....................... Passed 0.05 sec
38: smi match: *=C=N *=C=N
38: smi match: OS(=O)(=O)C(F)(F)F OS(=O)(=O)C(F)(F)F
38: smi match: SP(S)=S SP(S)=S
38: smi match: NP(N)(N)=O NP(N)(N)=O
38: smi match: cN=[N+]=[N-] cN=[N+]=[N-]
38: smi match: *CC=O *CC=O
38: smi match: NNC=O NNC=O
38: smi match: * *
38: smi match: C=P C=P
38: smi match: CC(=N)Cl CC(=N)Cl
38: smi match: N=O N=O
38: smi match: ** **
38: smi match: N=C=N N=C=N
38: smi match: [C-]#[NH+] [C-]#[NH+]
38: smi match: O=CON(C=O)C=O O=CON(C=O)C=O
test 43
Start 43: resMolSupplierTest
43: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/resMolSupplierTest
43: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
43: Test timeout computed to be: 1500
test 44
Start 44: molBundleTest
44: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/molBundleTest
44: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
44: Test timeout computed to be: 1500
38: smi match: N#CC[OH] N#CC[OH]
38: smi match: N#CC=O N#CC=O
38: smi match: N#CS(=O)=O N#CS(=O)=O
38: smi match: CCOP(=O)(C#N)OCC CCOP(=O)(C#N)OCC
38: smi match: N#CN=N N#CN=N
38: smi match: N=NCC=O N=NCC=O
38: smi match: CCCCCCC CCCCCCC
38: smi match: OCCOCCO OCCOCCO
38: smi match: SS SS
38: smi match: [SH] [SH]
38: smi match: *1CC1 *1CC1
38: smi match: [OH]ccc([OH])c[OH] [OH]ccc([OH])c[OH]
38: smi match: [OH]cc([OH])c[OH] [OH]cc([OH])c[OH]
38: smi match: NC(=S)N=N NC(=S)N=N
38: smi match: N#CS N#CS
38: smi match: cC[N+] cC[N+]
38: smi match: C*C=S C*C=S
38: smi match: N[CH2]C#N N[CH2]C#N
38: smi match: O=C1CCO1 O=C1CCO1
38: smi match: O=P([OH])OP(=O)[OH] O=P([OH])OP(=O)[OH]
38: smi match: O=C1CCN1 O=C1CCN1
38: smi match: O=C1C~CC(=O)C~C1 O=C1C~CC(=O)C~C1
38: smi match: C=CC=CC=CC=C C=CC=CC=CC=C
38: smi match: C1CCC(OC2CCC3CCCCC3C2)OC1 C1CCC(OC2CCC3CCCCC3C2)OC1
38: smi match: O=C1NCC2CCCCC21 O=C1NCC2CCCCC21
38: smi match: O=C1CCCC(=O)N1 O=C1CCCC(=O)N1
38: smi match: C1CCC(C2CCCO2)OC1 C1CCC(C2CCCO2)OC1
38: smi match: [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1
38: smi match: C1CC2CCC(O1)O2 C1CC2CCC(O1)O2
38: smi match: cN(=O)~O cN(=O)~O
38: smi match: *[CH2]N1C(=O)CCC1=O *[CH2]N1C(=O)CCC1=O
38: smi match: N~NC=O N~NC=O
38: smi match: *=N~C *=N~C
38: smi match: CO*(=O)=O CO*(=O)=O
38: smi match: * *
38: smi match: * *
38: smi match: *C=C *C=C
38: smi match: N#CS N#CS
38: smi match: *C=S *C=S
38: smi match: *N *N
38: smi match: *C(=C)C=O *C(=C)C=O
38: smi match: *C#C *C#C
38: smi match: N#CCO N#CCO
38: smi match: O=N(=O)CCO O=N(=O)CCO
38: smi match: N=CS N=CS
38: smi match: O=CNC(O)C=O O=CNC(O)C=O
38: smi match: C=C(C=O)C=O C=C(C=O)C=O
38: smi match: N=CC=O N=CC=O
38: smi match: *C(C=O)C=O *C(C=O)C=O
38: smi match: *C(C=O)=C(*)C=O *C(C=O)=C(*)C=O
38: smi match: O=CC=CC=O O=CC=CC=O
38: smi match: O=CN(O)C=O O=CN(O)C=O
38: smi match: O=CN(S)C=O O=CN(S)C=O
38: smi match: O=CNC=O O=CNC=O
38: smi match: O=CNN=O O=CNN=O
38: smi match: O=CNNC=O O=CNNC=O
38: smi match: O=CNOC=O O=CNOC=O
38: smi match: O=CS O=CS
38: smi match: O=CSC=S O=CSC=S
38: smi match: S=CS S=CS
38: smi match: C=O C=O
38: smi match: *C=N *C=N
38: smi match: CCCCCCC CCCCCCC
38: smi match: CN=O CN=O
38: smi match: CS(=O)(=O)O CS(=O)(=O)O
38: smi match: O=C1CCO1 O=C1CCO1
38: smi match: C=C(S)[SH]=O C=C(S)[SH]=O
38: smi match: C=CCO C=CCO
38: smi match: C=CC=N C=CC=N
38: smi match: C=CC=O C=CC=O
38: smi match: C=CC(=O)C=C C=CC(=O)C=C
38: smi match: C=CC=S C=CC=S
38: smi match: C=CC(=S)S C=CC(=S)S
38: smi match: *C=C(*)C=C *C=C(*)C=C
38: smi match: C=CC=N C=CC=N
38: smi match: *N(*)C=C *N(*)C=C
38: smi match: C=CN(=O)=O C=CN(=O)=O
38: smi match: C=CN(O)=O C=CN(O)=O
38: smi match: C=CO C=CO
38: smi match: C=COC=O C=COC=O
38: smi match: C=CS C=CS
38: smi match: C=C[SH](=O)=O C=C[SH](=O)=O
38: smi match: C=NCO C=NCO
38: smi match: C=NC=O C=NC=O
38: smi match: C=NN C=NN
38: smi match: C=NN=C C=NN=C
38: smi match: C=NO C=NO
38: smi match: C=NOC=O C=NOC=O
38: smi match: C=N=O C=N=O
38: smi match: N#CS N#CS
38: smi match: *CN=O *CN=O
38: smi match: NCN NCN
38: smi match: ON=CCN=O ON=CCN=O
38: smi match: NC(S)=N[SH](=O)=O NC(S)=N[SH](=O)=O
38: smi match: N=C(N)S N=C(N)S
38: smi match: NC(=O)Oc1ccccc1 NC(=O)Oc1ccccc1
38: smi match: NC=S NC=S
38: smi match: NC(N)=S NC(N)=S
38: smi match: C=CN C=CN
38: smi match: NOC=O NOC=O
38: smi match: C1CN1 C1CN1
38: smi match: O=C1NNNN1 O=C1NNNN1
38: smi match: N=C(N)C(=N)N N=C(N)C(=N)N
38: smi match: N=C(N)O N=C(N)O
38: smi match: N=C(N)C(=N)S N=C(N)C(=N)S
38: smi match: *C=N *C=N
38: smi match: N=CC=O N=CC=O
38: smi match: N=CS N=CS
38: smi match: N=C=N N=C=N
38: smi match: N=C=O N=C=O
38: smi match: N=C=S N=C=S
38: smi match: NOC(=O)O NOC(=O)O
38: smi match: *C(O)=S *C(O)=S
38: smi match: C=CO C=CO
38: smi match: ON=CC=NO ON=CC=NO
38: smi match: *C[SH](=O)=O *C[SH](=O)=O
38: smi match: OS(=O)=O OS(=O)=O
38: smi match: N#CS N#CS
38: smi match: C=C(S)S C=C(S)S
38: smi match: N=C(N)S N=C(N)S
38: smi match: N=C(S)S N=C(S)S
38: smi match: NC(=S)S NC(=S)S
38: smi match: O=CNS O=CNS
38: smi match: S S
38: smi match: [SiH4] [SiH4]
38: smi match: NS NS
38: smi match: NCN NCN
38: smi match: cC(c)(O)O cC(c)(O)O
38: smi match: *C(c)O *C(c)O
38: smi match: C=CS(c)(=O)=O C=CS(c)(=O)=O
38: smi match: cS(=O)(=O)O cS(=O)(=O)O
38: smi match: *c1ccccn1=O *c1ccccn1=O
38: smi match: *c1ccccn1 *c1ccccn1
38: smi match: *c1nccccn1 *c1nccccn1
38: smi match: C1COCOC1 C1COCOC1
38: smi match: C=S C=S
38: smi match: c=S c=S
38: smi match: S=CS S=CS
38: smi match: C=CN(=O)=O C=CN(=O)=O
38: smi match: C=CN(=O)O C=CN(=O)O
38: smi match: N=CC=O N=CC=O
38: smi match: C=CS C=CS
38: smi match: SC(S)(S)S SC(S)(S)S
38: smi match: OS(O)(O)O OS(O)(O)O
38: smi match: O=N(=O)C[SH](=O)=O O=N(=O)C[SH](=O)=O
38: smi match: O=N(O)C[SH](=O)=O O=N(O)C[SH](=O)=O
38: smi match: N#CS N#CS
38: smi match: C=NO C=NO
38: smi match: C=N[SH]=N C=N[SH]=N
38: smi match: O=C(S)S O=C(S)S
38: smi match: N=C(S)S N=C(S)S
38: smi match: N=C(=N)S N=C(=N)S
38: smi match: O=N=O O=N=O
38: smi match: O=NO O=NO
38: smi match: ONO ONO
38: smi match: C1SCS1 C1SCS1
38: smi match: N=C=S N=C=S
38: smi match: N=C=N N=C=N
38: smi match: C1N=N1 C1N=N1
38: smi match: *CS *CS
38: smi match: SC(S)=C(S)S SC(S)=C(S)S
38: smi match: N=CC=NO N=CC=NO
38: smi match: N#CCC#N N#CCC#N
38: smi match: CON=O CON=O
38: smi match: C=CN C=CN
38: smi match: C=N[SH](=O)=O C=N[SH](=O)=O
38: smi match: NN=O NN=O
38: smi match: NC(=O)S NC(=O)S
38: smi match: N#CS N#CS
38: smi match: NC(=O)C(N)=O NC(=O)C(N)=O
38: smi match: c=N c=N
38: smi match: C1COCO1 C1COCO1
38: smi match: C=NN[SH](=O)=O C=NN[SH](=O)=O
38: smi match: O=CC=O O=CC=O
38: smi match: O=CNOC=O O=CNOC=O
38: smi match: O=C1C=CC(=O)C=C1 O=C1C=CC(=O)C=C1
38: smi match: ONO ONO
38: smi match: ON(~O)~O ON(~O)~O
38: smi match: OC1COC(O)C1 OC1COC(O)C1
38: smi match: OC1CCOC1O OC1CCOC1O
38: smi match: OC1CCOC(O)C1 OC1CCOC(O)C1
38: smi match: N=[N+]=N N=[N+]=N
38: smi match: N#CN N#CN
38: smi match: C=NN=C C=NN=C
38: smi match: *CCN(C)C *CCN(C)C
38: smi match: CNN CNN
38: smi match: *CC *CC
38: smi match: OCS OCS
38: smi match: C1NO1 C1NO1
38: smi match: COS(C)(=O)=O COS(C)(=O)=O
38: smi match: C1CO1 C1CO1
38: smi match: *c1-c-c-ccN1 *c1-c-c-ccN1
38: smi match: *C(*)=C *C(*)=C
38: smi match: N#[NH+] N#[NH+]
38: smi match: C#NO C#NO
38: smi match: OOO OOO
38: smi match: OO OO
38: smi match: O~Cl(~O)~O O~Cl(~O)~O
38: smi match: O~Cl(~O)(~O)~O O~Cl(~O)(~O)~O
38: smi match: [OH]~C(~O)~O [OH]~C(~O)~O
38: smi match: *N *N
38: smi match: *P *P
38: smi match: *S *S
38: smi match: *C(*)(*)C=C *C(*)(*)C=C
38: smi match: *C(*)(*)C=C *C(*)(*)C=C
38: smi match: *C(*)C=C *C(*)C=C
38: smi match: *CC=C *CC=C
38: smi match: CN=C=O CN=C=O
38: smi match: CN=C=S CN=C=S
38: smi match: *C=O *C=O
38: smi match: N=N N=N
36: done
36: starting sanitization
36: done
36: starting ring finding
36: done
36: starting ring finding
36: done
36: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1
36: [00:53:05] WARNING: not removing hydrogen atom with dummy atom neighbors
36: -------------------------------
36: [00:53:05] Explicit valence for atom # 0 N, 4, is greater than permitted
36: [00:53:05] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
36: [00:53:05] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10
36: [00:53:05] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
36: [00:53:05] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
36: [00:53:05] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
36: [00:53:05] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
36: [00:53:05] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
36: [00:53:05] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
36:
36: [00:53:05] WARNING: not removing hydrogen atom with dummy atom neighbors
41: [00:53:05] Testing the hanoi sort
41: [00:53:05] populating vectors
33/235 Test #32: pyDistGeom ............................. Passed 0.20 sec
34/235 Test #42: graphmolMemTest1 ....................... Passed 0.04 sec
38: smi match: SS SS
38: smi match: O=C1CCNC(=O)O1 O=C1CCNC(=O)O1
38: smi match: CSC(C)=N CSC(C)=N
38: smi match: COC(C)=N COC(C)=N
38: smi match: C=C=C C=C=C
38: smi match: *C(=O)OC=O *C(=O)OC=O
38: smi match: C=CC#N C=CC#N
38: smi match: C=CC=O C=CC=O
38: smi match: CC=CC(C)=O CC=CC(C)=O
38: smi match: CC=CC(=O)OCC CC=CC(=O)OCC
38: smi match: C#CC#N C#CC#N
38: smi match: C#CC=O C#CC=O
38: smi match: C#CC(=O)OCC C#CC(=O)OCC
38: smi match: C#CC=O C#CC=O
38: smi match: *C(=O)C#C *C(=O)C#C
38: smi match: C=CC=O C=CC=O
38: smi match: *C(*)(*)O *C(*)(*)O
38: smi match: COS(O)(=O)=O COS(O)(=O)=O
38: smi match: CS(=O)(=O)[O-] CS(=O)(=O)[O-]
38: smi match: NS(=O)(=O)[O-] NS(=O)(=O)[O-]
38: smi match: *C(*)(*)C=O *C(*)(*)C=O
38: smi match: *C(*)(*)C=O *C(*)(*)C=O
38: smi match: *C(*)C=O *C(*)C=O
38: smi match: *CC=O *CC=O
38: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O
38: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O
38: smi match: *C(*)[SH](=O)=O *C(*)[SH](=O)=O
38: smi match: *C[SH](=O)=O *C[SH](=O)=O
test 45
Start 45: testSGroup
45: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/testSGroup
45: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
45: Test timeout computed to be: 1500
test 46
Start 46: test-valgrind
46: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/test-valgrind
46: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
46: Test timeout computed to be: 1500
38: smi match: * *
38: smi match: *1CC1 *1CC1
38: smi match: O=COC=O O=COC=O
38: smi match: N=C=O N=C=O
38: smi match: N=C=S N=C=S
38: smi match: O~O O~O
38: smi match: N~[SiH4] N~[SiH4]
38: smi match: *P *P
38: smi match: C=N=N C=N=N
38: smi match: *N#[NH+] *N#[NH+]
38: smi match: *S* *S*
38: smi match: ** **
38: smi match: *CC* *CC*
38: smi match: *O[SiH3] *O[SiH3]
38: smi match: *OS(*)~O *OS(*)~O
38: smi match: N~N~O N~N~O
38: smi match: *N(~O)(~O)~O *N(~O)(~O)~O
38: smi match: *[N+](=C)[O-] *[N+](=C)[O-]
38: smi match: * *
38: smi match: *C(*)NCN(*)* *C(*)NCN(*)*
38: smi match: *OCC#N *OCC#N
38: smi match: **C=C **C=C
38: smi match: C=C[O-] C=C[O-]
38: smi match: C=CO C=CO
38: smi match: * *
38: smi match: O=CON1C(=O)CCC1=O O=CON1C(=O)CCC1=O
38: smi match: O=COn1ccnc1 O=COn1ccnc1
38: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F
38: smi match: CC(C)(C)S CC(C)(C)S
38: smi match: [CH2][CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~C [CH2][CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~C
38: smi match: [CH]=O [CH]=O
38: smi match: C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C
38: smi match: SS SS
38: smi match: [SH] [SH]
38: smi match: *C* *C*
38: smi match: * *
38: smi match: C[nH3+] C[nH3+]
38: smi match: cC(=N)[NH2] cC(=N)[NH2]
38: smi match: O=CN[OH] O=CN[OH]
38: smi match: NN NN
38: smi match: * *
38: smi match: *OP(=O)O* *OP(=O)O*
38: smi match: * *
38: smi match: * *
38: smi match: * *
38: smi match: *N=C(*)* *N=C(*)*
38: smi match: *C(*)(*)C=O *C(*)(*)C=O
38: smi match: CSC=O CSC=O
38: smi match: * *
38: smi match: O=CCl O=CCl
38: smi match: *** ***
38: smi match: *C=O *C=O
38: smi match: C[OH] C[OH]
38: smi match: C[OH] C[OH]
38: smi match: C[OH] C[OH]
38: smi match: C[OH] C[OH]
38: smi match: C[CH]=O C[CH]=O
38: smi match: *=* *=*
38: smi match: *C *C
38: smi match: C#C C#C
38: smi match: *[CH]C=C *[CH]C=C
38: smi match: cCC(=O)[OH] cCC(=O)[OH]
38: smi match: *C(*)(*)C(=O)[OH] *C(*)(*)C(=O)[OH]
38: smi match: CC(=O)C(=O)[OH] CC(=O)C(=O)[OH]
38: smi match: C=CC(=O)[OH] C=CC(=O)[OH]
38: smi match: N#CC(=O)[OH] N#CC(=O)[OH]
38: smi match: O=C([OH])CN(~O)~O O=C([OH])CN(~O)~O
38: smi match: *N(*)C*=O *N(*)C*=O
38: smi match: O=*C[OH] O=*C[OH]
38: smi match: *=C*=O *=C*=O
38: smi match: *=CC#N *=CC#N
38: smi match: *C[OH] *C[OH]
38: smi match: ** **
38: smi match: *C[OH] *C[OH]
38: smi match: *C(*)=O *C(*)=O
38: smi match: * *
38: smi match: *CC(=O)[OH] *CC(=O)[OH]
38: smi match: CC(=O)OC(C)=O CC(=O)OC(C)=O
38: smi match: *c *c
38: smi match: CN(C)c CN(C)c
38: smi match: c c
38: smi match: *c *c
38: smi match: *c *c
38: smi match: **:*cF **:*cF
38: smi match: cB([OH])[OH] cB([OH])[OH]
38: smi match: N~N~N N~N~N
38: smi match: *N=N* *N=N*
38: smi match: *CC[OH] *CC[OH]
38: smi match: *CC[OH] *CC[OH]
38: smi match: *=CCC(=O)[OH] *=CCC(=O)[OH]
38: smi match: O=C([OH])CC[OH] O=C([OH])CC[OH]
38: smi match: *CCC(=O)[OH] *CCC(=O)[OH]
38: smi match: CC(=O)CC(=O)[OH] CC(=O)CC(=O)[OH]
38: smi match: *OC(=O)CC(C)=O *OC(=O)CC(C)=O
38: smi match: *OC(*)=O *OC(*)=O
38: smi match: *C(=O)[OH] *C(=O)[OH]
38: smi match: O=C[OH] O=C[OH]
38: smi match: *OC(=O)O* *OC(=O)O*
38: smi match: * *
38: smi match: *OC(=O)Cl *OC(=O)Cl
38: smi match: *C#N *C#N
38: smi match: NCC(=O)NCC=O NCC(=O)NCC=O
38: smi match: SS SS
38: smi match: * *
38: smi match: *=* *=*
38: smi match: *=* *=*
38: smi match: *=* *=*
38: smi match: *=* *=*
38: smi match: C1CO1 C1CO1
38: smi match: *OC(*)=O *OC(*)=O
38: smi match: * *
38: smi match: *O*[OH] *O*[OH]
38: smi match: COC(C)(C)O COC(C)(C)O
38: smi match: *[OH] *[OH]
38: smi match: ** **
38: smi match: C=N[NH2] C=N[NH2]
38: smi match: C=NC=O C=NC=O
38: smi match: * *
38: smi match: C#NC C#NC
38: smi match: CN=C=O CN=C=O
38: smi match: CN=C=S CN=C=S
38: smi match: *OC(*)(*)O* *OC(*)(*)O*
38: smi match: *C(*)=O *C(*)=O
38: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C
38: smi match: *~*=O *~*=O
38: smi match: *~*=O *~*=O
38: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH]
38: smi match: * *
38: smi match: *C#N *C#N
38: smi match: *N(=O)~O *N(=O)~O
38: smi match: N N
38: smi match: OC(=O)C(O)=O OC(=O)C(O)=O
38: smi match: C=NO C=NO
38: smi match: O~O O~O
38: smi match: c[OH] c[OH]
38: smi match: O=P(~[OH])~O O=P(~[OH])~O
38: smi match: CO~P(=O)~O CO~P(=O)~O
38: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O
38: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O
38: smi match: O=P(~O)~O O=P(~O)~O
38: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O
38: smi match: C[NH2] C[NH2]
38: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1
38: smi match: * *
38: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1
38: smi match: CS(C)~O CS(C)~O
38: smi match: CS(C)(~O)~O CS(C)(~O)~O
38: smi match: CS(N)(~O)~O CS(N)(~O)~O
38: smi match: CS([OH])(~O)~O CS([OH])(~O)~O
38: smi match: COS(C)(~O)~O COS(C)(~O)~O
38: smi match: *S(C)(~O)~O *S(C)(~O)~O
38: smi match: CN(C)C CN(C)C
38: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1
38: smi match: *C(*)=S *C(*)=S
38: smi match: *OC(*)=S *OC(*)=S
38: smi match: * *
38: smi match: C[SH] C[SH]
38: smi match: c[SH] c[SH]
38: smi match: NC(N)=S NC(N)=S
38: smi match: * *
38: smi match: ***** *****
38: smi match: NC(N)=O NC(N)=O
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing sf.net issue 280.
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing sf.net issue 285.
38: [00:53:05] done
38: [00:53:05] done
38: [00:53:05] done
38: [00:53:05] done
38: [00:53:05] done
38: [00:53:05] done
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing Github2441: Add RDProps interface to Conformers.
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing Issue2510: Pickle Confs as double.
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing Github #2465: Negative atom-map numbers cause depickling to fail.
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing loading pickled mols with conformers
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing conformer reading/writing options
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing property reading options
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing property reading options
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing boost::serialization integration
38: [00:53:05] done
38: [00:53:05] -------------------------------------
38: [00:53:05] Testing github issue 6036
35/235 Test #38: graphmoltestPickler .................... Passed 0.16 sec
36/235 Test #44: molBundleTest .......................... Passed 0.06 sec
test 47
Start 47: graphmolTestsCatch
47: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
47: Test timeout computed to be: 1500
test 48
Start 48: graphmolOrganometallicsCatch
48: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch
48: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
48: Test timeout computed to be: 1500
30: ...[00:53:05] Molecule does not have explicit Hs. Consider calling AddHs()
47: Randomness seeded to: 137179726
47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
47: [00:53:05] Explicit valence for atom # 1 N, 5, is greater than permitted
47: [00:53:05] Explicit valence for atom # 1 N, 6, is greater than permitted
47: [00:53:05] Explicit valence for atom # 1 N, 5, is greater than permitted
47: [00:53:05] Explicit valence for atom # 1 N, 5, is greater than permitted
47: [00:53:05] Explicit valence for atom # 2 O, 3, is greater than permitted
47: [00:53:05] Explicit valence for atom # 2 O, 3, is greater than permitted
47: [00:53:05] non-ring atom 2 marked aromatic
47: [00:53:05] non-ring atom 2 marked aromatic
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 1 2 3
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 1 2 3
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 0 1 2
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 0 1 2
47: [00:53:05] Explicit valence for atom # 1 O, 3, is greater than permitted
47: [00:53:05] Explicit valence for atom # 4 F, 2, is greater than permitted
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 6 7 8
37/235 Test #45: testSGroup ............................. Passed 0.08 sec
38/235 Test #46: test-valgrind .......................... Passed 0.06 sec
47: [00:53:05] Explicit valence for atom # 1 C, 5, is greater than permitted
test 49
Start 49: graphmolSGroupCatch
49: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolSGroupCatch
49: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
49: Test timeout computed to be: 1500
test 50
Start 50: graphmolAdjustQueryCatch
50: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch
50: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
50: Test timeout computed to be: 1500
47: [00:53:05] WARNING: not removing hydrogen atom with dummy atom neighbors
47: [00:53:05] WARNING: not removing hydrogen atom with dummy atom neighbors
47: [00:53:05] WARNING: not removing hydrogen atom with wedged bond
47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
47: [00:53:05] Unreasonable formal charge on atom # 0.
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: no atom
47: Violation occurred on line 181 in file ./Code/GraphMol/ROMol.cpp
47: Failed Expression: at
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088AC84 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: no owner
47: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
47: Failed Expression: dp_mol
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088ACF8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: atom not associated with this molecule
47: Violation occurred on line 182 in file ./Code/GraphMol/ROMol.cpp
47: Failed Expression: &at->getOwningMol() == this
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088AD78 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: no atom
47: Violation occurred on line 364 in file ./Code/GraphMol/ROMol.cpp
47: Failed Expression: at
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088AE40 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: no owner
47: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
47: Failed Expression: dp_mol
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088AEB8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: atom not associated with this molecule
47: Violation occurred on line 365 in file ./Code/GraphMol/ROMol.cpp
47: Failed Expression: &at->getOwningMol() == this
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088AF3C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: no atom
47: Violation occurred on line 371 in file ./Code/GraphMol/ROMol.cpp
47: Failed Expression: at
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088B650 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: no owner
47: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
47: Failed Expression: dp_mol
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088B06C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: atom not associated with this molecule
47: Violation occurred on line 372 in file ./Code/GraphMol/ROMol.cpp
47: Failed Expression: &at->getOwningMol() == this
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088B0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: null atom passed in
47: Violation occurred on line 386 in file ./Code/GraphMol/ROMol.cpp
47: Failed Expression: atom_pin
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088B634 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: cannot take ownership of an atom which already has an owner
47: Violation occurred on line 387 in file ./Code/GraphMol/ROMol.cpp
47: Failed Expression: !takeOwnership || !atom_pin->hasOwningMol() || &atom_pin->getOwningMol() == this
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088B2E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: cannot take ownership of an bond which already has an owner
47: Violation occurred on line 412 in file ./Code/GraphMol/ROMol.cpp
47: Failed Expression: !takeOwnership || !bond_pin->hasOwningMol() || &bond_pin->getOwningMol() == this
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE088B614 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
47: [00:53:05] WARNING: not removing hydrogen atom without neighbors
47: [00:53:05] Explicit valence for atom # 1 F greater than permitted
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: plain atoms have no Query
47: Violation occurred on line 691 in file ./Code/GraphMol/Atom.cpp
47: Failed Expression: 0
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::Atom::setQuery(Queries::Query<int, RDKit::Atom const*, true>*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE083B0EC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: plain atoms have no Query
47: Violation occurred on line 696 in file ./Code/GraphMol/Atom.cpp
47: Failed Expression: 0
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::Atom::expandQuery(Queries::Query<int, RDKit::Atom const*, true>*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE083B178 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: plain bonds have no Query
47: Violation occurred on line 207 in file ./Code/GraphMol/Bond.cpp
47: Failed Expression: 0
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::Bond::setQuery(Queries::Query<int, RDKit::Bond const*, true>*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE083AD3C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05]
47:
47: ****
47: Pre-condition Violation
47: plain bonds have no query
47: Violation occurred on line 228 in file ./Code/GraphMol/Bond.cpp
47: Failed Expression: 0
47: ----------
47: Stacktrace:
47: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
47: 2# RDKit::Bond::expandQuery(Queries::Query<int, RDKit::Bond const*, true>*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
47: 3# 0x0000AAAAE083ADC8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 4# 0x0000AAAAE08D4E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 5# 0x0000AAAAE08D5820 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 6# 0x0000AAAAE08D5C54 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 7# 0x0000AAAAE08AA038 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 8# 0x0000AAAAE08AA584 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 9# 0x0000AAAAE082E030 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: 10# 0x0000FFFFACF8229C in /lib/aarch64-linux-gnu/libc.so.6
47: 11# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
47: 12# 0x0000AAAAE082E0F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
47: ----------
47: ****
47:
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
47: [00:53:05] Unusual charge on atom 0 number of radical electrons set to zero
47: [00:53:05] Unusual charge on atom 0 number of radical electrons set to zero
47: [00:53:05] Unusual charge on atom 0 number of radical electrons set to zero
47: [00:53:05] non-ring atom 0 marked aromatic
47: [00:53:05] non-ring atom 0 marked aromatic
47: [00:53:05] Explicit valence for atom # 1 C, 5, is greater than permitted
47: [00:53:05] Explicit valence for atom # 9 C, 5, is greater than permitted
47: [00:53:05] Explicit valence for atom # 3 N, 4, is greater than permitted
47: [00:53:05] Explicit valence for atom # 15 C, 5, is greater than permitted
47: [00:53:05] Explicit valence for atom # 11 C, 5, is greater than permitted
47: [00:53:05] Explicit valence for atom # 9 C, 5, is greater than permitted
47: [00:53:05] Explicit valence for atom # 9 C, 5, is greater than permitted
47: [00:53:05] Explicit valence for atom # 9 C, 6, is greater than permitted
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 7
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 3
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 3 7
47: [00:53:05] Can't kekulize mol. Unkekulized atoms: 3 7
47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
48: Randomness seeded to: 3916149693
48: ===============================================================================
48: All tests passed (62 assertions in 6 test cases)
48:
39/235 Test #48: graphmolOrganometallicsCatch ........... Passed 0.05 sec
47: [00:53:05] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
test 51
Start 51: chiralityTestsCatch
51: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/chiralityTestsCatch
51: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
51: Test timeout computed to be: 1500
49: Randomness seeded to: 3165498266
49: ===============================================================================
49: All tests passed (136 assertions in 8 test cases)
49:
40/235 Test #49: graphmolSGroupCatch .................... Passed 0.04 sec
test 52
Start 52: canonTestsCatch
52: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/canonTestsCatch
52: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
52: Test timeout computed to be: 1500
41: [00:53:05] sorting (hanoi sort) vectors
51: Randomness seeded to: 1778770885
51: [00:53:05] unable to set wavy bonds for double bonds: 3
51: [00:53:05] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
51: [00:53:05] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
47: [00:53:06] Explicit valence for atom # 1 O, 3, is greater than permitted
47: [00:53:06] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
47: [00:53:06] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
51: [00:53:06] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
51: [00:53:06] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
51: [00:53:06] Warning: ambiguous stereochemistry - overlapping neighbors - at atom 2 ignored
47: [00:53:06] Invalid value for molAttachPoint: 4 on atom 1. Not expanding this atttachment point.
47: [00:53:06] Invalid value for _fromAttachPoint: -1 on atom 0. Not collapsing this atom
47: [00:53:06] Invalid value for _fromAttachPoint: 4 on atom 0. Not collapsing this atom
47: [00:53:06] non-ring atom 0 marked aromatic
47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
51: ===============================================================================
51: All tests passed (2267 assertions in 79 test cases)
51:
41/235 Test #51: chiralityTestsCatch .................... Passed 0.08 sec
test 53
Start 53: moliteratorTestsCatch
53: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/moliteratorTestsCatch
53: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
53: Test timeout computed to be: 1500
50: Randomness seeded to: 624791561
50: ===============================================================================
50: All tests passed (283 assertions in 11 test cases)
50:
42/235 Test #50: graphmolAdjustQueryCatch ............... Passed 0.12 sec
test 54
Start 54: queryTestsCatch
54: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/queryTestsCatch
54: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
54: Test timeout computed to be: 1500
47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
53: Randomness seeded to: 2205203964
53: ===============================================================================
53: All tests passed (14 assertions in 4 test cases)
53:
43/235 Test #53: moliteratorTestsCatch .................. Passed 0.04 sec
test 55
Start 55: molbundleTestsCatch
55: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/molbundleTestsCatch
55: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
55: Test timeout computed to be: 1500
54: Randomness seeded to: 3275723778
54: ===============================================================================
54: All tests passed (10 assertions in 1 test case)
54:
44/235 Test #54: queryTestsCatch ........................ Passed 0.03 sec
test 56
Start 56: pickleTestsCatch
56: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/pickleTestsCatch
56: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
56: Test timeout computed to be: 1500
55: Randomness seeded to: 3637623492
55: ===============================================================================
55: All tests passed (6 assertions in 1 test case)
55:
47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
45/235 Test #55: molbundleTestsCatch .................... Passed 0.03 sec
test 57
Start 57: tableTestsCatch
57: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/tableTestsCatch
57: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
57: Test timeout computed to be: 1500
47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
56: Randomness seeded to: 2105312874
56: ===============================================================================
56: All tests passed (45 assertions in 4 test cases)
56:
46/235 Test #56: pickleTestsCatch ....................... Passed 0.04 sec
30: ......[00:53:06] Molecule does not have explicit Hs. Consider calling AddHs()
test 58
Start 58: molopsTestsCatch
58: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/molopsTestsCatch
58: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol
58: Test timeout computed to be: 1500
47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
47: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
57: Randomness seeded to: 4288511620
57: ===============================================================================
57: All tests passed (7 assertions in 2 test cases)
57:
47/235 Test #57: tableTestsCatch ........................ Passed 0.04 sec
test 59
Start 59: smiTest1
59: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1
59: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
59: Test timeout computed to be: 1500
58: Randomness seeded to: 819906807
58: ===============================================================================
58: All tests passed (79 assertions in 6 test cases)
58:
48/235 Test #58: molopsTestsCatch ....................... Passed 0.06 sec
test 60
Start 60: smiTest2
60: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2
60: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
60: Test timeout computed to be: 1500
47: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
47: [00:53:06] Explicit valence for atom # 0 Al, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 0 Al, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 1 Si, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 1 Si, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 0 P, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 0 P, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 0 P, 7, is greater than permitted
47: [00:53:06] Explicit valence for atom # 0 P, 7, is greater than permitted
47: [00:53:06] Explicit valence for atom # 1 As, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 1 As, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 1 As, 7, is greater than permitted
47: [00:53:06] Explicit valence for atom # 1 As, 7, is greater than permitted
47: [00:53:06] Explicit valence for atom # 0 Sb, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 0 Sb, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 0 Sb, 7, is greater than permitted
47: [00:53:06] Explicit valence for atom # 0 Sb, 7, is greater than permitted
47: [00:53:06] Explicit valence for atom # 1 Bi, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 1 Bi, 6, is greater than permitted
47: [00:53:06] Explicit valence for atom # 1 Bi, 8, is greater than permitted
47: [00:53:06] Explicit valence for atom # 1 Bi, 8, is greater than permitted
47: ===============================================================================
47: All tests passed (4464 assertions in 106 test cases)
47:
60: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO'
60: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
60: [00:53:06] SMILES Parse Error: syntax error while parsing: -
60: [00:53:06] SMILES Parse Error: check for mistakes around position 1:
60: [00:53:06] -
60: [00:53:06] ^
60: [00:53:06] SMILES Parse Error: Failed parsing SMILES '-' for input: '-'
60: [00:53:06] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]'
60: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C'
60: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
60: [00:53:06] SMILES Parse Error: Failed parsing SMILES '*' for input: '*'
60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO'
60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O'
60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-'
60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]'
60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C'
60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O'
60: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*'
59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
49/235 Test #47: graphmolTestsCatch ..................... Passed 0.33 sec
50/235 Test #60: smiTest2 ............................... Passed 0.02 sec
test 61
Start 61: cxsmilesTest
61: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/cxsmilesTest
61: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
61: Test timeout computed to be: 1500
test 62
Start 62: smaTest1
62: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smaTest1
62: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
62: Test timeout computed to be: 1500
59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
59: [00:53:06] WARNING: not removing hydrogen atom without neighbors
59: [00:53:06] Invalid chiral specification on atom 0
59: [00:53:06] Invalid chiral specification on atom 0
59: [00:53:06] Invalid chiral specification on atom 0
59: [00:53:06] Invalid chiral specification on atom 0
59: [00:53:06] Invalid chiral specification on atom 0
59: [00:53:06] SMILES Parse Error: unclosed ring for input: 'C1.C11.C'
59: [00:53:06] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC'
36: [00:53:06] Maximum BFS search size exceeded.
36: This is likely due to a highly symmetric fused ring system.
59: --C1CCC2(CC1)CCCCC2CCC1CCCC1
59: smi: ClC1CCCCC1
59: smi: ClC1CCCCC1
59: smi: ClC1CCCCC1Br
59: smi: c1ccccc1
59: smi: c1ccncc1
59: smi: c1cc[nH]c1
59: smi: c1cc[nH]c1
59: smi: c1cc[pH]c1
59: [00:53:06] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
59: [00:53:06] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
59: CbC(aC)aC
59: CaC(bC)aC
59: CbC(bC)aC
59: O.C
59: 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
59: [00:53:06] SMILES Parse Error: syntax error while parsing: c%()ccccc%()
59: [00:53:06] SMILES Parse Error: check for mistakes around position 4:
59: [00:53:06] c%()ccccc%()
59: [00:53:06] ~~~^
59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()'
59: [00:53:06] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000)
59: [00:53:06] SMILES Parse Error: check for mistakes around position 9:
59: [00:53:06] c%(100000)ccccc%(100000)
59: [00:53:06] ~~~~~~~~^
59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)'
59: [00:53:06] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111'
59: [00:53:06] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1'
59: [00:53:06] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
59: [00:53:06] SMILES Parse Error: check for mistakes around position 14:
59: [00:53:06] COc(c1)cccc1C#
59: [00:53:06] ~~~~~~~~~~~~~^
59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
59: [00:53:06] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
59: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
59: [00:53:06] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
59: [00:53:06] SMILES Parse Error: check for mistakes around position 14:
59: [00:53:06] COc(c1)cccc1C#
59: [00:53:06] ~~~~~~~~~~~~~^
59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
59: [00:53:06] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
59: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
59: [00:53:06] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
59: [00:53:06] SMILES Parse Error: check for mistakes around position 14:
59: [00:53:06] COc(c1)cccc1C#
59: [00:53:06] ~~~~~~~~~~~~~^
59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
59: [00:53:06] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
59: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
59: C=c1s/c2n(c1=O)CCCCCCC\N=2
59: C1=C\C/C=C2C3=C\C/C=C\C=C/C/3C\2\C=C/1
59: [00:53:06] SMILES Parse Error: extra close parentheses while parsing: C)
59: [00:53:06] SMILES Parse Error: check for mistakes around position 2:
59: [00:53:06] C)
59: [00:53:06] ~^
59: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)'
51/235 Test #59: smiTest1 ............................... Passed 0.18 sec
test 63
Start 63: smiTestCatch
63: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
63: Test timeout computed to be: 1500
30: ...
30: ----------------------------------------------------------------------
30: Ran 12 tests in 0.534s
30:
30: OK
62: [00:53:06] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC
62: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC'
62: [00:53:06] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON
62: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON'
63: Randomness seeded to: 1255396514
63: [00:53:06] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
63: [00:53:06] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
62: [00:53:06] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
62: [00:53:06] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
63: [00:53:06] SMARTS Parse Error: unclosed ring for input: 'c1ccccc'
63: [00:53:06] SMARTS Parse Error: unclosed ring for input: 'C1C'
52/235 Test #62: smaTest1 ............................... Passed 0.14 sec
test 64
Start 64: nontetrahedralCatch
64: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch
64: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
64: Test timeout computed to be: 1500
63: [00:53:06] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
63: [00:53:06] SMARTS Parse Error: syntax error while parsing: C)foo
63: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo'
63: [00:53:06] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$|
63: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|'
63: [00:53:06] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu'
61: Randomness seeded to: 1989579587
61: Test
61:
61: ShortAtropisomerNoCoords.cxsmi
61:
61: Test
61:
61: ShortAtropisomer.cxsmi
61:
61: Test
61:
61: ShortAtropisomerArom.cxsmi
61:
61: Test
61:
61: AtropManyChirals.cxsmi
61:
61: Test
61:
61: AtropManyChiralsEnhanced.cxsmi
61:
61: Test
61:
61: AtropManyChiralsEnhanced2.cxsmi
61:
61: Test
61:
61: AtropManyChiralsEnhanced3.cxsmi
61:
61: Test
61:
61: AtropManyChiralsEnhanced4.cxsmi
61:
61: Test
61:
61: BMS-986142_3d_chiral.cxsmi
61:
61: Test
61:
61: BMS-986142_3d.cxsmi
61:
61: Test
61:
61: BMS-986142_atrop1.cxsmi
61:
61: Test
61:
61: BMS-986142_atrop2.cxsmi
61:
61: Test
61:
61: BMS-986142_atrop3.cxsmi
61:
61: Test
61:
61: BMS-986142_atrop4.cxsmi
61:
61: Test
61:
61: BMS-986142_atrop5.cxsmi
61:
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: Test
61:
61: BMS-986142_atrop6.cxsmi
61:
61: Test
61:
61: BMS-986142_atropBad1.cxsmi
61:
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
64: Randomness seeded to: 3807040124
64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
61: Test
61:
61: BMS-986142_atropBad2.cxsmi
61:
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
61: Test
61:
61: JDQ443_3d.cxsmi
61:
61: Test
61:
61: JDQ443_atrop1.cxsmi
61:
61: Test
61:
61: JDQ443_atrop2.cxsmi
61:
61: Test
61:
61: JDQ443_atrop3.cxsmi
61:
61: Test
61:
61: JDQ443_atrop4.cxsmi
61:
61: Test
61:
61: JDQ443_atropBad1.cxsmi
61:
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
63: [00:53:06] w block attempts to set wedging on bond 0 more than once.
63: [00:53:06] improperly formatted w block
63: [00:53:06] atom 3 is not associated with bond 1(1-2) in w block
61: Test
61:
61: RP-6306_atrop1.cxsmi
61:
61: Test
61:
61: RP-6306_atrop2.cxsmi
61:
61: Test
61:
61: RP-6306_atrop3.cxsmi
61:
61: Test
61:
61: RP-6306_atrop4.cxsmi
61:
61: Test
61:
61: RP-6306_atrop5.cxsmi
61:
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
61: Test
61:
61: RP-6306_atrop6.cxsmi
61:
61: Test
61:
61: RP-6306_atropBad1.cxsmi
61:
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
61: Test
61:
61: RP-6306_atropBad2.cxsmi
61:
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
63: [00:53:06]
63:
63: ****
63: Range Error
63: idx
63: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
63: Failed Expression: 20 < 20
63: ----------
63: Stacktrace:
63: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
63: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
63: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
63: 3# RDKit::Canon::canonicalizeFragment(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, std::vector<RDKit::Canon::MolStackElem, std::allocator<RDKit::Canon::MolStackElem> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
63: 4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
63: 5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
63: 6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
63: 7# 0x0000AAAAB9259B2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 8# 0x0000AAAAB92AD50C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 9# 0x0000AAAAB92ADEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 10# 0x0000AAAAB92AE2F4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 11# 0x0000AAAAB92826B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 12# 0x0000AAAAB9282C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 13# 0x0000AAAAB9215810 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 14# 0x0000FFFF895A229C in /lib/aarch64-linux-gnu/libc.so.6
63: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
63: 16# 0x0000AAAAB92158F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: ----------
63: ****
63:
36: [00:53:06] Maximum BFS search size exceeded.
36: This is likely due to a highly symmetric fused ring system.
63: [00:53:06]
63:
63: ****
63: Range Error
63: idx
63: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
63: Failed Expression: 20 < 20
63: ----------
63: Stacktrace:
63: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
63: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
63: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
63: 3# RDKit::Canon::canonicalizeFragment(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, std::vector<RDKit::Canon::MolStackElem, std::allocator<RDKit::Canon::MolStackElem> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
63: 4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
63: 5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
63: 6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
63: 7# 0x0000AAAAB9259B2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 8# 0x0000AAAAB92AD50C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 9# 0x0000AAAAB92ADEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 10# 0x0000AAAAB92AE2F4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 11# 0x0000AAAAB92826B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 12# 0x0000AAAAB9282C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 13# 0x0000AAAAB9215810 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: 14# 0x0000FFFF895A229C in /lib/aarch64-linux-gnu/libc.so.6
63: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
63: 16# 0x0000AAAAB92158F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
63: ----------
63: ****
63:
63: [00:53:06] SMARTS Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
63: [00:53:06] SMILES Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
63: [00:53:06] SMARTS Parse Error: syntax error while parsing: C1C)foo
63: [00:53:06] SMARTS Parse Error: Failed parsing SMARTS 'C1C)foo' for input: 'C1C)foo'
63: [00:53:06] SMILES Parse Error: extra close parentheses while parsing: C1C)foo
63: [00:53:06] SMILES Parse Error: check for mistakes around position 4:
63: [00:53:06] C1C)foo
63: [00:53:06] ~~~^
63: [00:53:06] SMILES Parse Error: Failed parsing SMILES 'C1C)foo' for input: 'C1C)foo'
63: ===============================================================================
63: All tests passed (1584 assertions in 68 test cases)
63:
53/235 Test #63: smiTestCatch ........................... Passed 0.12 sec
test 65
Start 65: v2smiTestCatch
65: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/v2smiTestCatch
65: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
65: Test timeout computed to be: 1500
64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
36: F/C=C/Cl
36: [H]/C(F)=C(/[H])Cl
36: F/C=C/Cl
36: F/C=C/Cl
36: C/C(F)=C(/C)Cl
61: Test
61:
61: RP-6306_3d.cxsmi
61:
61: Test
61:
61: Sotorasib_atrop1.cxsmi
61:
61: Test
61:
61: Sotorasib_atrop2.cxsmi
61:
61: Test
61:
61: Sotorasib_atrop3.cxsmi
61:
61: Test
61:
61: Sotorasib_atrop4.cxsmi
61:
61: Test
61:
61: Sotorasib_atrop5.cxsmi
61:
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
61: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
64: [00:53:06] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
36: [00:53:06] -----------------------
36: Testing isRingFused
61: Test
61:
61: Sotorasib_atropBad1.cxsmi
61:
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
54/235 Test #36: graphmolMolOpsTest ..................... Passed 0.79 sec
test 66
Start 66: testDepictor
66: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/testDepictor
66: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor
66: Test timeout computed to be: 1500
65: Randomness seeded to: 244417617
65: ===============================================================================
65: All tests passed (14 assertions in 2 test cases)
65:
61: Test
61:
61: Sotorasib_atropBad2.cxsmi
61:
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
61: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
64: [00:53:06] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false.
64: ===============================================================================
64: All tests passed (308 assertions in 9 test cases)
64:
55/235 Test #30: pyForceFieldConstraints ................ Passed 0.89 sec
56/235 Test #64: nontetrahedralCatch .................... Passed 0.13 sec
57/235 Test #65: v2smiTestCatch ......................... Passed 0.05 sec
test 67
Start 67: depictorCatch
67: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/depictorCatch
67: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor
67: Test timeout computed to be: 1500
test 68
Start 68: pyDepictor
68: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/testDepictor.py"
68: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap
68: Test timeout computed to be: 1500
test 69
Start 69: testMrvToMol
69: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
69: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse
69: Test timeout computed to be: 1500
61: Test
61:
61: Sotorasib_3d.cxsmi
61:
61: Test
61:
61: ZM374979_atrop1.cxsmi
61:
61: Test
61:
61: ZM374979_atrop2.cxsmi
61:
61: Test
61:
61: ZM374979_atrop3.cxsmi
61:
61: Test
61:
61: ZM374979_atrop4.cxsmi
61:
61: Test
61:
61: ZM374979_atropBad1.cxsmi
61:
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
61: Test
61:
61: Mrtx1719_3d.cxsmi
61:
61: Test
61:
61: Mrtx1719_atrop1.cxsmi
61:
61: Test
61:
61: Mrtx1719_atrop2.cxsmi
61:
61: Test
61:
61: Mrtx1719_atrop3.cxsmi
61:
61: Test
61:
61: Mrtx1719_atrop4.cxsmi
61:
61: Test
61:
61: Mrtx1719_atropBad1.cxsmi
61:
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
61: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
69: Using new chirality perception
69: Test
69:
69: rxnStereoMarkedCrossed.mrv
69:
69: Test
69:
69: 145323811.mol
69:
69: [00:53:06] unsupported number of radical electrons 5
69: Test
69:
69: NewChiralTest.sdf
69:
69: Test
69:
69: NewChiralTest.sdf
69:
69: Test
69:
69: NewChiralTestNoChiral.sdf
69:
69: Test
69:
69: NewChiralTestNoChiral.sdf
69:
69: Test
69:
69: NewChiralTestAllChiral.sdf
69:
69: Test
69:
69: NewChiralTestAllChiral.sdf
69:
69: Test
69:
69: vendor839.sdf
69:
69: Test
69:
69: ProblemShort.mol
69:
69: [00:53:06] For a MultipleSgroup expansion, the matching orphaned bond was not found
69: The multiple sgroup will be ignored
67: Randomness seeded to: 877696197
67: ===============================================================================
67: All tests passed (580 assertions in 18 test cases)
67:
58/235 Test #67: depictorCatch .......................... Passed 0.22 sec
test 70
Start 70: fileParsersTest1
70: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
70: Test timeout computed to be: 1500
70: ***************************************
70: ***************************************
70: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
70: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
70: [00:53:06] bond with order 0 found on line 7. This is not part of the MDL specification.
70: [00:53:06] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
70: [00:53:06] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
70: [00:53:06] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
70: generating smiles
70: 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
70: converting back
70: check isomorphism
66: [00:53:06] Warning: stereochemistry around double bond may be incorrect in depiction.
59/235 Test #66: testDepictor ........................... Passed 0.41 sec
test 71
Start 71: testAtropisomers
71: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testAtropisomers
71: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
71: Test timeout computed to be: 1500
71: [00:53:06] ---- Running with POSIX locale -----
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
61: Test
61:
61: AtropCanon1.cxsmi
61:
61: Test
61:
61: AtropCanon2.cxsmi
61:
61: Test
61:
61: AtropCanon3.cxsmi
61:
61: Test
61:
61: BMS-986142_3d_chiral.cxsmi
61:
61: Test
61:
61: BMS-986142_3d.cxsmi
61:
61: ===============================================================================
61: All tests passed (2445 assertions in 29 test cases)
61:
60/235 Test #61: cxsmilesTest ........................... Passed 0.75 sec
test 72
Start 72: testSquiggleDoubleBonds
72: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testSquiggleDoubleBonds
72: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
72: Test timeout computed to be: 1500
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
71: [00:53:06] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
72: Randomness seeded to: 3996379545
72: ===============================================================================
72: All tests passed (15 assertions in 3 test cases)
72:
61/235 Test #72: testSquiggleDoubleBonds ................ Passed 0.02 sec
test 73
Start 73: testMolSupplier
73: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
73: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
73: Test timeout computed to be: 1500
69: Test
69:
69: badWedgeError.sdf
69:
69: Test
69:
69: CrossedDoubleBondWithChiralNbr2.sdf
69:
69: Test
69:
69: CrossedDoubleBondWithChiralNbr.sdf
69:
69: Test
69:
69: SimpleWiggleDoubleBond.sdf
69:
69: Test
69:
69: lostStereoAnd.sdf
69:
69: Test
69:
69: DoubleBondChain.sdf
69:
69: Test
69:
69: UnitsError.sdf
69:
69: Test
69:
69: StarAtom.sdf
69:
69: Test
69:
69: nonProprietary.mol
69:
69: Test
69:
69: ChiralTest.sdf
69:
69: Test
69:
69: TestBond1.mol
69:
69: Test
69:
69: Sgroup_MUL_ParentInMiddle.sdf
69:
69: Test
69:
69: BadRxn.rxn
69:
69: Test
69:
69: FalseChiral.mrv
69:
69: Test
69:
69: FalseChiral.mrv
69:
69: Test
69:
69: Cubane.mrv
69:
69: Test
69:
69: NewChiralTest.mrv
69:
69: Test
69:
69: NewChiralTest.mrv
69:
69: Test
69:
69: NewChiralTestNoChiral.mrv
69:
69: Test
69:
69: NewChiralTestNoChiral.mrv
69:
69: Test
69:
69: NewChiralTestAllChiral.mrv
69:
69: Test
69:
69: NewChiralTestAllChiral.mrv
69:
69: Test
69:
69: DataSgroupMissingUnitsDisplayed.mrv
69:
69: Test
69:
69: lostStereoAnd.mrv
69:
69: Test
69:
69: DoubleBondChain.mrv
69:
69: Test
69:
69: WigglyAndCrossed.mrv
69:
69: Test
69:
69: BondTypes.mrv
69:
69: Test
69:
69: EmbeddedSGroupSUP_MUL.mrv
69:
69: Test
69:
69: EmbeddedSgroupCOP_SUP.mrv
69:
69: Test
69:
69: EmbeddedSgroupDAT_SUP.mrv
69:
69: Test
69:
69: EmbeddedSgroupMULTICENTER_SUP.mrv
69:
69: Test
69:
69: EmbeddedSgroupMUL_MUL.mrv
69:
69: Test
69:
69: EmbeddedSgroupMUL_MUL2.mrv
69:
69: Test
69:
69: EmbeddedSgroupMUL_SUP.mrv
69:
69: Test
69:
69: EmbeddedSgroupSRU_SUP.mrv
69:
69: Test
69:
69: EmbeddedSgroupSUPEXP_SUP.mrv
69:
69: Test
69:
69: EmbeddedSgroupSUPEXP_SUP2.mrv
69:
69: Test
69:
69: EmbeddedSgroupSUP_MULTICENTER.mrv
69:
69: Test
69:
69: EmbeddedSgroupSUP_SUP.mrv
69:
69: Test
69:
69: EmbeddedSgroupSUP_SUP2.mrv
69:
69: Test
69:
69: RgroupBad.mrv
69:
69: Test
69:
69: valenceLessThanDrawn.mrv
69:
69: Test
69:
69: data_sgroup_no_fieldname.mrv
69:
69: Test
69:
69: data_sgroup_empty_field_data.mrv
69:
69: Test
69:
69: radical_value.mrv
69:
69: Test
69:
69: emptyOneLineAtomList.mrv
69:
69: Test
69:
69: mrvValence_value.mrv
69:
69: Test
69:
69: ChiralTest2.mrv
69:
69: Test
69:
69: ChiralTest.mrv
69:
69: Test
69:
69: SnCl2.mrv
69:
69: Test
69:
69: SnH2Cl2.mrv
69:
69: Test
69:
69: marvin01.mrv
69:
69: Test
69:
69: marvin02.mrv
69:
69: Test
69:
69: marvin07.mrv
69:
69: Test
69:
69: marvin10.mrv
69:
69: Test
69:
69: marvin06.mrv
69:
69: Test
69:
69: marvin12.mrv
69:
69: Test
69:
69: EmptyMol.mrv
69:
69: Test
69:
69: Sparse.mrv
69:
69: Test
69:
69: Sparse2.mrv
69:
69: Test
69:
69: Sparse3.mrv
69:
69: Test
69:
69: MarvinNoCoords.mrv
69:
69: Test
69:
69: aspirin.mrv
69:
69: Test
69:
69: MarvinStereoGroupsZeros.mrv
69:
69: Test
69:
69: MarvinStereoGroupsAbs.mrv
69:
69: Test
69:
69: triphenylphosphine.mrv
69:
69: Test
69:
69: MarvinOldSuperGroupTest.mrv
69:
69: Test
69:
69: RadicalTests.mrv
69:
69: Test
69:
69: AnyBond.mrv
69:
69: Test
69:
69: cisBenzene.mrv
69:
69: Test
69:
69: DativeBond.mrv
69:
69: Test
69:
69: MultipleSgroup.mrv
69:
69: Test
69:
69: SgroupExpanded.mrv
69:
69: Test
69:
69: SgroupMultAttach.mrv
69:
69: Test
69:
69: MarvinMissingX2.mrv
69:
69: Test
69:
69: MarvinMissingY2.mrv
69:
69: Test
69:
69: DataSgroup.mrv
69:
69: Test
69:
69: MulticenterSgroup.mrv
69:
69: [00:53:06] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10
69: [00:53:06] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
69: Test
69:
69: GenericSgroup.mrv
69:
69: Test
69:
69: MonomerSgroup.mrv
69:
69: Test
69:
69: modification_sgroup.mrv
69:
69: Test
69:
69: copolymer_sgroup.mrv
69:
69: Test
69:
69: MultipleSgroupParentInMiddleOfAtomBlock.mrv
69:
69: Test
69:
69: EmbeddedSgroups.mrv
69:
69: Test
69:
69: marvin03.mrv
69:
69: Test
69:
69: MarvinBadMissingMolID.mrv
69:
69: [00:53:06]
69:
69: ****
69: Test Assert
69: Expression Failed:
69: Violation occurred on line 329 in file ./Code/GraphMol/MarvinParse/testMrvToMol.cpp
69: Failed Expression: GetExpectedValue(expectedMrvName) == outMolStr
69: ----------
69: Stacktrace:
69: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
69: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
69: 2# 0x0000AAAACB55AC5C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
69: 3# 0x0000AAAACB565D5C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
69: 4# 0x0000AAAACB554918 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
69: 5# 0x0000FFFF96D4229C in /lib/aarch64-linux-gnu/libc.so.6
69: 6# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
69: 7# 0x0000AAAACB554B70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
69: ----------
69: ****
69:
69: Test
69:
69: MarvinBadMissingAtomID.mrv
69:
69: Expected id, elementType for an atom definition in MRV file
69: Test
69:
69: MarvinBadX2.mrv
69:
69: The values x2 and y2 must be large floats in MRV file
69: Test
69:
69: MarvinBadY2.mrv
69:
69: The values x2 and y2 must be large floats in MRV file
69: Test
69:
69: MarvinBadStereoGroupsAbs.mrv
69:
69: Unrecognized group definition
69: Test
69:
69: MarvinBadElementType.mrv
69:
69: Test
69:
69: MarvinBadMissingBondID.mrv
69:
69: Test
69:
69: MarvinBadMissingBondAtomRefs
69:
69: Test
69:
69: MarvinBadMissingBondOrder.mrv
69:
69: bond must have one of: order, queryType, or convention in MRV File
69: Test
69:
69: MarvinBadMissingSruMolID.mrv
69:
69: Expected a molID in MRV file
69: Test
69:
69: MarvinBadMissingSruID.mrv
69:
69: Test
69:
69: MarvinBadMissingSruRole.mrv
69:
69: Test
69:
69: MarvinBadMissingSruAtomRef.mrv
69:
69: Test
69:
69: MarvinBadMissingSruTitle.mrv
69:
69: Test
69:
69: MarvinBadSruAtomRef.mrv
69:
69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
69: Test
69:
69: MarvinBadSruID.mrv
69:
69: Test
69:
69: MarvinBadSruRole.mrv
69:
69: Test
69:
69: MarvinBadSruAtomRef.mrv
69:
69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
71: [00:53:06] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
69: Test
69:
69: MarvinBadSruAtomRef.mrv
69:
69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
69: Test
69:
69: MarvinBadSruConnect.mrv
69:
69: Expected a connect string of "hh, ht, eu" for a SruSgroup definition in MRV file
69: Test
69:
69: MarvinBadSupAttachAtom.mrv
69:
69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
69: Test
69:
69: MarvinBadSupAttachBond.mrv
69:
69: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file
69: Test
69:
69: MarvinBadSupAttachOrder.mrv
69:
69: Order for an AttachmentPoint definition must be an integer in MRV file
69: Test
69:
69: MarvinBadSupAttachAtom.mrv
69:
69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
69: Test
69:
69: MarvinBadSupAttachAtom.mrv
69:
69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
69: Test
69:
69: MarvinBadSupAttachAtom.mrv
69:
69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
69: Test
69:
69: MarvinBadSupMissingAttachBond.mrv
69:
69: No attachment point found for bond to the condensed atom in a superatomSgroup
73: [00:53:07]
73: -----------------------------------------
69: Test
69:
69: MarvinBadSupMissingAttachOrder.mrv
69:
69: Expected atom, order and bond, for an AttachmentPoint definition in MRV file
73: [00:53:07]
73:
73: ****
73: Invariant Violation
73: bad prop value
73: Violation occurred on line 155 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
73: Failed Expression: nSwaps < 2
73: ----------
73: Stacktrace:
73: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
73: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
73: 2# 0x0000FFFF997A5C7C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
73: 3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
73: 4# 0x0000AAAAAEE0D59C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
73: 5# 0x0000AAAAAEE02A68 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
73: 6# 0x0000AAAAAEDD0E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
73: 7# 0x0000FFFF98DA229C in /lib/aarch64-linux-gnu/libc.so.6
73: 8# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
73: 9# 0x0000AAAAAEDD27F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
73: ----------
73: ****
73:
71: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
71: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
69: Test
69:
69: marvin03.mrv
69:
69: Test
69:
69: Cubane.mrv
69:
69: Test
69:
69: FalseAtropisomer.mrv
69:
69: Test
69:
69: AtropEnhancedStereo.mrv
69:
69: Test
69:
69: AtropManyChirals.mrv
69:
69: Test
69:
69: AtropManyChiralsEnhanced.mrv
69:
69: Test
69:
69: AtropManyChiralsEnhanced2.mrv
69:
69: Test
69:
69: AtropManyChiralsEnhanced3.mrv
69:
69: Test
69:
69: AtropManyChiralsEnhanced4.mrv
69:
69: Test
69:
69: BMS-986142_3d_chiral.mrv
69:
69: Test
69:
69: BMS-986142_3d.mrv
69:
69: Test
69:
69: BMS-986142_atrop1.mrv
69:
69: Test
69:
69: BMS-986142_atrop2.mrv
69:
69: Test
69:
69: BMS-986142_atrop3.mrv
69:
69: Test
69:
69: BMS-986142_atrop4.mrv
69:
69: Test
69:
69: BMS-986142_atrop5.mrv
69:
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
71: Atropisomers- 1 hits 3 misses
71: Final results:
71: Found atropisomers in TestMultInSDF.sdf - 1 hits 4 misses
62/235 Test #71: testAtropisomers ....................... Passed 0.16 sec
test 74
Start 74: testGeneralFileReader
74: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader
74: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
74: Test timeout computed to be: 1500
69: Test
69:
69: BMS-986142_atrop6.mrv
69:
69: Test
69:
69: BMS-986142_atrop7.mrv
69:
69: Test
69:
69: BMS-986142_atrop8.mrv
69:
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
69: Test
69:
69: BMS-986142_atropBad2.mrv
69:
69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
69: Test
69:
69: JDQ443_3d.mrv
69:
69: Test
69:
69: JDQ443_atrop1.mrv
69:
69: Test
69:
69: JDQ443_atrop2.mrv
69:
69: Test
69:
69: JDQ443_atrop3.mrv
69:
69: Test
69:
69: JDQ443_atropBad1.mrv
69:
69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
69: Test
69:
69: RP-6306_atrop1.mrv
69:
69: Test
69:
69: RP-6306_atrop2.mrv
69:
69: Test
69:
69: RP-6306_atrop3.mrv
69:
69: Test
69:
69: RP-6306_atrop4.mrv
69:
69: Test
69:
69: RP-6306_atrop5.mrv
69:
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
69: Test
69:
69: RP-6306_atropBad1.mrv
69:
69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
69: Test
69:
69: RP-6306_atropBad2.mrv
69:
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
74: [00:53:07]
74: -----------------------------------------
74: [00:53:07] Finished: testDetermineFormat()
74: [00:53:07] -----------------------------------------
74:
74: [00:53:07]
74: -----------------------------------------
69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
73: [00:53:07] Finished: testMolSup()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testRandMolSup()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
69: Test
69:
69: RP-6306_3d.mrv
69:
69: Test
69:
69: Sotorasib_atrop1.mrv
69:
69: Test
69:
69: Sotorasib_atrop2.mrv
69:
69: Test
69:
69: Sotorasib_atrop3.mrv
69:
69: Test
69:
69: Sotorasib_atrop4.mrv
69:
69: Test
69:
69: Sotorasib_atrop5.mrv
69:
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
69: Test
69:
69: Sotorasib_atropBad1.mrv
69:
69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
69: Test
69:
69: Sotorasib_atropBad2.mrv
69:
69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
73: [00:53:07] Finished: testSmilesSup()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] ------------------------------------------------------
73: [00:53:07] SMILES Parse Error: syntax error while parsing: fail
73: [00:53:07] SMILES Parse Error: check for mistakes around position 1:
73: [00:53:07] fail
73: [00:53:07] ^
73: [00:53:07] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
73: [00:53:07] ERROR: Smiles parse error on line 3
73: [00:53:07] ERROR: Cannot create molecule from : 'fail'
73: [00:53:07] ------------------------------------------------------
73: [00:53:07] ------------------------------------------------------
73: [00:53:07] >>> This may result in an infinite loop. It should finish almost immediately:
73: [00:53:07] <<< done.
73: [00:53:07] Finished: testSmilesSupFromText()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
69: Test
69:
69: Sotorasib_3d.mrv
69:
69: Test
69:
69: ZM374979_atrop1.mrv
69:
69: Test
69:
69: ZM374979_atrop2.mrv
69:
69: Test
69:
69: ZM374979_atrop3.mrv
69:
69: Test
69:
69: ZM374979_atropBad1.mrv
69:
69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
73: [00:53:07] Finished: testSmilesWriter()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testSDWriter()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testSDSupplierEnding()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testSuppliersEmptyFile()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testCisTrans()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testStereoRound()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
73: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
73: [00:53:07] Finished: testIssue226()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testTDTSupplier1()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
69: Test
69:
69: mrtx1719_3d.mrv
69:
69: Test
69:
69: mrtx1719_atrop1.mrv
69:
69: Test
69:
69: mrtx1719_atrop2.mrv
69:
69: Test
69:
69: mrtx1719_atrop3.mrv
69:
69: Test
69:
69: mrtx1719_atropBad1.mrv
69:
69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
73: [00:53:07] Finished: testTDTSupplier2()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testTDTSupplier3()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testSDSupplierFromText()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] ERROR: Problems encountered parsing data fields
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] ERROR: Problems encountered parsing data fields
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] Spurious data before the first property will be ignored
73: [00:53:07] Property <ID> will be truncated after the first blank line
73: [00:53:07] Property <ID> will be truncated after the first blank line
73: [00:53:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
73: [00:53:07] Finished: testSDSupplierStrLax1()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] ERROR: Problems encountered parsing data fields
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
73: [00:53:07] Finished: testSDSupplierStrLax2()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] ERROR: Problems encountered parsing data fields
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] ERROR: Problems encountered parsing data fields
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] Spurious data before the first property will be ignored
73: [00:53:07] Property <ID> will be truncated after the first blank line
73: [00:53:07] Property <ID> will be truncated after the first blank line
73: [00:53:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
73: [00:53:07] Finished: testSDSupplierFromTextStrLax1()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] ERROR: Problems encountered parsing data fields
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
73: [00:53:07] Finished: testSDSupplierFromTextStrLax2()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testIssue265()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] ERROR: End of data field name not found
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] Explicit valence for atom # 0 F, 2, is greater than permitted
73: [00:53:07] ERROR: Could not sanitize molecule ending on line 16
73: [00:53:07] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted
73: [00:53:07] ERROR: Atom line too short: ' 1 2 1 0 0 0 0' on line 12
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] ERROR: Bond line too short: 'M END' on line 18
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] Finished: testSDErrorHandling()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
74: [00:53:07] Finished: testSdf()
74: [00:53:07] -----------------------------------------
74:
74: [00:53:07]
74: -----------------------------------------
73: [00:53:07] Finished: testIssue381()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testSetStreamIndices()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testMixIterAndRandom()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: build:
73: [00:53:07] Finished: testRemoveHs()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testGetItemText()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testForwardSDSupplier()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testMissingCRSDSupplier()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testIssue3482695()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] ERROR: Cannot convert 'foo' to unsigned int on line 557
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] Finished: testIssue3525673()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testBlankLinesInProps()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testSkipLines()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testGitHub23()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testGitHub88()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
69: Test
69:
69: FalseAtropisomer.mrv
69:
69: Test
69:
69: AtropEnhancedStereo.mrv
69:
69: Test
69:
69: AtropManyChirals.mrv
69:
69: Test
69:
69: AtropManyChiralsEnhanced.mrv
69:
69: Test
69:
69: AtropManyChiralsEnhanced2.mrv
69:
69: Test
69:
69: AtropManyChiralsEnhanced3.mrv
69:
69: Test
69:
69: AtropManyChiralsEnhanced4.mrv
69:
69: Test
69:
69: BMS-986142_3d_chiral.mrv
69:
69: Test
69:
69: BMS-986142_3d.mrv
69:
69: Test
69:
69: BMS-986142_atrop1.mrv
69:
69: Test
69:
69: BMS-986142_atrop2.mrv
69:
69: Test
69:
69: BMS-986142_atrop3.mrv
69:
69: Test
69:
69: BMS-986142_atrop4.mrv
69:
69: Test
69:
69: BMS-986142_atrop5.mrv
69:
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
73: [00:53:07] Finished: testGitHub2285()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
73: [00:53:07] ERROR: Smiles parse error on line 1
73: [00:53:07] ERROR: Cannot create molecule from : 'c1ccccc'
73: [00:53:07] SMILES Parse Error: extra open parentheses while parsing: C(C
73: [00:53:07] SMILES Parse Error: check for mistakes around position 2:
73: [00:53:07] C(C
73: [00:53:07] ~^
73: [00:53:07] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
73: [00:53:07] ERROR: Smiles parse error on line 3
73: [00:53:07] ERROR: Cannot create molecule from : 'C(C'
73: [00:53:07] Explicit valence for atom # 1 C, 5, is greater than permitted
73: [00:53:07] ERROR: Could not sanitize molecule on line 5
73: [00:53:07] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
73: [00:53:07] Explicit valence for atom # 1 F, 2, is greater than permitted
73: [00:53:07] ERROR: Could not sanitize molecule ending on line 21
73: [00:53:07] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
73: [00:53:07] Explicit valence for atom # 1 F, 2, is greater than permitted
73: [00:53:07] ERROR: Could not sanitize molecule ending on line 21
73: [00:53:07] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
73: [00:53:07] Explicit valence for atom # 1 F, 2, is greater than permitted
73: [00:53:07] ERROR: Could not sanitize molecule ending on line 21
73: [00:53:07] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
73: [00:53:07] ERROR: Atom line too short: ' -9.6' on line 28
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] Explicit valence for atom # 1 F, 2, is greater than permitted
73: [00:53:07] ERROR: Could not sanitize molecule ending on line 21
73: [00:53:07] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
73: [00:53:07] ERROR: Atom line too short: ' -9.6' on line 28
73: [00:53:07] ERROR: moving to the beginning of the next molecule
73: [00:53:07] Finished: testGitHub2479()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07]
73:
73: ****
73: Invariant Violation
73: bad chiral bond
73: Violation occurred on line 161 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
73: Failed Expression: bnd
73: ----------
73: Stacktrace:
73: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
73: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
73: 2# 0x0000FFFF997A61A4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
73: 3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
73: 4# 0x0000AAAAAEDD36A0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
73: 5# 0x0000AAAAAEDD2514 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
73: 6# 0x0000FFFF98DA229C in /lib/aarch64-linux-gnu/libc.so.6
73: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
73: 8# 0x0000AAAAAEDD27F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
73: ----------
73: ****
73:
73: [00:53:07] Finished: testGitHub2881()
73: [00:53:07] -----------------------------------------
73:
73: [00:53:07] -----------------------------------------
73: [00:53:07] Finished: testGitHub3517()
73: [00:53:07] -----------------------------------------
73:
74: [00:53:07] Finished: testSmi()
74: [00:53:07] -----------------------------------------
74:
74: [00:53:07]
74: -----------------------------------------
63/235 Test #73: testMolSupplier ........................ Passed 0.19 sec
test 75
Start 75: testMultithreadedMolSupplier
75: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier
75: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
75: Test timeout computed to be: 1500
69: Test
69:
69: BMS-986142_atrop6.mrv
69:
69: Test
69:
69: BMS-986142_atrop7.mrv
69:
69: Test
69:
69: BMS-986142_atrop8.mrv
69:
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
69: Test
69:
69: BMS-986142_atropBad2.mrv
69:
69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
75: [00:53:07]
75: -----------------------------------------
69: Test
69:
69: JDQ443_3d.mrv
69:
69: Test
69:
69: JDQ443_atrop1.mrv
69:
69: Test
69:
69: JDQ443_atrop2.mrv
69:
69: Test
69:
69: JDQ443_atrop3.mrv
69:
69: Test
69:
69: JDQ443_atropBad1.mrv
69:
69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
69: Test
69:
69: RP-6306_atrop1.mrv
69:
69: Test
69:
69: RP-6306_atrop2.mrv
69:
69: Test
69:
69: RP-6306_atrop3.mrv
69:
69: Test
69:
69: RP-6306_atrop4.mrv
69:
69: Test
69:
69: RP-6306_atrop5.mrv
69:
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
69: Test
69:
69: RP-6306_atropBad1.mrv
69:
69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
74: [00:53:07] Finished: testMae()
74: [00:53:07] -----------------------------------------
74:
74: [00:53:07]
74: -----------------------------------------
74: [00:53:07] Finished: testTdt()
74: [00:53:07] -----------------------------------------
74:
69: Test
69:
69: RP-6306_atropBad2.mrv
69:
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
64/235 Test #74: testGeneralFileReader .................. Passed 0.16 sec
test 76
Start 76: testMolWriter
76: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter
76: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
76: Test timeout computed to be: 1500
69: Test
69:
69: RP-6306_3d.mrv
69:
69: Test
69:
69: Sotorasib_atrop1.mrv
69:
69: Test
69:
69: Sotorasib_atrop2.mrv
69:
69: Test
69:
69: Sotorasib_atrop3.mrv
69:
69: Test
69:
69: Sotorasib_atrop4.mrv
69:
69: Test
69:
69: Sotorasib_atrop5.mrv
69:
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
69: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
69: Test
69:
69: Sotorasib_atropBad1.mrv
69:
69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
69: Test
69:
69: Sotorasib_atropBad2.mrv
69:
69: [00:53:07] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
69: Test
69:
69: Sotorasib_3d.mrv
69:
69: Test
69:
69: ZM374979_atrop1.mrv
69:
69: Test
69:
69: ZM374979_atrop2.mrv
69:
69: Test
69:
69: ZM374979_atrop3.mrv
69:
69: Test
69:
69: ZM374979_atropBad1.mrv
69:
69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
69: Test
69:
69: mrtx1719_3d.mrv
69:
69: Test
69:
69: mrtx1719_atrop1.mrv
69:
69: Test
69:
69: mrtx1719_atrop2.mrv
69:
69: Test
69:
69: mrtx1719_atrop3.mrv
69:
69: Test
69:
69: mrtx1719_atropBad1.mrv
69:
69: [00:53:07] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
68: ..............[00:53:07] SMILES Parse Error: syntax error while parsing: invalidsmiles
68: [00:53:07] SMILES Parse Error: check for mistakes around position 1:
68: [00:53:07] invalidsmiles
68: [00:53:07] ^
68: [00:53:07] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles'
69: Test
69:
69: AlexRxn.mrv
69:
69: Test
69:
69: BadReactionSign.mrv
69:
69: Test
69:
69: bondArray_node.mrv
69:
69: Test
69:
69: marvin03.mrv
69:
69: Test
69:
69: marvin04.mrv
69:
69: Test
69:
69: marvin08.mrv
69:
69: Test
69:
69: marvin09.mrv
69:
69: Test
69:
69: marvin11.mrv
69:
69: Test
69:
69: marvin05.mrv
69:
69: Test
69:
69: EmptyRxn.mrv
69:
69: [00:53:07] initialization failed
70: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
70: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
70: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
70: [00:53:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
70: [00:53:07] deprecated group abbreviation ignored on line 24
69: Test
69:
69: RxnNoCoords.mrv
69:
69: Test
69:
69: mrvValenceZero.mrv
69:
69: Test
69:
69: condition_coordinates_mpoint.mrv
69:
69: Test
69:
69: marvin01.mrv
69:
69: Test
69:
69: aspirineSynthesisWithAttributes.mrv
69:
69: Test
69:
69: marvin01.mrv
69:
69: Test
69:
69: NewChiralTest
69:
69: Test
69:
69: NewChiralTest
69:
69: Test
69:
69: NewChiralTestNoChiral
69:
69: Test
69:
69: NewChiralTestNoChiral
69:
69: Test
69:
69: NewChiralTest2
69:
69: Test
69:
69: NewChiralTest2
69:
69: Test
69:
69: NewChiralTest2AllChiral
69:
69: Test
69:
69: NewChiralTest2AllChiral
69:
69: Test
69:
69: Vendor839
69:
69: Test
69:
69: DoubleBondChain
69:
69: Test
69:
69: Na_Mg_Al_OH
69:
69: Test
69:
69: Pb
69:
69: Test
69:
69: O_Mg_Si
69:
69: Test
69:
69: SquiggleBond
69:
69: Test
69:
69: BigMacrocycle
69:
69: Test
69:
69: Smiles1
69:
65/235 Test #69: testMrvToMol ........................... Passed 0.78 sec
test 77
Start 77: testTplParser
77: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testTplParser
77: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
77: Test timeout computed to be: 1500
70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
70: [00:53:07]
70:
70: ****
70: Post-condition Violation
70: Element 'Mv' not found
70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
70: Failed Expression: anum > -1
70: ----------
70: Stacktrace:
70: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
70: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
70: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 3# 0x0000FFFF9D2F7FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 4# 0x0000FFFF9D305BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 5# 0x0000FFFF9D306AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 9# 0x0000AAAAB9DFF83C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 10# 0x0000AAAAB9E74B44 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 11# 0x0000AAAAB9DE5CB8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 12# 0x0000FFFF9C9C229C in /lib/aarch64-linux-gnu/libc.so.6
70: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
70: 14# 0x0000AAAAB9DE5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: ----------
70: ****
70:
76: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
76: 0.40201265 0.40201265
76: -0.13299436 -0.13299436
76: 1.00000017 1.00000017
76: 0.8762226 0.8762226
76: 0.9973909 0.9973909
76: 1.00000003 1.00000003
76: 0.36613799 0.36613799
76: 2.1107185 2.1107185
76: 0.99999982 0.99999982
76: 2.48696157 2.48696157
76: 1.00479935 1.00479935
76: 0.99999999 0.99999999
76: 3.03311841 3.03311841
76: 2.23739955 2.23739955
76: 1.0000001 1.0000001
76: 3.00772337 3.00772337
76: 0.37399294 0.37399294
76: 2.07713325 2.07713325
76: 3.0077234 3.0077234
76: 0.37399312 0.37399312
76: -0.07713336 -0.07713336
76: [00:53:07] bond with order 0 found on line 11. This is not part of the MDL specification.
76: [00:53:07] bond with order 0 found on line 16. This is not part of the MDL specification.
66/235 Test #77: testTplParser .......................... Passed 0.04 sec
test 78
Start 78: testMol2ToMol
78: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol
78: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
78: Test timeout computed to be: 1500
67/235 Test #76: testMolWriter .......................... Passed 0.15 sec
test 79
Start 79: testSequence
79: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testSequence
79: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
79: Test timeout computed to be: 1500
70: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
70: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
68/235 Test #78: testMol2ToMol .......................... Passed 0.04 sec
test 80
Start 80: testExtendedStereoParsing
80: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testExtendedStereoParsing
80: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
80: Test timeout computed to be: 1500
79: Sequence: GREG
79: HELM: PEPTIDE1{G.R.E.G}$$$$
79: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O
79: PDB:
79: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O
79: CONECT 1 2
79: CONECT 2 3
79: CONECT 3 4 4 5
79: CONECT 5 6
79: CONECT 6 7 9
79: CONECT 7 8 8 16
79: CONECT 9 10
79: CONECT 10 11
79: CONECT 11 12
79: CONECT 12 13
79: CONECT 13 14 14 15
79: CONECT 16 17
79: CONECT 17 18 20
79: CONECT 18 19 19 25
79: CONECT 20 21
79: CONECT 21 22
79: CONECT 22 23 23 24
79: CONECT 25 26
79: CONECT 26 27
79: CONECT 27 28 28 29
79: END
79:
79: Sequence: TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN
79: 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}$$$$
79: 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
79: PDB:
79: ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 2 CA THR A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 3 C THR A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 4 O THR A 1 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 5 CB THR A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 6 OG1 THR A 1 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 7 CG2 THR A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 8 N THR A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 9 CA THR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 10 C THR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 11 O THR A 2 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 12 CB THR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 13 OG1 THR A 2 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 14 CG2 THR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 15 N CYS A 3 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 16 CA CYS A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 17 C CYS A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 18 O CYS A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 19 CB CYS A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 20 SG CYS A 3 0.000 0.000 0.000 1.00 0.00 S
79: ATOM 21 N CYS A 4 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 22 CA CYS A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 23 C CYS A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 24 O CYS A 4 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 25 CB CYS A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 26 SG CYS A 4 0.000 0.000 0.000 1.00 0.00 S
79: ATOM 27 N PRO A 5 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 28 CA PRO A 5 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 29 C PRO A 5 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 30 O PRO A 5 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 31 CB PRO A 5 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 32 CG PRO A 5 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 33 CD PRO A 5 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 34 N SER A 6 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 35 CA SER A 6 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 36 C SER A 6 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 37 O SER A 6 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 38 CB SER A 6 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 39 OG SER A 6 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 40 N ILE A 7 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 41 CA ILE A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 42 C ILE A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 43 O ILE A 7 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 44 CB ILE A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 45 CG1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 46 CG2 ILE A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 47 CD1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 48 N VAL A 8 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 49 CA VAL A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 50 C VAL A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 51 O VAL A 8 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 52 CB VAL A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 53 CG1 VAL A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 54 CG2 VAL A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 55 N ALA A 9 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 56 CA ALA A 9 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 57 C ALA A 9 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 58 O ALA A 9 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 59 CB ALA A 9 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 60 N ARG A 10 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 61 CA ARG A 10 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 62 C ARG A 10 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 63 O ARG A 10 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 64 CB ARG A 10 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 65 CG ARG A 10 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 66 CD ARG A 10 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 67 NE ARG A 10 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 68 CZ ARG A 10 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 69 NH1 ARG A 10 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 70 NH2 ARG A 10 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 71 N SER A 11 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 72 CA SER A 11 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 73 C SER A 11 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 74 O SER A 11 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 75 CB SER A 11 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 76 OG SER A 11 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 77 N ASN A 12 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 78 CA ASN A 12 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 79 C ASN A 12 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 80 O ASN A 12 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 81 CB ASN A 12 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 82 CG ASN A 12 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 83 OD1 ASN A 12 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 84 ND2 ASN A 12 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 85 N PHE A 13 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 86 CA PHE A 13 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 87 C PHE A 13 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 88 O PHE A 13 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 89 CB PHE A 13 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 90 CG PHE A 13 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 91 CD1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 92 CD2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 93 CE1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 94 CE2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 95 CZ PHE A 13 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 96 N ASN A 14 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 97 CA ASN A 14 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 98 C ASN A 14 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 99 O ASN A 14 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 100 CB ASN A 14 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 101 CG ASN A 14 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 102 OD1 ASN A 14 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 103 ND2 ASN A 14 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 104 N VAL A 15 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 105 CA VAL A 15 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 106 C VAL A 15 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 107 O VAL A 15 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 108 CB VAL A 15 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 109 CG1 VAL A 15 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 110 CG2 VAL A 15 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 111 N CYS A 16 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 112 CA CYS A 16 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 113 C CYS A 16 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 114 O CYS A 16 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 115 CB CYS A 16 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 116 SG CYS A 16 0.000 0.000 0.000 1.00 0.00 S
79: ATOM 117 N ARG A 17 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 118 CA ARG A 17 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 119 C ARG A 17 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 120 O ARG A 17 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 121 CB ARG A 17 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 122 CG ARG A 17 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 123 CD ARG A 17 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 124 NE ARG A 17 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 125 CZ ARG A 17 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 126 NH1 ARG A 17 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 127 NH2 ARG A 17 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 128 N LEU A 18 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 129 CA LEU A 18 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 130 C LEU A 18 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 131 O LEU A 18 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 132 CB LEU A 18 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 133 CG LEU A 18 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 134 CD1 LEU A 18 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 135 CD2 LEU A 18 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 136 N PRO A 19 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 137 CA PRO A 19 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 138 C PRO A 19 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 139 O PRO A 19 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 140 CB PRO A 19 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 141 CG PRO A 19 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 142 CD PRO A 19 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 143 N GLY A 20 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 144 CA GLY A 20 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 145 C GLY A 20 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 146 O GLY A 20 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 147 N THR A 21 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 148 CA THR A 21 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 149 C THR A 21 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 150 O THR A 21 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 151 CB THR A 21 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 152 OG1 THR A 21 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 153 CG2 THR A 21 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 154 N PRO A 22 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 155 CA PRO A 22 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 156 C PRO A 22 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 157 O PRO A 22 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 158 CB PRO A 22 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 159 CG PRO A 22 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 160 CD PRO A 22 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 161 N GLU A 23 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 162 CA GLU A 23 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 163 C GLU A 23 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 164 O GLU A 23 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 165 CB GLU A 23 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 166 CG GLU A 23 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 167 CD GLU A 23 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 168 OE1 GLU A 23 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 169 OE2 GLU A 23 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 170 N ALA A 24 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 171 CA ALA A 24 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 172 C ALA A 24 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 173 O ALA A 24 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 174 CB ALA A 24 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 175 N ILE A 25 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 176 CA ILE A 25 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 177 C ILE A 25 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 178 O ILE A 25 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 179 CB ILE A 25 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 180 CG1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 181 CG2 ILE A 25 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 182 CD1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 183 N CYS A 26 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 184 CA CYS A 26 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 185 C CYS A 26 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 186 O CYS A 26 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 187 CB CYS A 26 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 188 SG CYS A 26 0.000 0.000 0.000 1.00 0.00 S
79: ATOM 189 N ALA A 27 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 190 CA ALA A 27 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 191 C ALA A 27 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 192 O ALA A 27 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 193 CB ALA A 27 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 194 N THR A 28 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 195 CA THR A 28 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 196 C THR A 28 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 197 O THR A 28 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 198 CB THR A 28 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 199 OG1 THR A 28 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 200 CG2 THR A 28 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 201 N TYR A 29 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 202 CA TYR A 29 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 203 C TYR A 29 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 204 O TYR A 29 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 205 CB TYR A 29 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 206 CG TYR A 29 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 207 CD1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 208 CD2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 209 CE1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 210 CE2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 211 CZ TYR A 29 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 212 OH TYR A 29 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 213 N THR A 30 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 214 CA THR A 30 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 215 C THR A 30 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 216 O THR A 30 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 217 CB THR A 30 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 218 OG1 THR A 30 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 219 CG2 THR A 30 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 220 N GLY A 31 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 221 CA GLY A 31 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 222 C GLY A 31 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 223 O GLY A 31 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 224 N CYS A 32 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 225 CA CYS A 32 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 226 C CYS A 32 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 227 O CYS A 32 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 228 CB CYS A 32 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 229 SG CYS A 32 0.000 0.000 0.000 1.00 0.00 S
79: ATOM 230 N ILE A 33 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 231 CA ILE A 33 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 232 C ILE A 33 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 233 O ILE A 33 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 234 CB ILE A 33 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 235 CG1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 236 CG2 ILE A 33 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 237 CD1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 238 N ILE A 34 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 239 CA ILE A 34 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 240 C ILE A 34 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 241 O ILE A 34 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 242 CB ILE A 34 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 243 CG1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 244 CG2 ILE A 34 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 245 CD1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 246 N ILE A 35 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 247 CA ILE A 35 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 248 C ILE A 35 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 249 O ILE A 35 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 250 CB ILE A 35 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 251 CG1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 252 CG2 ILE A 35 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 253 CD1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 254 N PRO A 36 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 255 CA PRO A 36 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 256 C PRO A 36 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 257 O PRO A 36 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 258 CB PRO A 36 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 259 CG PRO A 36 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 260 CD PRO A 36 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 261 N GLY A 37 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 262 CA GLY A 37 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 263 C GLY A 37 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 264 O GLY A 37 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 265 N ALA A 38 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 266 CA ALA A 38 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 267 C ALA A 38 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 268 O ALA A 38 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 269 CB ALA A 38 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 270 N THR A 39 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 271 CA THR A 39 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 272 C THR A 39 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 273 O THR A 39 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 274 CB THR A 39 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 275 OG1 THR A 39 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 276 CG2 THR A 39 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 277 N CYS A 40 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 278 CA CYS A 40 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 279 C CYS A 40 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 280 O CYS A 40 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 281 CB CYS A 40 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 282 SG CYS A 40 0.000 0.000 0.000 1.00 0.00 S
79: ATOM 283 N PRO A 41 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 284 CA PRO A 41 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 285 C PRO A 41 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 286 O PRO A 41 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 287 CB PRO A 41 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 288 CG PRO A 41 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 289 CD PRO A 41 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 290 N GLY A 42 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 291 CA GLY A 42 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 292 C GLY A 42 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 293 O GLY A 42 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 294 N ASP A 43 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 295 CA ASP A 43 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 296 C ASP A 43 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 297 O ASP A 43 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 298 CB ASP A 43 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 299 CG ASP A 43 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 300 OD1 ASP A 43 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 301 OD2 ASP A 43 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 302 N TYR A 44 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 303 CA TYR A 44 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 304 C TYR A 44 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 305 O TYR A 44 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 306 CB TYR A 44 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 307 CG TYR A 44 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 308 CD1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 309 CD2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 310 CE1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 311 CE2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 312 CZ TYR A 44 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 313 OH TYR A 44 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 314 N ALA A 45 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 315 CA ALA A 45 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 316 C ALA A 45 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 317 O ALA A 45 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 318 CB ALA A 45 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 319 N ASN A 46 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 320 CA ASN A 46 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 321 C ASN A 46 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 322 O ASN A 46 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 323 CB ASN A 46 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 324 CG ASN A 46 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 325 OD1 ASN A 46 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 326 ND2 ASN A 46 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 327 OXT ASN A 46 0.000 0.000 0.000 1.00 0.00 O
79: CONECT 1 2
79: CONECT 2 3 5
79: CONECT 3 4 4 8
79: CONECT 5 6 7
79: CONECT 8 9
79: CONECT 9 10 12
79: CONECT 10 11 11 15
79: CONECT 12 13 14
79: CONECT 15 16
79: CONECT 16 17 19
79: CONECT 17 18 18 21
79: CONECT 19 20
79: CONECT 21 22
79: CONECT 22 23 25
79: CONECT 23 24 24 27
79: CONECT 25 26
79: CONECT 27 28 33
79: CONECT 28 29 31
79: CONECT 29 30 30 34
79: CONECT 31 32
79: CONECT 32 33
79: CONECT 34 35
79: CONECT 35 36 38
79: CONECT 36 37 37 40
79: CONECT 38 39
79: CONECT 40 41
79: CONECT 41 42 44
79: CONECT 42 43 43 48
79: CONECT 44 45 46
79: CONECT 46 47
79: CONECT 48 49
79: CONECT 49 50 52
79: CONECT 50 51 51 55
79: CONECT 52 53 54
79: CONECT 55 56
79: CONECT 56 57 59
79: CONECT 57 58 58 60
79: CONECT 60 61
79: CONECT 61 62 64
79: CONECT 62 63 63 71
79: CONECT 64 65
79: CONECT 65 66
79: CONECT 66 67
79: CONECT 67 68
79: CONECT 68 69 69 70
79: CONECT 71 72
79: CONECT 72 73 75
79: CONECT 73 74 74 77
79: CONECT 75 76
79: CONECT 77 78
79: CONECT 78 79 81
79: CONECT 79 80 80 85
79: CONECT 81 82
79: CONECT 82 83 83 84
79: CONECT 85 86
79: CONECT 86 87 89
79: CONECT 87 88 88 96
79: CONECT 89 90
79: CONECT 90 91 91 92
79: CONECT 91 93
79: CONECT 92 94 94
79: CONECT 93 95 95
79: CONECT 94 95
79: CONECT 96 97
79: CONECT 97 98 100
79: CONECT 98 99 99 104
79: CONECT 100 101
79: CONECT 101 102 102 103
79: CONECT 104 105
79: CONECT 105 106 108
79: CONECT 106 107 107 111
79: CONECT 108 109 110
79: CONECT 111 112
79: CONECT 112 113 115
79: CONECT 113 114 114 117
79: CONECT 115 116
79: CONECT 117 118
79: CONECT 118 119 121
79: CONECT 119 120 120 128
79: CONECT 121 122
79: CONECT 122 123
79: CONECT 123 124
79: CONECT 124 125
79: CONECT 125 126 126 127
79: CONECT 128 129
79: CONECT 129 130 132
79: CONECT 130 131 131 136
79: CONECT 132 133
79: CONECT 133 134 135
79: CONECT 136 137 142
79: CONECT 137 138 140
79: CONECT 138 139 139 143
79: CONECT 140 141
79: CONECT 141 142
79: CONECT 143 144
79: CONECT 144 145
79: CONECT 145 146 146 147
79: CONECT 147 148
79: CONECT 148 149 151
79: CONECT 149 150 150 154
79: CONECT 151 152 153
79: CONECT 154 155 160
79: CONECT 155 156 158
79: CONECT 156 157 157 161
79: CONECT 158 159
79: CONECT 159 160
79: CONECT 161 162
79: CONECT 162 163 165
79: CONECT 163 164 164 170
79: CONECT 165 166
79: CONECT 166 167
79: CONECT 167 168 168 169
79: CONECT 170 171
79: CONECT 171 172 174
79: CONECT 172 173 173 175
79: CONECT 175 176
79: CONECT 176 177 179
79: CONECT 177 178 178 183
79: CONECT 179 180 181
79: CONECT 181 182
79: CONECT 183 184
79: CONECT 184 185 187
79: CONECT 185 186 186 189
79: CONECT 187 188
79: CONECT 189 190
79: CONECT 190 191 193
79: CONECT 191 192 192 194
79: CONECT 194 195
79: CONECT 195 196 198
79: CONECT 196 197 197 201
79: CONECT 198 199 200
79: CONECT 201 202
79: CONECT 202 203 205
79: CONECT 203 204 204 213
79: CONECT 205 206
79: CONECT 206 207 207 208
79: CONECT 207 209
79: CONECT 208 210 210
79: CONECT 209 211 211
79: CONECT 210 211
79: CONECT 211 212
79: CONECT 213 214
79: CONECT 214 215 217
79: CONECT 215 216 216 220
79: CONECT 217 218 219
79: CONECT 220 221
79: CONECT 221 222
79: CONECT 222 223 223 224
79: CONECT 224 225
79: CONECT 225 226 228
79: CONECT 226 227 227 230
79: CONECT 228 229
79: CONECT 230 231
79: CONECT 231 232 234
79: CONECT 232 233 233 238
79: CONECT 234 235 236
79: CONECT 236 237
79: CONECT 238 239
79: CONECT 239 240 242
79: CONECT 240 241 241 246
79: CONECT 242 243 244
79: CONECT 244 245
79: CONECT 246 247
79: CONECT 247 248 250
79: CONECT 248 249 249 254
79: CONECT 250 251 252
79: CONECT 252 253
79: CONECT 254 255 260
79: CONECT 255 256 258
79: CONECT 256 257 257 261
79: CONECT 258 259
79: CONECT 259 260
79: CONECT 261 262
79: CONECT 262 263
79: CONECT 263 264 264 265
79: CONECT 265 266
79: CONECT 266 267 269
79: CONECT 267 268 268 270
79: CONECT 270 271
79: CONECT 271 272 274
79: CONECT 272 273 273 277
79: CONECT 274 275 276
79: CONECT 277 278
79: CONECT 278 279 281
79: CONECT 279 280 280 283
79: CONECT 281 282
79: CONECT 283 284 289
79: CONECT 284 285 287
79: CONECT 285 286 286 290
79: CONECT 287 288
79: CONECT 288 289
79: CONECT 290 291
79: CONECT 291 292
79: CONECT 292 293 293 294
79: CONECT 294 295
79: CONECT 295 296 298
79: CONECT 296 297 297 302
79: CONECT 298 299
79: CONECT 299 300 300 301
79: CONECT 302 303
79: CONECT 303 304 306
79: CONECT 304 305 305 314
79: CONECT 306 307
79: CONECT 307 308 308 309
79: CONECT 308 310
79: CONECT 309 311 311
79: CONECT 310 312 312
79: CONECT 311 312
79: CONECT 312 313
79: CONECT 314 315
79: CONECT 315 316 318
79: CONECT 316 317 317 319
79: CONECT 319 320
79: CONECT 320 321 323
79: CONECT 321 322 322 327
79: CONECT 323 324
79: CONECT 324 325 325 326
79: END
79:
79: Sequence: GREG
79: HELM: PEPTIDE1{G.R.E.G}$$$$
79: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O
79: PDB:
79: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O
79: CONECT 1 2
79: CONECT 2 3
79: CONECT 3 4 4 5
79: CONECT 5 6
79: CONECT 6 7 9
79: CONECT 7 8 8 16
79: CONECT 9 10
79: CONECT 10 11
79: CONECT 11 12
79: CONECT 12 13
79: CONECT 13 14 14 15
79: CONECT 16 17
79: CONECT 17 18 20
79: CONECT 18 19 19 25
79: CONECT 20 21
79: CONECT 21 22
79: CONECT 22 23 23 24
79: CONECT 25 26
79: CONECT 26 27
79: CONECT 27 28 28 29
79: END
79:
79: Sequence: CYIQNCPLG
79: HELM: PEPTIDE1{C.Y.I.Q.N.C.P.L.G.[am]}$PEPTIDE1,PEPTIDE1,1:R3-6:R3$$$
79: 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
79: PDB:
79: ATOM 1 N CYS A 1 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 2 CA CYS A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 3 C CYS A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 4 O CYS A 1 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 5 CB CYS A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 6 SG CYS A 1 0.000 0.000 0.000 1.00 0.00 S
79: ATOM 7 N TYR A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 8 CA TYR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 9 C TYR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 10 O TYR A 2 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 11 CB TYR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 12 CG TYR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 13 CD1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 14 CD2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 15 CE1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 16 CE2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 17 CZ TYR A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 18 OH TYR A 2 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 19 N ILE A 3 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 20 CA ILE A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 21 C ILE A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 22 O ILE A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 23 CB ILE A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 24 CG1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 25 CG2 ILE A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 26 CD1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 27 N GLN A 4 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 28 CA GLN A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 29 C GLN A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 30 O GLN A 4 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 31 CB GLN A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 32 CG GLN A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 33 CD GLN A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 34 OE1 GLN A 4 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 35 NE2 GLN A 4 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 36 N ASN A 5 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 37 CA ASN A 5 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 38 C ASN A 5 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 39 O ASN A 5 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 40 CB ASN A 5 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 41 CG ASN A 5 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 42 OD1 ASN A 5 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 43 ND2 ASN A 5 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 44 N CYS A 6 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 45 CA CYS A 6 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 46 C CYS A 6 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 47 O CYS A 6 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 48 CB CYS A 6 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 49 SG CYS A 6 0.000 0.000 0.000 1.00 0.00 S
79: ATOM 50 N PRO A 7 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 51 CA PRO A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 52 C PRO A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 53 O PRO A 7 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 54 CB PRO A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 55 CG PRO A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 56 CD PRO A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 57 N LEU A 8 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 58 CA LEU A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 59 C LEU A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 60 O LEU A 8 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 61 CB LEU A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 62 CG LEU A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 63 CD1 LEU A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 64 CD2 LEU A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 65 N GLY A 9 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 66 CA GLY A 9 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 67 C GLY A 9 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 68 O GLY A 9 0.000 0.000 0.000 1.00 0.00 O
79: HETATM 69 N NH2 A 10 0.000 0.000 0.000 1.00 0.00 N
79: CONECT 1 2
79: CONECT 2 3 5
79: CONECT 3 4 4 7
79: CONECT 5 6
79: CONECT 6 49
79: CONECT 7 8
79: CONECT 8 9 11
79: CONECT 9 10 10 19
79: CONECT 11 12
79: CONECT 12 13 13 14
79: CONECT 13 15
79: CONECT 14 16 16
79: CONECT 15 17 17
79: CONECT 16 17
79: CONECT 17 18
79: CONECT 19 20
79: CONECT 20 21 23
79: CONECT 21 22 22 27
79: CONECT 23 24 25
79: CONECT 25 26
79: CONECT 27 28
79: CONECT 28 29 31
79: CONECT 29 30 30 36
79: CONECT 31 32
79: CONECT 32 33
79: CONECT 33 34 34 35
79: CONECT 36 37
79: CONECT 37 38 40
79: CONECT 38 39 39 44
79: CONECT 40 41
79: CONECT 41 42 42 43
79: CONECT 44 45
79: CONECT 45 46 48
79: CONECT 46 47 47 50
79: CONECT 48 49
79: CONECT 50 51 56
79: CONECT 51 52 54
79: CONECT 52 53 53 57
79: CONECT 54 55
79: CONECT 55 56
79: CONECT 57 58
79: CONECT 58 59 61
79: CONECT 59 60 60 65
79: CONECT 61 62
79: CONECT 62 63 64
79: CONECT 65 66
79: CONECT 66 67
79: CONECT 67 68 68 69
79: END
79:
79: Sequence: LfPVXLfPVX
79: HELM: PEPTIDE1{L.[dF].P.V.[Orn].L.[dF].P.V.[Orn]}$PEPTIDE1,PEPTIDE1,10:R2-1:R1$$$
79: 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
79: PDB:
79: ATOM 1 N LEU A 1 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 2 CA LEU A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 3 C LEU A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 4 O LEU A 1 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 5 CB LEU A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 6 CG LEU A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 7 CD1 LEU A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 8 CD2 LEU A 1 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 9 N DPN A 2 0.000 0.000 0.000 1.00 0.00 N
79: HETATM 10 CA DPN A 2 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 11 C DPN A 2 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 12 O DPN A 2 0.000 0.000 0.000 1.00 0.00 O
79: HETATM 13 CB DPN A 2 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 14 CG DPN A 2 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 15 CD1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 16 CD2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 17 CE1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 18 CE2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 19 CZ DPN A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 20 N PRO A 3 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 21 CA PRO A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 22 C PRO A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 23 O PRO A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 24 CB PRO A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 25 CG PRO A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 26 CD PRO A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 27 N VAL A 4 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 28 CA VAL A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 29 C VAL A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 30 O VAL A 4 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 31 CB VAL A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 32 CG1 VAL A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 33 CG2 VAL A 4 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 34 N ORN A 5 0.000 0.000 0.000 1.00 0.00 N
79: HETATM 35 CA ORN A 5 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 36 C ORN A 5 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 37 O ORN A 5 0.000 0.000 0.000 1.00 0.00 O
79: HETATM 38 CB ORN A 5 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 39 CG ORN A 5 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 40 CD ORN A 5 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 41 NE ORN A 5 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 42 N LEU A 6 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 43 CA LEU A 6 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 44 C LEU A 6 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 45 O LEU A 6 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 46 CB LEU A 6 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 47 CG LEU A 6 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 48 CD1 LEU A 6 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 49 CD2 LEU A 6 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 50 N DPN A 7 0.000 0.000 0.000 1.00 0.00 N
79: HETATM 51 CA DPN A 7 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 52 C DPN A 7 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 53 O DPN A 7 0.000 0.000 0.000 1.00 0.00 O
79: HETATM 54 CB DPN A 7 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 55 CG DPN A 7 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 56 CD1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 57 CD2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 58 CE1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 59 CE2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 60 CZ DPN A 7 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 61 N PRO A 8 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 62 CA PRO A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 63 C PRO A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 64 O PRO A 8 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 65 CB PRO A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 66 CG PRO A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 67 CD PRO A 8 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 68 N VAL A 9 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 69 CA VAL A 9 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 70 C VAL A 9 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 71 O VAL A 9 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 72 CB VAL A 9 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 73 CG1 VAL A 9 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 74 CG2 VAL A 9 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 75 N ORN A 10 0.000 0.000 0.000 1.00 0.00 N
79: HETATM 76 CA ORN A 10 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 77 C ORN A 10 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 78 O ORN A 10 0.000 0.000 0.000 1.00 0.00 O
79: HETATM 79 CB ORN A 10 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 80 CG ORN A 10 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 81 CD ORN A 10 0.000 0.000 0.000 1.00 0.00 C
79: HETATM 82 NE ORN A 10 0.000 0.000 0.000 1.00 0.00 N
79: CONECT 1 2 77
79: CONECT 2 3 5
79: CONECT 3 4 4 9
79: CONECT 5 6
79: CONECT 6 7 8
79: CONECT 9 10
79: CONECT 10 11 13
79: CONECT 11 12 12 20
79: CONECT 13 14
79: CONECT 14 15 15 16
79: CONECT 15 17
79: CONECT 16 18 18
79: CONECT 17 19 19
79: CONECT 18 19
79: CONECT 20 21 26
79: CONECT 21 22 24
79: CONECT 22 23 23 27
79: CONECT 24 25
79: CONECT 25 26
79: CONECT 27 28
79: CONECT 28 29 31
79: CONECT 29 30 30 34
79: CONECT 31 32 33
79: CONECT 34 35
79: CONECT 35 36 38
79: CONECT 36 37 37 42
79: CONECT 38 39
79: CONECT 39 40
79: CONECT 40 41
79: CONECT 42 43
79: CONECT 43 44 46
79: CONECT 44 45 45 50
79: CONECT 46 47
79: CONECT 47 48 49
79: CONECT 50 51
79: CONECT 51 52 54
79: CONECT 52 53 53 61
79: CONECT 54 55
79: CONECT 55 56 56 57
79: CONECT 56 58
79: CONECT 57 59 59
79: CONECT 58 60 60
79: CONECT 59 60
79: CONECT 61 62 67
79: CONECT 62 63 65
79: CONECT 63 64 64 68
79: CONECT 65 66
79: CONECT 66 67
79: CONECT 68 69
79: CONECT 69 70 72
79: CONECT 70 71 71 75
79: CONECT 72 73 74
79: CONECT 75 76
79: CONECT 76 77 79
79: CONECT 77 78 78
79: CONECT 79 80
79: CONECT 80 81
79: CONECT 81 82
79: END
79:
79: Sequence: GREG
79: HELM: PEPTIDE1{G.R.E.G}$$$$
79: Smiles: N=C(N)NCCCC(NC(=O)CN)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O
79: PDB:
79: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 23 OD1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 24 OD2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N
79: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C
79: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O
79: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O
79: CONECT 1 2
79: CONECT 2 3
79: CONECT 3 4 4 5
79: CONECT 5 6
79: CONECT 6 7 9
79: CONECT 7 8 8 16
79: CONECT 9 10
79: CONECT 10 11
79: CONECT 11 12
79: CONECT 12 13
79: CONECT 13 14 14 15
79: CONECT 16 17
79: CONECT 17 18 20
79: CONECT 18 19 19 25
79: CONECT 20 21
79: CONECT 21 22
79: CONECT 22 23 23 24
79: CONECT 25 26
79: CONECT 26 27
79: CONECT 27 28 28 29
79: END
79:
68: .....
68: ----------------------------------------------------------------------
68: Ran 19 tests in 0.510s
68:
68: OK
69/235 Test #79: testSequence ........................... Passed 0.08 sec
test 81
Start 81: fileParsersCatchTest
81: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
81: Test timeout computed to be: 1500
70: ----------------------------------
70: ----------------------------------
70: [00:53:07]
70:
70: ****
70: Pre-condition Violation
70: rlabel out of range for MDL files
70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
70: Failed Expression: rlabel >= 0 && rlabel < 100
70: ----------
70: Stacktrace:
70: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
70: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
70: 2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
70: 3# 0x0000AAAAB9E0F2FC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 4# 0x0000AAAAB9E74BA4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 5# 0x0000AAAAB9DE5CB8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 6# 0x0000FFFF9C9C229C in /lib/aarch64-linux-gnu/libc.so.6
70: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
70: 8# 0x0000AAAAB9DE5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: ----------
70: ****
70:
70: [00:53:07] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
70/235 Test #80: testExtendedStereoParsing .............. Passed 0.07 sec
test 82
Start 82: testPropertyLists
82: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testPropertyLists
82: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
82: Test timeout computed to be: 1500
82: Randomness seeded to: 2768470353
82: ===============================================================================
82: All tests passed (95 assertions in 4 test cases)
82:
71/235 Test #82: testPropertyLists ...................... Passed 0.03 sec
test 83
Start 83: XYZFileParserCatchTest
83: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest
83: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
83: Test timeout computed to be: 1500
81: Randomness seeded to: 1714965867
81: [00:53:07] SGroup SAP line too short: 'M SAP 1 1 8' on line 29
81: [00:53:07] SGroup SAP line too short: 'M SAP 1 1 8' on line 28
81: [00:53:07] Could not infer missing lvIdx on malformed SAP line for SGroup 1
81: [00:53:07] SGroup 1 is invalid and will be ignored
81: [00:53:07] SGroup SAP line too short: 'M SAP 1 1 8' on line 28
81: [00:53:07] Could not infer missing lvIdx on malformed SAP line for SGroup 1
81: [00:53:07] SGroup 1 is invalid and will be ignored
81: [00:53:07] SGroup SAP line too short: 'M SAP 1 1 8' on line 35
81: [00:53:07] SGroup SAP line too short: 'M SAP 2 1 12' on line 39
81: [00:53:07] SGroup SAP line too short: 'M SAP 1 1 8' on line 34
81: [00:53:07] SGroup SAP line too short: 'M SAP 2 1 12' on line 38
81: [00:53:07] Could not infer missing lvIdx on malformed SAP line for SGroup 1
81: [00:53:07] SGroup 1 is invalid and will be ignored
81: [00:53:07] SGroup SAP line too short: 'M SAP 1 1 8' on line 34
81: [00:53:07] SGroup SAP line too short: 'M SAP 2 1 12' on line 39
81: [00:53:07] Could not infer missing lvIdx on malformed SAP line for SGroup 1
81: [00:53:07] SGroup 1 is invalid and will be ignored
81: [00:53:07] SGroup 3 referenced on line 40 not found.
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: no bonds
81: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp
81: Failed Expression: !d_bonds.empty()
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 4# 0x0000FFFF9DE4EE88 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# 0x0000AAAAD2F19D7C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 8# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 16# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] SGroup 3 referenced on line 40 not found.
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: no bonds
81: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp
81: Failed Expression: !d_bonds.empty()
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 4# 0x0000FFFF9DE4EE88 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# 0x0000AAAAD2F19DFC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 8# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 16# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] no bonds
81: [00:53:07] SGroup 1 is invalid and will be ignored
81: [00:53:07] SGroup line too short: 'M SBV 1 6' on line 42
81: [00:53:07] SGroup 1 is invalid and will be ignored
81: [00:53:07] SGroup line too short: 'M SBL 2 3 9 10' on line 46
81: [00:53:07] SGroup 2 is invalid and will be ignored
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_bondBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# 0x0000FFFF9DE4EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# 0x0000AAAAD2F1A7A4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 17# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_bondBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# 0x0000FFFF9DE4EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# 0x0000AAAAD2F1A824 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 17# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] bookmark not found
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bond is not part of the SubstanceGroup
81: Violation occurred on line 200 in file ./Code/GraphMol/SubstanceGroup.cpp
81: Failed Expression: std::find(d_bonds.begin(), d_bonds.end(), bondIdx) != d_bonds.end()
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::SubstanceGroup::getBondType(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# 0x0000FFFF9DE4EE88 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# 0x0000AAAAD2F1A824 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 17# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] bond is not part of the SubstanceGroup
81: [00:53:07] SGroup 2 is invalid and will be ignored
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_atomBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# 0x0000FFFF9DE4EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# 0x0000AAAAD2F1AB14 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 17# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_atomBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# 0x0000FFFF9DE4EDF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# 0x0000AAAAD2F1AB94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 17# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] bookmark not found
81: [00:53:07] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup.
81: [00:53:07] SGroup 2 is invalid and will be ignored
81: [00:53:07] WARNING: final character of V3000 array is not ')'
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_bondBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::__cxx11::basic_stringstream<char, std::char_traits<char>, std::allocator<char> >&, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2F18798 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] WARNING: final character of V3000 array is not ')'
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_bondBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::__cxx11::basic_stringstream<char, std::char_traits<char>, std::allocator<char> >&, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2F18814 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] bookmark not found
81: [00:53:07] SGroup 1 is invalid and will be ignored
81: [00:53:07] WARNING: final character of V3000 array is not ')'
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_atomBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::__cxx11::basic_stringstream<char, std::char_traits<char>, std::allocator<char> >&, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2F18AE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] WARNING: final character of V3000 array is not ')'
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_atomBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::__cxx11::basic_stringstream<char, std::char_traits<char>, std::allocator<char> >&, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2F18B64 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] bookmark not found
81: [00:53:07] SGroup 1 is invalid and will be ignored
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_bondBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::__cxx11::basic_stringstream<char, std::char_traits<char>, std::allocator<char> >&, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2F18E38 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_bondBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::__cxx11::basic_stringstream<char, std::char_traits<char>, std::allocator<char> >&, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2F18EB4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] bookmark not found
81: [00:53:07] SGroup 2 is invalid and will be ignored
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_atomBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::__cxx11::basic_stringstream<char, std::char_traits<char>, std::allocator<char> >&, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2F19188 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: bookmark not found
81: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: (lu != d_atomBookmarks.end())
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 4# RDKit::SGroupParsing::ParseV3000ParseLabel(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::__cxx11::basic_stringstream<char, std::char_traits<char>, std::allocator<char> >&, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >&, unsigned int, RDKit::SubstanceGroup&, unsigned long, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# RDKit::SGroupParsing::ParseV3000SGroupsBlock[abi:cxx11](std::istream*, unsigned int, unsigned int, RDKit::RWMol*, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2F19204 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] bookmark not found
81: [00:53:07] SGroup 2 is invalid and will be ignored
81: [00:53:07] Explicit valence for atom # 2 O, 3, is greater than permitted
81: [00:53:07] Explicit valence for atom # 1 O, 3, is greater than permitted
81: [00:53:07] Explicit valence for atom # 1 C, 5, is greater than permitted
72/235 Test #68: pyDepictor ............................. Passed 1.01 sec
81: [00:53:07] sanitize [00:53:07] UNK: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
test 84
Start 84: cdxmlParserCatchTest
84: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest
84: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
84: Test timeout computed to be: 1500
81: [00:53:07] skipping block at line 7: 'BEGIN ATOM'
81: ATOM 1 CHLO CHL 0 0.000 0.000 0.000 1.00 0.00 CL
81: END
81:
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: no stream
81: Violation occurred on line 133 in file ./Code/GraphMol/FileParsers/SDMolSupplier.cpp
81: Failed Expression: dp_inStream
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::v2::FileParsers::SDMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 3# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 4# 0x0000AAAAD2F0B1A4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: no stream
81: Violation occurred on line 187 in file ./Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp
81: Failed Expression: dp_inStream
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::v2::FileParsers::ForwardSDMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 3# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 4# 0x0000AAAAD2F0B314 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: no stream
81: Violation occurred on line 409 in file ./Code/GraphMol/FileParsers/SmilesMolSupplier.cpp
81: Failed Expression: dp_inStream
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::v2::FileParsers::SmilesMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 3# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 4# 0x0000AAAAD2F0B648 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: no stream
81: Violation occurred on line 264 in file ./Code/GraphMol/FileParsers/TDTMolSupplier.cpp
81: Failed Expression: dp_inStream
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::v2::FileParsers::TDTMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 3# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 4# 0x0000AAAAD2F0B8E4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: no stream
81: Violation occurred on line 577 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
81: Failed Expression: dp_sInStream != nullptr
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 3# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 4# 0x0000AAAAD2F0BADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] Found a SCD/SED line with missing/empty SDT specification at line 21
81: [00:53:07] Found a SCD/SED line with missing/empty SDT specification at line 20
81: [00:53:07] BEGIN SGROUP line not found on line 14
81: [00:53:07] Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped.
81: [00:53:07] END SGROUP line not found on line 14
81: [00:53:07] END SGROUP line not found on line 14
81: [00:53:07] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring.
81: [00:53:07] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring.
81: [00:53:07]
81:
81: ****
81: Range Error
81: idx
81: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
81: Failed Expression: 99 < 9
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
81: 3# RDKit::FileParserUtils::finishMolProcessing(RDKit::RWMol*, bool, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 4# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# 0x0000AAAAD2F4EB34 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 7# 0x0000AAAAD2F10B30 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 8# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 15# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 16# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring.
81: [00:53:07] Multiple ATTCHPT values for atom 2 on line 9
81: [00:53:07] Found a SCD/SED line with missing/empty SDT specification at line 12
81: [00:53:07] SMARTS Parse Error: syntax error while parsing: [#6;R
81: [00:53:07] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R'
81: [00:53:07] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it.
81: [00:53:07] Skipping empty SMARTS value for SMARTSQ.
81: [00:53:07] unrecognized QUERYOP '>' for SMARTSQ. Query ignored.
81: [00:53:07] Found a SCD/SED line with missing/empty SDT specification at line 12
81: [00:53:07] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
83: Randomness seeded to: 1470123064
83: ===============================================================================
83: All tests passed (100 assertions in 2 test cases)
83:
81: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
81: [00:53:07] WARNING: Skipping property bar because the value includes an illegal blank line
81: [00:53:07] WARNING: Skipping property baz because the value includes an illegal blank line
81: [00:53:07] WARNING: Skipping property bletch
81: nope because the name includes a newline
81: [00:53:07] WARNING: Skipping property bletch
81: nope2 because the name includes a newline
81: [00:53:07]
81:
81: ****
81: Post-condition Violation
81: Element 'QQQ' not found
81: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
81: Failed Expression: anum > -1
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 3# 0x0000FFFF9DE37FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 4# 0x0000FFFF9DE48230 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# 0x0000FFFF9DE48E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2EE4FB4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Post-condition Violation
81: Element 'QQQ' not found
81: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
81: Failed Expression: anum > -1
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 3# 0x0000FFFF9DE37FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 4# 0x0000FFFF9DE48230 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# 0x0000FFFF9DE48E6C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2EE48D8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Post-condition Violation
81: Element 'QQQ' not found
81: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
81: Failed Expression: anum > -1
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 3# 0x0000FFFF9DE37FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 4# 0x0000FFFF9DE45BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# 0x0000FFFF9DE46AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2EE4F70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Post-condition Violation
81: Element 'QQQ' not found
81: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
81: Failed Expression: anum > -1
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 3# 0x0000FFFF9DE37FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 4# 0x0000FFFF9DE45BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 5# 0x0000FFFF9DE46AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 9# 0x0000AAAAD2EE4CA8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 13# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 14# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 15# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 16# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 17# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 18# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07] atom 3 has a negative isotope value. line: 15
73/235 Test #83: XYZFileParserCatchTest ................. Passed 0.06 sec
81: [00:53:07]
81:
81: ****
81: Invariant Violation
81: bad prop value
81: Violation occurred on line 155 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
81: Failed Expression: nSwaps < 2
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# 0x0000FFFF9DF05C7C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 4# 0x0000AAAAD2F4EEC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 5# 0x0000AAAAD2F21EA0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 6# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 7# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 8# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 12# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 14# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
81: [00:53:07]
81:
81: ****
81: Pre-condition Violation
81: no input stream
81: Violation occurred on line 544 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
81: Failed Expression: dp_sInStream
81: ----------
81: Stacktrace:
81: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
81: 2# RDKit::v2::FileParsers::MaeMolSupplier::init() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 3# RDKit::v2::FileParsers::MaeMolSupplier::reset() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
81: 4# 0x0000AAAAD2F221C4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 5# 0x0000AAAAD2F90B8C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 6# 0x0000AAAAD2F91540 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 7# 0x0000AAAAD2F91974 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 8# 0x0000AAAAD2F64E18 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 9# 0x0000AAAAD2F65364 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 10# 0x0000AAAAD2EDC1F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: 11# 0x0000FFFF9D51229C in /lib/aarch64-linux-gnu/libc.so.6
81: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
81: 13# 0x0000AAAAD2EDC2B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
81: ----------
81: ****
81:
test 85
Start 85: molfileStereoCatchTest
85: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest
85: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
85: Test timeout computed to be: 1500
84: Randomness seeded to: 1391323868
84: [00:53:07] Invalid or missing fragment id from CDXML fragment, assigning new one...
84: [00:53:07] Explicit valence for atom # 3 N, 4, is greater than permitted
84: [00:53:07] CDXMLParser: failed sanitizing skipping fragment 32
84: [00:53:07] Bad bond in CDXML skipping fragment 58...
84: [00:53:07] Invalid or missing fragment id from CDXML fragment, assigning new one...
84: [00:53:07] Bad bond in CDXML skipping fragment 58...
81: [00:53:07] ERROR: molecules without atoms cannot be exported to Maestro files.
81: [00:53:07] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
81: [00:53:07] ERROR: the mol cannot be kekulized, and will not be written to the output file.
81: [00:53:07] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file.
84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
84: [00:53:07] WARNING: not removing hydrogen atom without neighbors
84: [00:53:07] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents reaction fragment 64603 not found in document.
81: [00:53:07] 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.[00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
81: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
81: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
81: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
85: Randomness seeded to: 913775441
85: [00:53:07] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
85: [00:53:07] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
85: [00:53:07] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
85: [00:53:07] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
85: ===============================================================================
85: All tests passed (142 assertions in 6 test cases)
85:
74/235 Test #85: molfileStereoCatchTest ................. Passed 0.05 sec
test 86
Start 86: connectTheDotsTest
86: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest
86: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
86: Test timeout computed to be: 1500
84: [00:53:07] Incomplete atom labelling, cannot make bond
84: [00:53:07] Incomplete atom labelling, cannot make bond
84: [00:53:07] Incomplete atom labelling, cannot make bond
84: [00:53:07] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
84: [00:53:07] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
84: [00:53:07] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast
84: [00:53:07] Failed to parse XML fragment 5 node: b attribute: Order: 5
84: [00:53:07] Invalid or missing fragment id from CDXML fragment, assigning new one...
86: Randomness seeded to: 57821718
86: ===============================================================================
86: All tests passed (8 assertions in 1 test case)
86:
84: ===============================================================================
84: All tests passed (263 assertions in 7 test cases)
84:
75/235 Test #84: cdxmlParserCatchTest ................... Passed 0.12 sec
test 87
Start 87: v2MolSuppliers
87: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/v2MolSuppliers
87: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
87: Test timeout computed to be: 1500
76/235 Test #86: connectTheDotsTest ..................... Passed 0.05 sec
test 88
Start 88: v2FileParsersCatchTest
88: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/v2FileParsersCatchTest
88: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
88: Test timeout computed to be: 1500
41: [00:53:07] done: 500000
41: [00:53:07] Done
87: Randomness seeded to: 2090271150
87: ===============================================================================
87: All tests passed (12 assertions in 5 test cases)
87:
77/235 Test #87: v2MolSuppliers ......................... Passed 0.03 sec
test 89
Start 89: multithreadedSupplierCatchTest
89: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/multithreadedSupplierCatchTest
89: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
89: Test timeout computed to be: 1500
70: [00:53:07] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
70: [00:53:07] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
88: Randomness seeded to: 1783900150
88: ===============================================================================
88: All tests passed (6 assertions in 1 test case)
88:
41: [00:53:07] Testing hanoi with a functor.
78/235 Test #88: v2FileParsersCatchTest ................. Passed 0.04 sec
test 90
Start 90: testSubstructMatch
90: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
90: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct
90: Test timeout computed to be: 1500
41: [00:53:07] Done
41: [00:53:07] Testing basic partition refinement.
41: [00:53:07] Done
41: [00:53:07] Testing partition refinement with neighbors.
41: [00:53:07] Done
41: [00:53:07] testing canonicalization via tie breaking.
41: [00:53:07] Done
41: [00:53:07] testing canonicalization using the wrapper.
90: ----------------- Test 1
90: Done
90:
90: ----------------- Test 2
90: Done
90:
90: ----------------- Test 3
90: Done
90:
90: ----------------- Test 4
90: Done
90:
90: ----------------- Test 5
90: Done
90:
90: ----------------- Test 5 QueryRoot
90: Done
90:
90: ----------------- Test 6 (Issue71 related)
90: Done
90:
90: ----------------- Testing serial numbers on recursive queries
90: Done
90:
90: [00:53:07] -------------------------------------
90: [00:53:07] Test multithreading
90: reading molecules
70: [00:53:07] Empty atom list: 'M ALS 1 0 F' on line 8.
70: de_DE.UTF-8
70: [00:53:07] -------------------------------------
70: [00:53:07] Test multithreading Locale Switching
41: [00:53:07] Done
41: [00:53:07] testing some specific ordering problems
41: [00:53:07] Finished
41: [00:53:07] testing chiral invariants.
41: [00:53:07] Finished
41: [00:53:07] testing unique ranks in w.r.t. renumbering.
90: hits: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
90: processing
90: launch :0
90: launch :1
90: launch :2
90: launch :3
70: [00:53:07] Test multithreading (Done)
70: [00:53:07] -------------------------------------
70: ***************************************
70: ***************************************
70: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
70: [00:53:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
70: [00:53:07] bond with order 0 found on line 7. This is not part of the MDL specification.
70: [00:53:07] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
70: [00:53:07] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
70: [00:53:07] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
70: generating smiles
70: 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
70: converting back
41: [00:53:07] Finished
41: [00:53:07] testing mol fragments.
41: [00:53:07] Finished
41: [00:53:07] testing protein round-tripping.
70: check isomorphism
90: done
90: hits2: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
90: processing2
90: launch2 :0
90: launch2 :1
90: launch2 :2
90: launch2 :3
90: done
90: preprocessing 3
90: hits3: 1110100011001000010011100110100011011000010101000100110010101111011100101000001111110000010100100110
90: processing3
90: launch3 :0
90: launch3 :1
90: launch3 :2
90: launch3 :3
90: done
90: [00:53:07] done
90: [00:53:07] -------------------------------------
90: [00:53:07] Test GitHub issue 15
90: [00:53:07] done
90: [00:53:07] -------------------------------------
90: [00:53:07] Test GitHub issue 409
90: [00:53:07] done
90: [00:53:07] -------------------------------------
90: [00:53:07] Test chiral matching
90: [00:53:07] done
90: [00:53:07] -------------------------------------
90: [00:53:07] Test GitHub issue 688: partially specified chiral substructure queries don't work properly
90: [00:53:07] done
90: [00:53:07] -------------------------------------
90: [00:53:07] Test dative-bond matching
90: [00:53:07] done
90: [00:53:07] -------------------------------------
90: [00:53:07] Test cis/trans matching
90: [00:53:07] done
90: [00:53:07] -------------------------------------
90: [00:53:07] Test cis/trans matching part 2
90: [00:53:07] done
90: [00:53:07] -------------------------------------
90: [00:53:07] Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS
90: [00:53:07] done
90: [00:53:07] -------------------------------------
90: [00:53:07] Testing matching E/Z against Cis/Trans stereo bonds
90: [00:53:07]
90:
90: ****
90: Pre-condition Violation
90: matches must not be empty
90: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
90: Failed Expression: !matches.empty()
90: ----------
90: Stacktrace:
90: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
90: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
90: 2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
90: 3# RDKit::getMostSubstitutedCoreMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
90: 4# 0x0000AAAABB0DAED0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
90: 5# 0x0000AAAABB0C9AE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
90: 6# 0x0000FFFFBC66229C in /lib/aarch64-linux-gnu/libc.so.6
90: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
90: 8# 0x0000AAAABB0C9CF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
90: ----------
90: ****
90:
90: [00:53:07]
90:
90: ****
90: Pre-condition Violation
90: matches must not be empty
90: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
90: Failed Expression: !matches.empty()
90: ----------
90: Stacktrace:
90: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
90: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
90: 2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
90: 3# RDKit::sortMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
90: 4# 0x0000AAAABB0DB520 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
90: 5# 0x0000AAAABB0C9AE8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
90: 6# 0x0000FFFFBC66229C in /lib/aarch64-linux-gnu/libc.so.6
90: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
90: 8# 0x0000AAAABB0C9CF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
90: ----------
90: ****
90:
90: [00:53:07] -------------------------------------
90: [00:53:07] Test substructure matching with a pathological case for symmetric SSSR
90: [00:53:07] -------------------------------------
90: [00:53:07] Test isAtomTerminalRGroupOrQueryHydrogen
79/235 Test #90: testSubstructMatch ..................... Passed 0.24 sec
test 91
Start 91: substructTestCatch
91: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch
91: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Substruct
91: Test timeout computed to be: 1500
41: [00:53:08] Finished
41: [00:53:08] testing stability w.r.t. renumbering.
41: [00:53:08] Finished
41: [00:53:08] testing smiles round-tripping.
89: Randomness seeded to: 2960119132
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
41: [00:53:08] Finished
41: [00:53:08] testing github #1567: Non-canonical result from MolFragmentToSmiles()
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
41: [00:53:08] Finished
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
80/235 Test #41: hanoiTest .............................. Passed 2.38 sec
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
test 92
Start 92: testGenericGroups
92: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups
92: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups
92: Test timeout computed to be: 1500
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
89: [00:53:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
70: [00:53:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
70: [00:53:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
70: [00:53:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
70: [00:53:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
12: ..................
12: ----------------------------------------------------------------------
12: Ran 18 tests in 2.684s
12:
12: OK
70: [00:53:08] deprecated group abbreviation ignored on line 24
70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
70: [00:53:08]
70:
70: ****
70: Post-condition Violation
70: Element 'Mv' not found
70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
70: Failed Expression: anum > -1
70: ----------
70: Stacktrace:
70: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
70: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
70: 2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 3# 0x0000FFFF9D2F7FE4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 4# 0x0000FFFF9D305BC0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 5# 0x0000FFFF9D306AEC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFileParsers.so.1
70: 9# 0x0000AAAAB9DFF83C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 10# 0x0000AAAAB9E74B44 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 11# 0x0000AAAAB9DE5D2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 12# 0x0000FFFF9C9C229C in /lib/aarch64-linux-gnu/libc.so.6
70: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
70: 14# 0x0000AAAAB9DE5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: ----------
70: ****
70:
81/235 Test #12: pyBV ................................... Passed 2.92 sec
test 93
Start 93: testReaction
93: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReaction
93: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
93: Test timeout computed to be: 1500
91: Randomness seeded to: 3296904717
91: ===============================================================================
91: All tests passed (242 assertions in 12 test cases)
91:
82/235 Test #91: substructTestCatch ..................... Passed 0.34 sec
test 94
Start 94: testReactionFingerprints
94: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints
94: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
94: Test timeout computed to be: 1500
93: smi: O=C1CNC(=O)CN1
93: 1: O=C1CNC(=O)CN1
93: 2: COOC
93: [00:53:08] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
93: [00:53:08] 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]'
93: O=C1CNC(=O)CN1
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
93: unmapped numbers are: 4
93: [00:53:08] atom 0 in product 0 has multiple charge specifications.
93: mass: 15.0001
93: Oc1ccccn1
93: Oc1ccc[nH]1
94: [00:53:08] -------------------------------------
94: [00:53:08] Test Reaction StructuralFingerprint
93: [00:53:08] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2]
93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]'
93: [00:53:08] SMARTS Parse Error: syntax error while parsing: ([C:2]
93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
93: [00:53:08] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2]
93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]'
93: [00:53:08] SMARTS Parse Error: syntax error while parsing: [C:2])
93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])'
93: [00:53:08] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
93: [00:53:08] SMILES Parse Error: check for mistakes around position 2:
93: [00:53:08] [Q:1][C:2][C:3](=[O:4])[O:5]
93: [00:53:08] ~^
93: [00:53:08] 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]'
93: [00:53:08] reactant 2 has no mapped atoms.
70: [00:53:08] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
70: [00:53:08] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
93: [00:53:08] >> Atoms within one molecule have different RXN roles.
93: [00:53:08] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role.
93: [00:53:08] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2]
93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]'
93: [00:53:08] SMARTS Parse Error: syntax error while parsing: ([C:2]
93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
93: [00:53:08] SMARTS Parse Error: syntax error while parsing: [C:1][C:2])
93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])'
93: [00:53:08] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2]
93: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]'
93: [00:53:08] reactant 0 has no mapped atoms.
93: [00:53:08] reactant 1 has no mapped atoms.
93: [00:53:08] reactant 3 has no mapped atoms.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: [00:53:08] product atom-mapping number 5 found multiple times.
93: [00:53:08] product atom-mapping number 6 found multiple times.
93: [00:53:08] product atom-mapping number 7 found multiple times.
93: [00:53:08] product atom-mapping number 8 found multiple times.
93: [00:53:08] product atom-mapping number 12 found multiple times.
93: [00:53:08] product atom-mapping number 9 found multiple times.
93: [00:53:08] product atom-mapping number 10 found multiple times.
93: [00:53:08] product atom-mapping number 11 found multiple times.
93: [00:53:08] reactant 0 has no mapped atoms.
93: [00:53:08] reactant 1 has no mapped atoms.
93: [00:53:08] reactant 3 has no mapped atoms.
93: [00:53:08] reactant atom-mapping number 19 found multiple times.
93: [00:53:08] reactant atom-mapping number 25 found multiple times.
93: [00:53:08] reactant atom-mapping number 20 found multiple times.
93: [00:53:08] reactant atom-mapping number 21 found multiple times.
93: [00:53:08] reactant atom-mapping number 22 found multiple times.
93: [00:53:08] reactant atom-mapping number 23 found multiple times.
93: [00:53:08] reactant atom-mapping number 24 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
93: [00:53:08] product atom-mapping number 5 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: [00:53:08] product atom-mapping number 5 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
93: [00:53:08] product atom-mapping number 5 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: [00:53:08] product atom-mapping number 5 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: F[C@@](Cl)(Br)O[C@](F)(Cl)Br
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: F[C@](Cl)(Br)O[C@](F)(Cl)Br
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 4 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
93: unmapped numbers are: 4
93: [00:53:08] product atom-mapping number 3 found multiple times.
93: [00:53:08] product atom-mapping number 2 found multiple times.
93: [00:53:08] product atom-mapping number 1 found multiple times.
93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
93: unmapped numbers are: 4
93: [00:53:08] product atom-mapping number 6 not found in reactants.
93: [00:53:08] product atom-mapping number 7 not found in reactants.
93: [00:53:08] product atom-mapping number 8 not found in reactants.
93: [00:53:08] product atom-mapping number 7 not found in reactants.
93: [00:53:08] product atom-mapping number 8 not found in reactants.
93: [00:53:08] product atom-mapping number 9 not found in reactants.
93: [00:53:08] product atom-mapping number 10 not found in reactants.
93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
93: unmapped numbers are: 6
93: [00:53:08] product atom-mapping number 7 not found in reactants.
93: [00:53:08] product atom-mapping number 8 not found in reactants.
93: [00:53:08] product atom-mapping number 9 not found in reactants.
93: [00:53:08] product atom-mapping number 10 not found in reactants.
93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
93: unmapped numbers are: 6
93: 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]
93: 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]
94: [00:53:08] -------------------------------------
94: [00:53:08] Test Reaction DifferenceFingerprint
83/235 Test #94: testReactionFingerprints ............... Passed 0.06 sec
test 95
Start 95: testEnumeration
95: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration
95: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
95: Test timeout computed to be: 1500
70: ----------------------------------
70: ----------------------------------
93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
93: unmapped numbers are: 7 8 9 10 11 12 13 14 15 16
70: [00:53:08]
70:
70: ****
70: Pre-condition Violation
70: rlabel out of range for MDL files
70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
70: Failed Expression: rlabel >= 0 && rlabel < 100
70: ----------
70: Stacktrace:
70: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
70: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
70: 2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
70: 3# 0x0000AAAAB9E0F2FC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 4# 0x0000AAAAB9E74BA4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 5# 0x0000AAAAB9DE5D2C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: 6# 0x0000FFFF9C9C229C in /lib/aarch64-linux-gnu/libc.so.6
70: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
70: 8# 0x0000AAAAB9DE5EF0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
70: ----------
70: ****
70:
70: [00:53:08] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
89: [00:53:08] Explicit valence for atom # 9 N, 6, is greater than permitted
92: Randomness seeded to: 43821469
92: ===============================================================================
92: All tests passed (11480 assertions in 38 test cases)
92:
84/235 Test #92: testGenericGroups ...................... Passed 0.24 sec
test 96
Start 96: rxnTestCatch
96: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch
96: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
96: Test timeout computed to be: 1500
85/235 Test #43: resMolSupplierTest ..................... Passed 2.60 sec
test 97
Start 97: pyChemReactions
97: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py"
97: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
97: Test timeout computed to be: 1500
93: [00:53:08] product atom-mapping number 17 not found in reactants.
93: [00:53:08] product atom-mapping number 18 not found in reactants.
93: [00:53:08] mapped atoms in the reactants were not mapped in the products.
93: unmapped numbers are: 12
96: Randomness seeded to: 3448127935
96: [00:53:08] atom 0 in product 0 has multiple charge specifications.
96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 34
96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 36
96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 38
96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 40
96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 42
96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 87
96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 89
96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 91
96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 93
96: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 95
96: [00:53:08] mapped atoms in the reactants were not mapped in the products.
96: unmapped numbers are: 2
96: [00:53:08] mapped atoms in the reactants were not mapped in the products.
96: unmapped numbers are: 2
96: [00:53:08] SMARTS Parse Error: unclosed ring for input: 'CC1'
96: [00:53:08] SMILES Parse Error: unclosed ring for input: 'CC1'
96: [00:53:08] mapped atoms in the reactants were not mapped in the products.
96: unmapped numbers are: 2
96: [00:53:08] product atom-mapping number 2 not found in reactants.
96: [00:53:08] mapped atoms in the reactants were not mapped in the products.
96: unmapped numbers are: 2
96: [00:53:08] product atom-mapping number 2 not found in reactants.
96: [00:53:08] CX Extensions: Substance group hierarchy is not always preserved.
96: [00:53:08] CX Extensions: Substance group hierarchy is not always preserved.
95: 30000000 30000000
96: [00:53:08] reactant 0 has no mapped atoms.
96: [00:53:08] product 0 has no mapped atoms.
96: [00:53:08] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
96: [00:53:08] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
96: [00:53:08] Explicit valence for atom # 1 O, 5, is greater than permitted
29: All 191 tests passed
96: ===============================================================================
96: All tests passed (722 assertions in 30 test cases)
96:
86/235 Test #96: rxnTestCatch ........................... Passed 0.06 sec
test 98
Start 98: pyChemReactionEnumerations
98: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py"
98: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
98: Test timeout computed to be: 1500
93: [00:53:08] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
93: [00:53:08] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
93:
93: [00:53:08] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels
93: -------------
93: CCOc1ccccc1
70: [00:53:08] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
70: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
29:
29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf...
70: [00:53:08] Empty atom list: 'M ALS 1 0 F' on line 8.
87/235 Test #70: fileParsersTest1 ....................... Passed 1.84 sec
test 99
Start 99: pyChemReactionSanitize
99: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testSanitize.py"
99: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
99: Test timeout computed to be: 1500
93: [00:53:08] reactant 0 has no mapped atoms.
93: [00:53:08] product 0 has no mapped atoms.
93: [00:53:08] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product.
88/235 Test #93: testReaction ........................... Passed 0.35 sec
test 100
Start 100: testChemTransforms
100: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms
100: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms
100: Test timeout computed to be: 1500
100: 1 smi: CC
100: 1 smi: CC
100: 2 smi: CCO[C@H](N)P
100: 2 smi: CC
100: replaceSub smi1:CCP(CC)[C@@H](N)O
100: replaceSub smi1:CCNCC
100: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O
100: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O
98: [00:53:08] == testCartesianProduct
100: [00:53:08] SMARTS Parse Error: syntax error while parsing: bar
100: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar'
98: .[00:53:08] == testEnumerateLibrary
89: [00:53:08] Explicit valence for atom # 3 Al, 6, is greater than permitted
98: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/enumeration.pickle'>
98: open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read())
98: ResourceWarning: Enable tracemalloc to get the object allocation traceback
89/235 Test #100: testChemTransforms ..................... Passed 0.07 sec
test 101
Start 101: chemTransformsTestCatch
101: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms
101: Test timeout computed to be: 1500
89: [00:53:08] Explicit valence for atom # 4 Al, 6, is greater than permitted
101: Randomness seeded to: 2904855389
101: [00:53:08] Incomplete atom labelling, cannot make bond
101: [00:53:08]
101:
101: ****
101: Invariant Violation
101: molzip: bond info already exists for end atom with label:1
101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
101: Failed Expression: !bond.b
101: ----------
101: Stacktrace:
101: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 4# 0x0000AAAABB356F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 5# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 6# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 7# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 8# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 9# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 10# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 11# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
101: 13# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: ----------
101: ****
101:
101: [00:53:08] Incomplete atom labelling, cannot make bond
101: [00:53:08]
101:
101: ****
101: Invariant Violation
101: molzip: bond info already exists for end atom with label:1
101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
101: Failed Expression: !bond.b
101: ----------
101: Stacktrace:
101: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 4# 0x0000AAAABB356F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 5# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 6# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 7# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 8# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 9# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 10# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 11# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
101: 13# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: ----------
101: ****
101:
98: ..[00:53:08] == testRGroupState
89: [00:53:08] Explicit valence for atom # 10 Si, 6, is greater than permitted
101: [00:53:08] Incomplete atom labelling, cannot make bond
101: [00:53:08]
101:
101: ****
101: Invariant Violation
101: molzip: bond info already exists for end atom with label:1
101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
101: Failed Expression: !bond.b
101: ----------
101: Stacktrace:
101: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 4# 0x0000AAAABB356F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 5# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 6# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 7# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 8# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 9# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 10# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 11# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
101: 13# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: ----------
101: ****
101:
98: .[00:53:08] == testRandomEnumerateAllBBsLibrary
98: ** [1, 1]
98: ** [0, 2]
98: ** [1, 0]
101: [00:53:08] Incomplete atom labelling, cannot make bond
101: [00:53:08] Incomplete atom labelling, cannot make bond
101: [00:53:08] Incomplete atom labelling, cannot make bond
101: [00:53:08]
101:
101: ****
101: Invariant Violation
101: molzip: bond info already exists for end atom with label:1
101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
101: Failed Expression: !bond.b
101: ----------
101: Stacktrace:
101: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 4# 0x0000AAAABB356F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 5# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 6# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 7# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 8# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 9# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 10# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 11# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
101: 13# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: ----------
101: ****
101:
97: ...[00:53:08]
97:
97: ****
98: .[00:53:08] == testRandomEnumerateLibrary
101: [00:53:08] Incomplete atom labelling, cannot make bond
101: [00:53:08]
101:
101: ****
101: Invariant Violation
101: molzip: bond info already exists for end atom with label:1
101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
101: Failed Expression: !bond.b
101: ----------
101: Stacktrace:
101: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 4# 0x0000AAAABB356F60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 5# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 6# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 7# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 8# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 9# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 10# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 11# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
101: 12# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
101: 13# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: ----------
101: ****
101:
101: [00:53:08]
101:
101: ****
101: Invariant Violation
101: molzip: zipped Bond already exists, perhaps labels are duplicated
101: Violation occurred on line 735 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
101: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx())
101: ----------
101: Stacktrace:
101: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
101: 2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemTransforms.so.1
101: 5# 0x0000AAAABB34D298 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 6# 0x0000AAAABB3A50AC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 7# 0x0000AAAABB3A5A60 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 8# 0x0000AAAABB3A5E94 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 9# 0x0000AAAABB37A418 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 10# 0x0000AAAABB37A964 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 11# 0x0000AAAABB34C4D0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: 12# 0x0000FFFFB906229C in /lib/aarch64-linux-gnu/libc.so.6
101: 13# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
101: 14# 0x0000AAAABB34C5B0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
101: ----------
101: ****
101:
101: ===============================================================================
101: All tests passed (674 assertions in 9 test cases)
101:
90/235 Test #101: chemTransformsTestCatch ................ Passed 0.07 sec
test 102
Start 102: tautomerQueryTestCatch
102: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch
102: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery
102: Test timeout computed to be: 1500
98: .[00:53:08] == testRandomSample
98: .[00:53:08] == testRandomSampleAllBBs
98: .[00:53:08] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
98: [00:53:08] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
98: .[00:53:08] == testRemoveBadMatches
98: .[00:53:08] == testTimings
99: .[00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: .[00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: ()
99: ********************************************
99: $RXN
99:
99: RDKit
99:
99: 2 1
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 1 0 0 0 0 0 0999 V2000
99: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
99: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
99: 1 2 1 0
99: M RGP 1 2 1
99: V 1 halogen.bromine.aromatic
99: V 2 [*:1]
99: M STY 1 1 DAT
99: M SAL 1 1 1
99: M SED 1 [#35&$([Br&$(Br-&!@c)])]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 4 3 0 1 0 0 0 0 0 0999 V2000
99: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0
99: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 2 3 1 0
99: 1 2 1 0
99: 2 4 1 0
99: M RGP 1 1 2
99: V 1 [*:2]
99: V 2 boronicacid
99: M STY 1 1 DAT
99: M SAL 1 1 2
99: M SED 1 [#5&$([$(B-&!@[#6])](O)O)]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 0 0 0 0 0 0 0999 V2000
99: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
99: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0
99: 1 2 1 0
99: M RGP 2 1 1 2 2
99: V 1 [*:1]
99: V 2 [*:2]
99: M END
99:
99: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
99: $RXN
99:
99: RDKit
99:
99: 2 1
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 1 0 0 0 0 0 0999 V2000
99: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
99: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
99: 1 2 1 0
99: M RGP 1 2 1
99: V 1 halogen.bromine.aromatic
99: V 2 [*:1]
99: M STY 1 1 DAT
99: M SAL 1 1 1
99: M SED 1 [#35&$([Br&$(Br-&!@c)])]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 4 3 0 1 0 0 0 0 0 0999 V2000
99: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0
99: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 2 3 1 0
99: 1 2 1 0
99: 2 4 1 0
99: M RGP 1 1 2
99: V 1 [*:2]
99: V 2 boronicacid
99: M STY 1 1 DAT
99: M SAL 1 1 2
99: M SED 1 [#5&$([$(B-&!@[#6])](O)O)]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 0 0 0 0 0 0 0999 V2000
99: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
99: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0
99: 1 2 1 0
99: M RGP 2 1 1 2 2
99: V 1 [*:1]
99: V 2 [*:2]
99: M END
99:
99: ********************************************
99: $RXN
99:
99: RDKit
99:
99: 2 1
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 1 0 0 0 0 0 0999 V2000
99: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
99: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0
99: 1 2 1 0
99: M RGP 1 2 1
99: V 1 halogen.bromine.aromatic
99: V 2 *
99: M STY 1 1 DAT
99: M SAL 1 1 1
99: M SED 1 [#35&$([Br&$(Br-&!@c)])]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 4 3 0 1 0 0 0 0 0 0999 V2000
99: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 2 3 1 0
99: 1 2 1 0
99: 2 4 1 0
99: M RGP 1 1 2
99: V 1 *
99: V 2 boronicacid
99: M STY 1 1 DAT
99: M SAL 1 1 2
99: M SED 1 [#5&$([$(B-&!@[#6])](O)O)]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 0 0 0 0 0 0 0999 V2000
99: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0
99: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0
99: 1 2 1 0
99: M RGP 2 1 1 2 2
99: V 1 *
99: V 2 *
99: M END
99:
99: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
99: $RXN
99:
99: RDKit
99:
99: 2 1
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 1 0 0 0 0 0 0999 V2000
99: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
99: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
99: 1 2 1 0
99: M RGP 1 2 1
99: V 1 halogen.bromine.aromatic
99: V 2 [*:1]
99: M STY 1 1 DAT
99: M SAL 1 1 1
99: M SED 1 [#35&$([Br&$(Br-&!@c)])]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 4 3 0 1 0 0 0 0 0 0999 V2000
99: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0
99: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 2 3 1 0
99: 1 2 1 0
99: 2 4 1 0
99: M RGP 1 1 2
99: V 1 [*:2]
99: V 2 boronicacid
99: M STY 1 1 DAT
99: M SAL 1 1 2
99: M SED 1 [#5&$([$(B-&!@[#6])](O)O)]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 0 0 0 0 0 0 0999 V2000
99: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
99: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0
99: 1 2 1 0
99: M RGP 2 1 1 2 2
99: V 1 [*:1]
99: V 2 [*:2]
99: M END
99:
99: ********************************************
99: $RXN
99:
99: RDKit
99:
99: 2 1
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 1 0 0 0 0 0 0999 V2000
99: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
99: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0
99: 1 2 1 0
99: M ISO 1 2 1
99: V 1 halogen.bromine.aromatic
99: M STY 1 1 DAT
99: M SAL 1 1 1
99: M SED 1 [#35&$([Br&$(Br-&!@c)])]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 4 3 0 1 0 0 0 0 0 0999 V2000
99: 3.4375 -7.7917 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 2 3 1 0
99: 1 2 1 0
99: 2 4 1 0
99: M ISO 1 1 2
99: V 2 boronicacid
99: M STY 1 1 DAT
99: M SAL 1 1 2
99: M SED 1 [#5&$([$(B-&!@[#6])](O)O)]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 0 0 0 0 0 0 0999 V2000
99: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0
99: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0
99: 1 2 1 0
99: M ISO 2 1 1 2 2
99: M END
99:
99: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
99: $RXN
99:
99: RDKit
99:
99: 2 1
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 1 0 0 0 0 0 0999 V2000
99: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
99: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
99: 1 2 1 0
99: M RGP 1 2 1
99: V 1 halogen.bromine.aromatic
99: V 2 [*:1]
99: M STY 1 1 DAT
99: M SAL 1 1 1
99: M SED 1 [#35&$([Br&$(Br-&!@c)])]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 4 3 0 1 0 0 0 0 0 0999 V2000
99: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0
99: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 2 3 1 0
99: 1 2 1 0
99: 2 4 1 0
99: M RGP 1 1 2
99: V 1 [*:2]
99: V 2 boronicacid
99: M STY 1 1 DAT
99: M SAL 1 1 2
99: M SED 1 [#5&$([$(B-&!@[#6])](O)O)]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 0 0 0 0 0 0 0999 V2000
99: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
99: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0
99: 1 2 1 0
99: M RGP 2 1 1 2 2
99: V 1 [*:1]
99: V 2 [*:2]
99: M END
99:
99: ********************************************
99: $RXN
99:
99: RDKit
99:
99: 2 1
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 1 0 0 0 0 0 0999 V2000
99: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
99: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0
99: 1 2 1 0
99: M ISO 1 2 1
99: V 1 halogen.bromine.aromatic
99: M STY 1 1 DAT
99: M SAL 1 1 1
99: M SED 1 [#35&$([Br&$(Br-&!@c)])]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 4 3 0 1 0 0 0 0 0 0999 V2000
99: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 2 3 1 0
99: 1 2 1 0
99: 2 4 1 0
99: M ISO 1 1 3
99: V 2 boronicacid
99: M STY 1 1 DAT
99: M SAL 1 1 2
99: M SED 1 [#5&$([$(B-&!@[#6])](O)O)]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 0 0 0 0 0 0 0999 V2000
99: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0
99: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0
99: 1 2 1 0
99: M ISO 2 1 1 2 2
99: M END
99: [00:53:08] reactant 0 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] product 0 has no mapped atoms.
99: [00:53:08] Could not find RLabel mapping for atom: 0 in template: 1
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: [00:53:08] reactant 1 has no mapped atoms.
99: ..
99: ----------------------------------------------------------------------
99: Ran 4 tests in 0.025s
99:
99: OK
99:
99: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
99: $RXN
99:
99: RDKit
99:
99: 2 1
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 1 0 0 0 0 0 0999 V2000
99: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
99: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
99: 1 2 1 0
99: M RGP 1 2 1
99: V 1 halogen.bromine.aromatic
99: V 2 [*:1]
99: M STY 1 1 DAT
99: M SAL 1 1 1
99: M SED 1 [#35&$([Br&$(Br-&!@c)])]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 4 3 0 1 0 0 0 0 0 0999 V2000
99: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
99: 2 3 1 0
99: 1 2 1 0
99: 2 4 1 0
99: M ISO 1 1 3
99: V 2 boronicacid
99: M STY 1 1 DAT
99: M SAL 1 1 2
99: M SED 1 [#5&$([$(B-&!@[#6])](O)O)]
99: M END
99: $MOL
99:
99: RDKit 2D
99:
99: 2 1 0 0 0 0 0 0 0 0999 V2000
99: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0
99: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0
99: 1 2 1 0
99: M ISO 1 2 2
99: M RGP 1 1 1
99: V 1 [*:1]
99: M END
99:
99: $RXN Failed
97: Pre-condition Violation
97: getNumImplicitHs() called without preceding call to calcImplicitValence()
97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
97: Failed Expression: d_implicitValence > -1
97: ----------
97: Stacktrace:
97: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
97: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
97: 2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
97: 3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
97: 4# Queries::EqualityQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
97: 5# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
97: 6# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
97: 7# Queries::OrQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
97: 8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 9# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 10# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 11# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 12# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<int, std::allocator<int> >&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, RDKit::SubstructMatchParameters const&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
97: 19# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, RDKit::ChemicalReaction const&, std::vector<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > >, std::allocator<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
97: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
97: 21# RDKit::ChemicalReaction::runReactants(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > >, unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
97: 25# 0x0000FFFFAD592680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
97: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
97: 30# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
97: 31# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
97: 32# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 36# 0x0000FFFFABB9B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 37# 0x0000FFFFABB9B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 38# 0x0000FFFFABB9B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 39# 0x0000FFFFABB9B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 40# 0x0000FFFFABB9B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
97: 46# 0x0000FFFFAD58F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
97: 47# _PyObject_MakeTpCall in /usr/bin/python3
97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 49# 0x0000000000531670 in /usr/bin/python3
97: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 51# 0x00000000004AB0F4 in /usr/bin/python3
97: 52# 0x0000000000662B58 in /usr/bin/python3
97: 53# _PyObject_MakeTpCall in /usr/bin/python3
97: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 55# 0x0000000000531670 in /usr/bin/python3
97: 56# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 57# 0x00000000004AB0F4 in /usr/bin/python3
97: 58# 0x0000000000662B58 in /usr/bin/python3
97: 59# _PyObject_MakeTpCall in /usr/bin/python3
97: 60# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 61# 0x0000000000531670 in /usr/bin/python3
97: 62# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 63# 0x00000000004AB0F4 in /usr/bin/python3
97: 64# 0x0000000000662B58 in /usr/bin/python3
97: 65# _PyObject_MakeTpCall in /usr/bin/python3
97: 66# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 67# 0x0000000000503550 in /usr/bin/python3
97: 68# _PyObject_MakeTpCall in /usr/bin/python3
97: 69# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 70# PyEval_EvalCode in /usr/bin/python3
97: 71# 0x00000000005FD91C in /usr/bin/python3
97: 72# 0x00000000005F7E70 in /usr/bin/python3
97: 73# 0x00000000006258F0 in /usr/bin/python3
97: 74# 0x0000000000625034 in /usr/bin/python3
97: 75# 0x0000000000624DCC in /usr/bin/python3
97: 76# Py_RunMain in /usr/bin/python3
97: 77# Py_BytesMain in /usr/bin/python3
97: 78# 0x0000FFFFAE0C229C in /lib/aarch64-linux-gnu/libc.so.6
97: 79# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
97: 80# _start in /usr/bin/python3
97: ----------
97: ****
97:
97: [00:53:08]
97:
97: ****
97: Pre-condition Violation
97: getNumImplicitHs() called without preceding call to calcImplicitValence()
97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
97: Failed Expression: d_implicitValence > -1
97: ----------
97: Stacktrace:
97: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
97: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
97: 2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
97: 3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
97: 4# Queries::EqualityQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
97: 5# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
97: 6# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
97: 7# Queries::OrQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
97: 8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 9# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 10# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 11# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 12# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<int, std::allocator<int> >&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, RDKit::SubstructMatchParameters const&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
97: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
97: 19# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, RDKit::ChemicalReaction const&, std::vector<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > >, std::allocator<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
97: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
97: 21# RDKit::ChemicalReaction::runReactants(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > >, unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitChemReactions.so.1
97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
97: 25# 0x0000FFFFAD592680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
97: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
97: 30# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
97: 31# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
97: 32# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 36# 0x0000FFFFABB9B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 37# 0x0000FFFFABB9B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 38# 0x0000FFFFABB9B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 39# 0x0000FFFFABB9B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 40# 0x0000FFFFABB9B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
97: 46# 0x0000FFFFAD58F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
97: 47# _PyObject_MakeTpCall in /usr/bin/python3
97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 49# 0x0000000000531670 in /usr/bin/python3
97: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 51# 0x00000000004AB0F4 in /usr/bin/python3
97: 52# 0x0000000000662B58 in /usr/bin/python3
97: 53# _PyObject_MakeTpCall in /usr/bin/python3
97: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 55# 0x0000000000531670 in /usr/bin/python3
97: 56# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 57# 0x00000000004AB0F4 in /usr/bin/python3
97: 58# 0x0000000000662B58 in /usr/bin/python3
97: 59# _PyObject_MakeTpCall in /usr/bin/python3
97: 60# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 61# 0x0000000000531670 in /usr/bin/python3
97: 62# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 63# 0x00000000004AB0F4 in /usr/bin/python3
97: 64# 0x0000000000662B58 in /usr/bin/python3
97: 65# _PyObject_MakeTpCall in /usr/bin/python3
97: 66# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 67# 0x0000000000503550 in /usr/bin/python3
97: 68# _PyObject_MakeTpCall in /usr/bin/python3
97: 69# _PyEval_EvalFrameDefault in /usr/bin/python3
97: 70# PyEval_EvalCode in /usr/bin/python3
97: 71# 0x00000000005FD91C in /usr/bin/python3
97: 72# 0x00000000005F7E70 in /usr/bin/python3
97: 73# 0x00000000006258F0 in /usr/bin/python3
97: 74# 0x0000000000625034 in /usr/bin/python3
97: 75# 0x0000000000624DCC in /usr/bin/python3
97: 76# Py_RunMain in /usr/bin/python3
97: 77# Py_BytesMain in /usr/bin/python3
97: 78# 0x0000FFFFAE0C229C in /lib/aarch64-linux-gnu/libc.so.6
97: 79# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
97: 80# _start in /usr/bin/python3
97: ----------
97: ****
97:
89: [00:53:08] Explicit valence for atom # 2 O, 4, is greater than permitted
97: .........[00:53:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
97: [00:53:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
97: [00:53:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
97: [00:53:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
97: .[00:53:08] product atom-mapping number 1 found multiple times.
97: [00:53:08] product atom-mapping number 1 found multiple times.
89: [00:53:08] Explicit valence for atom # 3 Al, 6, is greater than permitted
89: [00:53:08] Explicit valence for atom # 3 Be, 4, is greater than permitted
97: ................[00:53:08] mapped atoms in the reactants were not mapped in the products.
97: unmapped numbers are: 3
97: [00:53:08] mapped atoms in the reactants were not mapped in the products.
97: unmapped numbers are: 3
89: [00:53:08] Explicit valence for atom # 27 P, 6, is greater than permitted
97: .<frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
97: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
97: [00:53:08] mapped atoms in the reactants were not mapped in the products.
97: unmapped numbers are: 3
97: ..[00:53:08] reactant 2 has no mapped atoms.
97: [00:53:08] reactant 2 has no mapped atoms.
97: [00:53:08] product 1 has no mapped atoms.
97: ........[00:53:08] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q
97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q'
97: [00:53:08] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q
97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q'
97: .[00:53:08] reactant atom-mapping number 1 found multiple times.
97: [00:53:08] product atom-mapping number 2 not found in reactants.
97: [00:53:08] mapped atoms in the reactants were not mapped in the products.
97: unmapped numbers are: 4
97: [00:53:08] product atom-mapping number 5 not found in reactants.
91/235 Test #99: pyChemReactionSanitize ................. Passed 0.32 sec
test 103
Start 103: pyTautomerQuery
103: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap/rough_test.py"
103: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap
103: Test timeout computed to be: 1500
102: Randomness seeded to: 3211062070
102: ===============================================================================
102: All tests passed (93 assertions in 13 test cases)
102:
92/235 Test #102: tautomerQueryTestCatch ................. Passed 0.15 sec
test 104
Start 104: testSubgraphs1
104: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1
104: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs
104: Test timeout computed to be: 1500
97: ........./build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'>
97: png = open(fname, 'rb').read()
97: ResourceWarning: Enable tracemalloc to get the object allocation traceback
97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 34
97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 36
97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 38
97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 40
97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 42
104: -----------------------
104: Subgraph retrieval
104: Finished
104: -----------------------
104: testSubgraphs2a
97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 87
97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 89
97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 91
97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 93
97: [00:53:08] Found a SCD/SED line with missing/empty SDT specification at line 95
104: Finished
104: -----------------------
104: testSubgraphs2
97: ..[00:53:08] SMARTS Parse Error: syntax error while parsing: boromicacid
97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
97: [00:53:08] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
97: [00:53:08] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
97: [00:53:08] reaction has no reactants
97: [00:53:08] reaction has no products
97: [00:53:08] initialization failed
97: [00:53:08] reaction has no reactants
97: [00:53:08] reaction has no products
97: .[00:53:08] SMARTS Parse Error: syntax error while parsing: boromicacid
97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
97: [00:53:08] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
97: [00:53:08] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
97: [00:53:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
97: [00:53:08] reaction has no reactants
97: [00:53:08] reaction has no products
97: [00:53:08] initialization failed
97: [00:53:08] reaction has no reactants
97: [00:53:08] reaction has no products
97: .
97: ----------------------------------------------------------------------
97: Ran 54 tests in 0.219s
97:
97: OK
97: ********************************************
97: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/AmideBond.rxn
97: <rdkit.Chem.rdChemReactions.ChemicalReaction object at 0xffffa92f3450>
104: Finished
104: -----------------------
104: Path retrieval
104: Finished
104: -----------------------
104: Path retrieval2
104: Finished
104: -----------------------
104: Unique Subgraph retrieval
104: Finished
104: -----------------------
104: testUniqueSubgraphs2
93/235 Test #97: pyChemReactions ........................ Passed 0.59 sec
test 105
Start 105: testSubgraphs2
105: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs2
105: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs
105: Test timeout computed to be: 1500
105: -----------------------
105: Test1: pathToSubmol
105: Finished
105: -----------------------
105: Test2: Atom Environments
105: Finished
105: -----------------------
105: Test 3: Atom Environments (Extension)
105: Finished
105: -----------------------
105: Testing github Issue103: stereochemistry and pathToSubmol
105: Finished
105: -----------------------
105: Testing github Issue103: more stereochemistry and pathToSubmol (path needs to be in sorted order)
105: Finished
94/235 Test #105: testSubgraphs2 ......................... Passed 0.03 sec
test 106
Start 106: subgraphsCatch
106: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch
106: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs
106: Test timeout computed to be: 1500
106: Randomness seeded to: 42486228
106: ---------
106: ===============================================================================
106: All tests passed (11 assertions in 1 test case)
106:
103: .....
103: ----------------------------------------------------------------------
103: Ran 5 tests in 0.024s
103:
103: OK
95/235 Test #106: subgraphsCatch ......................... Passed 0.04 sec
test 107
Start 107: filterCatalogTest
107: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest
107: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog
107: Test timeout computed to be: 1500
89: [00:53:09] Explicit valence for atom # 9 N, 6, is greater than permitted
104: Finished
104: -----------------------
104: testRootedSubgraphs
104: Finished
104: -----------------------
104: testRootedPaths
104: Finished
96/235 Test #104: testSubgraphs1 ......................... Passed 0.20 sec
test 108
Start 108: pyFilterCatalog
108: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rough_test.py"
108: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap
108: Test timeout computed to be: 1500
97/235 Test #103: pyTautomerQuery ........................ Passed 0.24 sec
test 109
Start 109: testFragCatalog
109: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
109: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog
109: Test timeout computed to be: 1500
109: 21
107: Warning: molecule failed filter
107: Warning: molecule failed filter: reason hzone_phenol_A(479)
107: v = {
107: 0,23},
107: 1,22},
107: 2,20},
107: 3,19},
107: 4,25},
107: 5,24},
107: 6,18},
107: 7,17},
107: 8,16},
107: 9,21},
107: }
107: match = {
107: 0,23},
107: 1,22},
107: 2,20},
107: 3,19},
107: 4,25},
107: 5,24},
107: 6,18},
107: 7,17},
107: 8,16},
107: 9,21},
107: }
107: Warning: molecule failed filter
107: Warning: molecule failed filter: reason cyano_imine_B(17)
107: v = {
107: 0,11},
107: 1,12},
107: 2,13},
107: 3,14},
107: 4,15},
107: 5,10},
107: 6,9},
107: 7,8},
107: 8,7},
107: 9,6},
107: 10,5},
107: 11,17},
107: 12,16},
107: }
107: match = {
107: 0,11},
107: 1,12},
107: 2,13},
107: 3,14},
107: 4,15},
107: 5,10},
107: 6,9},
107: 7,8},
107: 8,7},
107: 9,6},
107: 10,5},
107: 11,17},
107: 12,16},
107: }
107: Warning: molecule failed filter
107: Warning: molecule failed filter: reason keto_keto_gamma(5)
107: v = {
107: 0,0},
107: 1,1},
107: 2,2},
107: 3,4},
107: 4,5},
107: 5,6},
107: 6,7},
107: 7,8},
107: 8,9},
107: 9,14},
107: 10,15},
107: 11,16},
107: }
107: match = {
107: 0,0},
107: 1,1},
107: 2,2},
107: 3,4},
107: 4,5},
107: 5,6},
107: 6,7},
107: 7,8},
107: 8,9},
107: 9,14},
107: 10,15},
107: 11,16},
107: }
89: [00:53:09] Explicit valence for atom # 3 Al, 6, is greater than permitted
89: [00:53:09] Explicit valence for atom # 4 Al, 6, is greater than permitted
89: [00:53:09] Explicit valence for atom # 10 Si, 6, is greater than permitted
98/235 Test #107: filterCatalogTest ...................... Passed 0.20 sec
test 110
Start 110: pyFragCatalog
110: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/rough_test.py"
110: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap
110: Test timeout computed to be: 1500
98: .
98: ----------------------------------------------------------------------
98: Ran 11 tests in 0.661s
98:
98: OK
98: True
98: == CartesianProductStrategy CartesianProductStrategy
98: 197 out of 300
98: 0 6 out of 10
98: 1 3 out of 5
98: 2 4 out of 6
98: 198 out of 300
98: 0 10 out of 10
98: 1 5 out of 5
98: 2 6 out of 6
98: <rdkit.Chem.rdChemReactions.CartesianProductStrategy object at 0xffff92475d50> Skipped 10000000 in 0.05721092224121094 seconds
98: <rdkit.Chem.rdChemReactions.RandomSampleStrategy object at 0xffff92475cb0> Skipped 10000000 in 0.32026052474975586 seconds
98: <rdkit.Chem.rdChemReactions.RandomSampleAllBBsStrategy object at 0xffff92475bc0> Skipped 10000000 in 0.07423186302185059 seconds
89: [00:53:09] Explicit valence for atom # 2 O, 4, is greater than permitted
99/235 Test #98: pyChemReactionEnumerations ............. Passed 0.90 sec
test 111
Start 111: testDescriptors
111: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testDescriptors
111: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
111: Test timeout computed to be: 1500
89: [00:53:09] Explicit valence for atom # 3 Al, 6, is greater than permitted
89: [00:53:09] Explicit valence for atom # 3 Be, 4, is greater than permitted
111: [00:53:09] -------------------------------------
111: [00:53:09] Test Crippen parameter acquisition.
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test Crippen calculation.
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test Issue262: problems with Crippen calculation from pickles.
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test AMW calculation.
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test Exact MW calculation.
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test Labute ASA descriptors.
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test TPSA descriptors.
89: [00:53:09] Explicit valence for atom # 27 P, 6, is greater than permitted
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test Lipinski parameters.
89: ===============================================================================
89: All tests passed (21562 assertions in 3 test cases)
89:
100/235 Test #89: multithreadedSupplierCatchTest ......... Passed 1.73 sec
test 112
Start 112: testAUTOCORR2D
112: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D
112: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
112: Test timeout computed to be: 1500
112: [00:53:09] ----------------------------
112: start test autocorr2D
108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
110: .........
110: ----------------------------------------------------------------------
110: Ran 9 tests in 0.030s
110:
110: OK
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test VSA descriptors.
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test molecular formula calculation.
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test Issue 3415534.
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test Issue3433771: Bad definition for Crippen atom type O11.
111: [00:53:09] done
111: [00:53:09] -------------------------------------
111: [00:53:09] Test multithreading
111: reading molecules
111: processing
111: launch :0
111: launch :1
111: launch :2
111: launch :3
101/235 Test #110: pyFragCatalog .......................... Passed 0.23 sec
test 113
Start 113: testATF
113: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testATF
113: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
113: Test timeout computed to be: 1500
102/235 Test #113: testATF ................................ Passed 0.05 sec
test 114
Start 114: testBCUT
114: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testBCUT
114: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
114: Test timeout computed to be: 1500
109: [00:53:09]
109:
109: ****
109: Invariant Violation
109: nonsense
109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
109: Failed Expression: token != tokens.end()
109: ----------
109: Stacktrace:
109: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
109: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
109: 2# 0x0000FFFF82701948 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
109: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
109: 4# 0x0000AAAAAF907ADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
109: 5# 0x0000AAAAAF9049E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
109: 6# 0x0000FFFF81CD229C in /lib/aarch64-linux-gnu/libc.so.6
109: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
109: 8# 0x0000AAAAAF904BB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
109: ----------
109: ****
109:
109: [00:53:09]
109:
109: ****
109: Invariant Violation
109: nonsense no new line
109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
109: Failed Expression: token != tokens.end()
109: ----------
109: Stacktrace:
109: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
109: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
109: 2# 0x0000FFFF82701948 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
109: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
109: 4# 0x0000AAAAAF907ADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
109: 5# 0x0000AAAAAF9049E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
109: 6# 0x0000FFFF81CD229C in /lib/aarch64-linux-gnu/libc.so.6
109: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
109: 8# 0x0000AAAAAF904BB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
109: ----------
109: ****
109:
109: [00:53:09]
109:
109: ****
109: Invariant Violation
109: nonsense with tab
109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
109: Failed Expression: token != tokens.end()
109: ----------
109: Stacktrace:
109: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
109: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
109: 2# 0x0000FFFF82701948 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
109: 3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitFragCatalog.so.1
109: 4# 0x0000AAAAAF907ADC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
109: 5# 0x0000AAAAAF9049E0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
109: 6# 0x0000FFFF81CD229C in /lib/aarch64-linux-gnu/libc.so.6
109: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
109: 8# 0x0000AAAAAF904BB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
109: ----------
109: ****
109:
103/235 Test #109: testFragCatalog ........................ Passed 0.45 sec
test 115
Start 115: testEEM
115: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testEEM
115: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
115: Test timeout computed to be: 1500
114: [00:53:09] -------------------------------------
114: [00:53:09] Basic BCUT tests.
114: [00:53:09] done
114: [00:53:09] -------------------------------------
114: [00:53:09] Larger BCUT tests.
115: =>start test EEM
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: 0
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
112: [00:53:09] done
112: [00:53:09] -------------------------------------
112: [00:53:09] Test Github #3806: NaNs from AUTOCORR2D descriptor
112: [00:53:09] done
104/235 Test #112: testAUTOCORR2D ......................... Passed 0.24 sec
test 116
Start 116: testPBF
116: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testPBF
116: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
116: Test timeout computed to be: 1500
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
116: [00:53:09] -------------------------------------
116: [00:53:09] Basic PBF tests.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: 100
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
116: [00:53:09] done
116: [00:53:09] -------------------------------------
116: [00:53:09] PBF edge cases.
116: [00:53:09] done
105/235 Test #116: testPBF ................................ Passed 0.11 sec
test 117
Start 117: testRDFcustom
117: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testRDFcustom
117: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
117: Test timeout computed to be: 1500
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: 200
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
29: All 191 tests passed
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: 300
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
29:
29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.smi...
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: 400
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
114: [00:53:10] -------------------------------------
114: [00:53:10] Test empty molecule BCUT.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
106/235 Test #114: testBCUT ............................... Passed 0.58 sec
test 118
Start 118: testRDF
118: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testRDF
118: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
118: Test timeout computed to be: 1500
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: [00:53:10] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
115: Elapsed time: 0.575081 s
115: Errors:0
115: [00:53:10] test on : 500 molecules done
107/235 Test #115: testEEM ................................ Passed 0.61 sec
test 119
Start 119: testMORSE
119: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testMORSE
119: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
119: Test timeout computed to be: 1500
117: =>start test rdf custom
117: [00:53:10] test on : 365 molecules done
108: .............[00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: [00:53:10] SMILES Parse Error: syntax error while parsing: ---
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] ---
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
108: [00:53:10] dasfsadf
108: .[00:53:10] SMILES Parse Error: syntax error while parsing: mydoghasfleas
108: [00:53:10] SMILES Parse Error: check for mistakes around position 1:
108: [00:53:10] mydoghasfleas
108: [00:53:10] ^
108: [00:53:10] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas'
108: .......
108: ----------------------------------------------------------------------
108: Ran 21 tests in 1.006s
108:
108: OK
108: (Five aromatic carbons And (Not any of Five aromatic carbons))
108: (Five aromatic carbons Or (Not any of Five aromatic carbons))
108: (Not (Five aromatic carbons And (Not any of Five aromatic carbons)))
108: ********************************************
108: Testing: PAINS_A 2
108: ********************************************
108: Testing: PAINS_B 4
108: ********************************************
108: Testing: PAINS_C 8
108: ********************************************
108: Testing: PAINS 14
108: (Not FilterMatcher)
108: Bar
108: Count 1
108: ********************************************
108: {'Cl,Br,I'}
108: 1
108: 2
108: running
108/235 Test #108: pyFilterCatalog ........................ Passed 1.46 sec
test 120
Start 120: test3D
120: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/test3D
120: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
120: Test timeout computed to be: 1500
120: [00:53:10] -------------------------------------
120: [00:53:10] Basic PMI tests.
118: =>start test rdf
118: [00:53:10] test on : 365 molecules done
109/235 Test #118: testRDF ................................ Passed 0.58 sec
test 121
Start 121: testWHIM
121: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testWHIM
121: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
121: Test timeout computed to be: 1500
117: =>start test morse custom
117: [00:53:10] test on : 365 molecules done
120: [00:53:10] done
120: [00:53:10] -------------------------------------
120: [00:53:10] More PMI/NPR tests.
120: [00:53:10] done
120: [00:53:10] -------------------------------------
120: [00:53:10] Basic NPR tests.
119: =>start test MORSE
119: =>read file
119: [00:53:10] test on : 365 molecules done
110/235 Test #119: testMORSE .............................. Passed 0.65 sec
test 122
Start 122: testGETAWAY
122: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY
122: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
122: Test timeout computed to be: 1500
117: =>start test AUTOCORR3D custom
117: [00:53:10] test on : 365 molecules done
121: =>start test WHIM
121: [00:53:10] test on : 365 molecules done
111/235 Test #121: testWHIM ............................... Passed 0.27 sec
test 123
Start 123: testAUTOCORR3D
123: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR3D
123: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
123: Test timeout computed to be: 1500
120: [00:53:10] done
120: [00:53:10] -------------------------------------
120: [00:53:10] PMI edge cases.
120: [00:53:10] done
120: [00:53:10] -------------------------------------
120: [00:53:10] NPR edge cases.
120: [00:53:10] done
120: [00:53:10] -------------------------------------
120: [00:53:10] 3D descriptors.
120: [00:53:10] done
120: [00:53:10] -------------------------------------
120: [00:53:10] 3D descriptor edge cases.
120: [00:53:10] done
120: [00:53:10] -------------------------------------
120: [00:53:10] Inertial shape factor.
120: [00:53:10] done
112/235 Test #120: test3D ................................. Passed 0.43 sec
test 124
Start 124: testCoulombMat
124: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testCoulombMat
124: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
124: Test timeout computed to be: 1500
124: ===================== Testing CoulombMat =======================
124: CM test 1 mat Done
113/235 Test #124: testCoulombMat ......................... Passed 0.03 sec
test 125
Start 125: descriptorsTestCatch
125: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/descriptorsTestCatch
125: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
125: Test timeout computed to be: 1500
117: =>start test 2 WHIM custom
117: [00:53:11] test on : 365 molecules done
125: Randomness seeded to: 1126867231
125: Warning: Atom Count for residue GLU5A does not match expected count
125: Warning: Atom Count for residue ASN39A does not match expected count
125: Warning: Atom Count for residue GLU53A does not match expected count
125: Warning: Atom Count for residue ARG64A does not match expected count
125: Warning: Atom Count for residue LYS80A does not match expected count
125: Warning: Atom Count for residue GLU150A does not match expected count
125: Warning: Atom Count for residue ASN157A does not match expected count
125: Warning: Atom Count for residue GLU5A does not match expected count
123: =>start test autocorr3D
123: [00:53:11] test on : 365 molecules done
114/235 Test #123: testAUTOCORR3D ......................... Passed 0.22 sec
test 126
Start 126: pyMolDescriptors
126: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py"
126: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap
126: Test timeout computed to be: 1500
117: =>start test 1 WHIM custom
117: [00:53:11] test on : 365 molecules done
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test Issue252: Bad definitions for Crippen atom types.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test calculation of ChiVs.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test calculation of ChiNs.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test calculation of HallKierAlpha.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test calculation of Kappa1.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test calculation of Kappa2.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test calculation of Kappa3.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test Crippen atom type calculations.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test ring descriptors
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test other count descriptors.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test MQN
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test GitHub Issue 56.
111: [00:53:11] WARNING: not removing hydrogen atom without neighbors
111: [00:53:11] WARNING: not removing hydrogen atom without neighbors
111: [00:53:11] WARNING: not removing hydrogen atom without neighbors
111: [00:53:11] WARNING: not removing hydrogen atom without neighbors
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test Github92: Bad Crippen atom type for pyrrole H.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test Github362: order dependence in Kier-Hall descriptors.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test calculation of spiro and bridgehead counts.
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test Github694: ExactMolWt ignoring the mass of the electron
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Testing Properties and KitchenSink
111: [00:53:11] ---Caught keyerror (bad property name)---
111: [00:53:11] -------------------------------------
111: [00:53:11] Test USR Descriptor
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test Github #1973: support P and S terms for TPSA calculation
111: [00:53:11] done
111: [00:53:11] -------------------------------------
111: [00:53:11] Test Github #2948: Empty molecule has non-zero LabuteASA
111: [00:53:11] done
115/235 Test #111: testDescriptors ........................ Passed 1.91 sec
test 127
Start 127: pyMolDescriptors3D
127: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/test3D.py"
127: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap
127: Test timeout computed to be: 1500
125: Warning: Atom Count for residue ASN39A does not match expected count
125: Warning: Atom Count for residue GLU53A does not match expected count
75: [00:53:11] Finished: testSmiCorrectness()
75: [00:53:11] -----------------------------------------
75:
75: [00:53:11]
75: -----------------------------------------
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: ..[00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: .[00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
126: ..[00:53:11]
126:
126: ****
126: Pre-condition Violation
126: Number of atom props not equal to number of atoms
126: Violation occurred on line 89 in file ./Code/GraphMol/Descriptors/BCUT.cpp
126: Failed Expression: atom_props.size() == num_atoms
126: ----------
126: Stacktrace:
126: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
126: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
126: 2# RDKit::Descriptors::BCUT2D(RDKit::ROMol const&, std::vector<double, std::allocator<double> > const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitDescriptors.so.1
126: 3# 0x0000FFFF8DDFD098 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
126: 4# 0x0000FFFF8DE11350 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
126: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
126: 6# 0x0000FFFF91C72680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
126: 7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
126: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
126: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
126: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
126: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
126: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
126: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
126: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
126: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
126: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
126: 17# 0x0000FFFF9024B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
126: 18# 0x0000FFFF9024B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
126: 19# 0x0000FFFF9024B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
126: 20# 0x0000FFFF9024B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
126: 21# 0x0000FFFF9024B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
126: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
126: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
126: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
126: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
126: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
126: 27# 0x0000FFFF91C6F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
126: 28# _PyObject_MakeTpCall in /usr/bin/python3
126: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
126: 30# 0x0000000000531670 in /usr/bin/python3
126: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
126: 32# 0x00000000004AB0F4 in /usr/bin/python3
126: 33# 0x0000000000662B58 in /usr/bin/python3
126: 34# _PyObject_MakeTpCall in /usr/bin/python3
126: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
126: 36# 0x0000000000531670 in /usr/bin/python3
126: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
126: 38# 0x00000000004AB0F4 in /usr/bin/python3
126: 39# 0x0000000000662B58 in /usr/bin/python3
126: 40# _PyObject_MakeTpCall in /usr/bin/python3
126: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
126: 42# 0x0000000000531670 in /usr/bin/python3
126: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
126: 44# 0x00000000004AB0F4 in /usr/bin/python3
126: 45# 0x0000000000662B58 in /usr/bin/python3
126: 46# _PyObject_MakeTpCall in /usr/bin/python3
126: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
126: 48# 0x0000000000503430 in /usr/bin/python3
126: 49# _PyObject_MakeTpCall in /usr/bin/python3
126: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
126: 51# PyEval_EvalCode in /usr/bin/python3
126: 52# 0x00000000005FD91C in /usr/bin/python3
126: 53# 0x00000000005F7E70 in /usr/bin/python3
126: 54# 0x00000000006258F0 in /usr/bin/python3
126: 55# 0x0000000000625034 in /usr/bin/python3
126: 56# 0x0000000000624DCC in /usr/bin/python3
126: 57# Py_RunMain in /usr/bin/python3
126: 58# Py_BytesMain in /usr/bin/python3
126: 59# 0x0000FFFF9257229C in /lib/aarch64-linux-gnu/libc.so.6
126: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
126: 61# _start in /usr/bin/python3
126: ----------
126: ****
126:
126: ...Warning: Atom Count for residue GLU5A does not match expected count
126: Warning: Atom Count for residue ASN39A does not match expected count
126: Warning: Atom Count for residue GLU53A does not match expected count
126: Warning: Atom Count for residue ARG64A does not match expected count
126: Warning: Atom Count for residue LYS80A does not match expected count
126: Warning: Atom Count for residue GLU150A does not match expected count
126: Warning: Atom Count for residue ASN157A does not match expected count
125: Warning: Atom Count for residue ARG64A does not match expected count
75: [00:53:11] Spurious data before the first property will be ignored
75: [00:53:11] Property <ID> will be truncated after the first blank line
75: [00:53:11] Property <ID> will be truncated after the first blank line
75: [00:53:11] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
126: Warning: Atom Count for residue GLU5A does not match expected count
125: Warning: Atom Count for residue LYS80A does not match expected count
127: ........
127: ----------------------------------------------------------------------
127: Ran 8 tests in 0.109s
127:
127: OK
116/235 Test #127: pyMolDescriptors3D ..................... Passed 0.41 sec
test 128
Start 128: testFingerprints
128: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprints
128: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
128: Test timeout computed to be: 1500
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128: Atoms:
128: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: Bonds:
128: 0 0->1 order: 1 conj?: 1
128: 1 1->2 order: a conj?: 1 aromatic?: 1
128: 2 2->3 order: a conj?: 1 aromatic?: 1
128: 3 3->4 order: a conj?: 1 aromatic?: 1
128: 4 4->5 order: a conj?: 1 aromatic?: 1
128: 5 5->6 order: a conj?: 1 aromatic?: 1
128: 6 6->7 order: a conj?: 1 aromatic?: 1
128: 7 7->8 order: a conj?: 1 aromatic?: 1
128: 8 8->9 order: 1 conj?: 1
128: 9 8->10 order: a conj?: 1 aromatic?: 1
128: 10 10->1 order: a conj?: 1 aromatic?: 1
128: 11 7->3 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128: SMI: Oc1cc2[nH]cnc2c(O)n1
128: Atoms:
128: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: Bonds:
128: 0 0->1 order: 1 conj?: 1
128: 1 1->2 order: a conj?: 1 aromatic?: 1
128: 2 2->3 order: a conj?: 1 aromatic?: 1
128: 3 3->4 order: a conj?: 1 aromatic?: 1
128: 4 4->5 order: a conj?: 1 aromatic?: 1
128: 5 5->6 order: a conj?: 1 aromatic?: 1
128: 6 6->7 order: a conj?: 1 aromatic?: 1
128: 7 7->8 order: a conj?: 1 aromatic?: 1
128: 8 8->9 order: 1 conj?: 1
128: 9 8->10 order: a conj?: 1 aromatic?: 1
128: 10 10->1 order: a conj?: 1 aromatic?: 1
128: 11 7->3 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128: SMI: c1(O)cc2[nH]cnc2c(O)n1
128: Atoms:
128: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: Bonds:
128: 0 0->1 order: 1 conj?: 1
128: 1 0->2 order: a conj?: 1 aromatic?: 1
128: 2 2->3 order: a conj?: 1 aromatic?: 1
128: 3 3->4 order: a conj?: 1 aromatic?: 1
128: 4 4->5 order: a conj?: 1 aromatic?: 1
128: 5 5->6 order: a conj?: 1 aromatic?: 1
128: 6 6->7 order: a conj?: 1 aromatic?: 1
128: 7 7->8 order: a conj?: 1 aromatic?: 1
128: 8 8->9 order: 1 conj?: 1
128: 9 8->10 order: a conj?: 1 aromatic?: 1
128: 10 10->0 order: a conj?: 1 aromatic?: 1
128: 11 7->3 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128: SMI: c1c(O)nc(O)c2c1[nH]cn2
128: Atoms:
128: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 3 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: Bonds:
128: 0 0->1 order: a conj?: 1 aromatic?: 1
128: 1 1->2 order: 1 conj?: 1
128: 2 1->3 order: a conj?: 1 aromatic?: 1
128: 3 3->4 order: a conj?: 1 aromatic?: 1
128: 4 4->5 order: 1 conj?: 1
128: 5 4->6 order: a conj?: 1 aromatic?: 1
128: 6 6->7 order: a conj?: 1 aromatic?: 1
128: 7 7->8 order: a conj?: 1 aromatic?: 1
128: 8 8->9 order: a conj?: 1 aromatic?: 1
128: 9 9->10 order: a conj?: 1 aromatic?: 1
128: 10 7->0 order: a conj?: 1 aromatic?: 1
128: 11 10->6 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128: SMI: c12cc(O)nc(O)c1nc[nH]2
128: Atoms:
128: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 3 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: Bonds:
128: 0 0->1 order: a conj?: 1 aromatic?: 1
128: 1 1->2 order: a conj?: 1 aromatic?: 1
128: 2 2->3 order: 1 conj?: 1
128: 3 2->4 order: a conj?: 1 aromatic?: 1
128: 4 4->5 order: a conj?: 1 aromatic?: 1
128: 5 5->6 order: 1 conj?: 1
128: 6 5->7 order: a conj?: 1 aromatic?: 1
128: 7 7->8 order: a conj?: 1 aromatic?: 1
128: 8 8->9 order: a conj?: 1 aromatic?: 1
128: 9 9->10 order: a conj?: 1 aromatic?: 1
128: 10 7->0 order: a conj?: 1 aromatic?: 1
128: 11 10->0 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128: SMI: [nH]1c2cc(O)nc(O)c2nc1
128: Atoms:
128: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 9 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 10 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: Bonds:
128: 0 0->1 order: a conj?: 1 aromatic?: 1
128: 1 1->2 order: a conj?: 1 aromatic?: 1
128: 2 2->3 order: a conj?: 1 aromatic?: 1
128: 3 3->4 order: 1 conj?: 1
128: 4 3->5 order: a conj?: 1 aromatic?: 1
128: 5 5->6 order: a conj?: 1 aromatic?: 1
128: 6 6->7 order: 1 conj?: 1
128: 7 6->8 order: a conj?: 1 aromatic?: 1
128: 8 8->9 order: a conj?: 1 aromatic?: 1
128: 9 9->10 order: a conj?: 1 aromatic?: 1
128: 10 10->0 order: a conj?: 1 aromatic?: 1
128: 11 8->1 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128: SMI: c1[nH]c2cc(O)nc(O)c2n1
128: Atoms:
128: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 1 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 8 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: Bonds:
128: 0 0->1 order: a conj?: 1 aromatic?: 1
128: 1 1->2 order: a conj?: 1 aromatic?: 1
128: 2 2->3 order: a conj?: 1 aromatic?: 1
128: 3 3->4 order: a conj?: 1 aromatic?: 1
128: 4 4->5 order: 1 conj?: 1
128: 5 4->6 order: a conj?: 1 aromatic?: 1
128: 6 6->7 order: a conj?: 1 aromatic?: 1
128: 7 7->8 order: 1 conj?: 1
128: 8 7->9 order: a conj?: 1 aromatic?: 1
128: 9 9->10 order: a conj?: 1 aromatic?: 1
128: 10 10->0 order: a conj?: 1 aromatic?: 1
128: 11 9->2 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128: SMI: n1c[nH]c2cc(O)nc(O)c21
128: Atoms:
128: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 10 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: Bonds:
128: 0 0->1 order: a conj?: 1 aromatic?: 1
128: 1 1->2 order: a conj?: 1 aromatic?: 1
128: 2 2->3 order: a conj?: 1 aromatic?: 1
128: 3 3->4 order: a conj?: 1 aromatic?: 1
128: 4 4->5 order: a conj?: 1 aromatic?: 1
128: 5 5->6 order: 1 conj?: 1
128: 6 5->7 order: a conj?: 1 aromatic?: 1
128: 7 7->8 order: a conj?: 1 aromatic?: 1
128: 8 8->9 order: 1 conj?: 1
128: 9 8->10 order: a conj?: 1 aromatic?: 1
128: 10 10->0 order: a conj?: 1 aromatic?: 1
128: 11 10->3 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128: SMI: c12c(cc(O)nc1O)[nH]cn2
128: Atoms:
128: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: Bonds:
128: 0 0->1 order: a conj?: 1 aromatic?: 1
128: 1 1->2 order: a conj?: 1 aromatic?: 1
128: 2 2->3 order: a conj?: 1 aromatic?: 1
128: 3 3->4 order: 1 conj?: 1
128: 4 3->5 order: a conj?: 1 aromatic?: 1
128: 5 5->6 order: a conj?: 1 aromatic?: 1
128: 6 6->7 order: 1 conj?: 1
128: 7 1->8 order: a conj?: 1 aromatic?: 1
128: 8 8->9 order: a conj?: 1 aromatic?: 1
128: 9 9->10 order: a conj?: 1 aromatic?: 1
128: 10 6->0 order: a conj?: 1 aromatic?: 1
128: 11 10->0 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128: SMI: c1(O)c2c(cc(O)n1)[nH]cn2
128: Atoms:
128: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: Bonds:
128: 0 0->1 order: 1 conj?: 1
128: 1 0->2 order: a conj?: 1 aromatic?: 1
128: 2 2->3 order: a conj?: 1 aromatic?: 1
128: 3 3->4 order: a conj?: 1 aromatic?: 1
128: 4 4->5 order: a conj?: 1 aromatic?: 1
128: 5 5->6 order: 1 conj?: 1
128: 6 5->7 order: a conj?: 1 aromatic?: 1
128: 7 3->8 order: a conj?: 1 aromatic?: 1
128: 8 8->9 order: a conj?: 1 aromatic?: 1
128: 9 9->10 order: a conj?: 1 aromatic?: 1
128: 10 7->0 order: a conj?: 1 aromatic?: 1
128: 11 10->2 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128: SMI: Oc1c2c(cc(O)n1)[nH]cn2
128: Atoms:
128: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: Bonds:
128: 0 0->1 order: 1 conj?: 1
128: 1 1->2 order: a conj?: 1 aromatic?: 1
128: 2 2->3 order: a conj?: 1 aromatic?: 1
128: 3 3->4 order: a conj?: 1 aromatic?: 1
128: 4 4->5 order: a conj?: 1 aromatic?: 1
128: 5 5->6 order: 1 conj?: 1
128: 6 5->7 order: a conj?: 1 aromatic?: 1
128: 7 3->8 order: a conj?: 1 aromatic?: 1
128: 8 8->9 order: a conj?: 1 aromatic?: 1
128: 9 9->10 order: a conj?: 1 aromatic?: 1
128: 10 7->1 order: a conj?: 1 aromatic?: 1
128: 11 10->2 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128: SMI: n1c(O)cc2[nH]cnc2c1O
128: Atoms:
128: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 6 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
128: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
128: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
128: 10 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP2
128: Bonds:
128: 0 0->1 order: a conj?: 1 aromatic?: 1
128: 1 1->2 order: 1 conj?: 1
128: 2 1->3 order: a conj?: 1 aromatic?: 1
128: 3 3->4 order: a conj?: 1 aromatic?: 1
128: 4 4->5 order: a conj?: 1 aromatic?: 1
128: 5 5->6 order: a conj?: 1 aromatic?: 1
128: 6 6->7 order: a conj?: 1 aromatic?: 1
128: 7 7->8 order: a conj?: 1 aromatic?: 1
128: 8 8->9 order: a conj?: 1 aromatic?: 1
128: 9 9->10 order: 1 conj?: 1
128: 10 9->0 order: a conj?: 1 aromatic?: 1
128: 11 8->4 order: a conj?: 1 aromatic?: 1
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128:
128:
128:
128:
128:
128:
128:
128:
128: -------------------
128:
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Morgan Fingerprints.
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Morgan Fingerprints using fromAtoms argument.
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Morgan Fingerprints as bit vects.
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Morgan Fingerprints with feature invariants.
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test additional Morgan fingerprints options.
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Atom Codes.
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Atom Pairs.
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Atom Pairs part 2.
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Topological Torsions.
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Bulk Topological Torsions.
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: Warning: Atom Count for residue ASN39A does not match expected count
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Hashed Atom Pairs.
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Hashed torsions.
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Rooted Atom Pairs.
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test ignoring atoms in Atom Pairs.
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Rooted Topological Torsions.
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test ignoring atoms in Topological Torsions.
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test atom info from morgan fingerprints.
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test atom info from morgan fingerprints including Info Redundant Environments.
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] -------------------------------------
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] -------------------------------------
128: [00:53:11] -------------------------------------
128: [00:53:11] -------------------------------------
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Atom Pairs including info about chirality.
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test Topological Torsions including info about chirality.
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test GitHub Issue 25: fingerprint backwards compatibility.
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test GitHub Issue 151: PatternFingerprint problems
126: Warning: Atom Count for residue GLU53A does not match expected count
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test 3D atom pairs.
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule
128: [00:53:11] done
128: [00:53:11] -------------------------------------
128: [00:53:11] Test multithreading with the pattern FP
128: reading molecules
128: pass 1
128: launch :0
128: launch :1
128: launch :2
128: launch :3
126: Warning: Atom Count for residue ARG64A does not match expected count
126: Warning: Atom Count for residue LYS80A does not match expected count
128: pass 2
128: launch :0
128: launch :1
128: launch :2
128: launch :3
125: Warning: Atom Count for residue GLU150A does not match expected count
117: =>start test GETAWAY custom
117: [00:53:12] test on : 365 molecules done
117/235 Test #117: testRDFcustom .......................... Passed 2.42 sec
test 129
Start 129: testMHFPFingerprint
129: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testMHFPFingerprint
129: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
129: Test timeout computed to be: 1500
125: Warning: Atom Count for residue ASN157A does not match expected count
129: [00:53:12] -------------------------------------
129: [00:53:12] Test MHFP fingerprint encoder initialization
122: =>start test GETAWAY
122: [00:53:12] test on : 365 molecules done
118/235 Test #122: testGETAWAY ............................ Passed 1.37 sec
test 130
Start 130: testFingerprintGenerators
130: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprintGenerators
130: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
130: Test timeout computed to be: 1500
129: [00:53:12] done
129: [00:53:12] -------------------------------------
129: [00:53:12] Test MHFP shingling creation
129: [00:53:12] done
129: [00:53:12] -------------------------------------
129: [00:53:12] Test MHFP hashing of string and uint arrays
129: [00:53:12] done
129: [00:53:12] -------------------------------------
129: [00:53:12] Test SECFP fingerprint functionality
130: [00:53:12] -------------------------------------
130: [00:53:12] Test atom-pair fp generator
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test atom-pair fp generator with different arguments
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation
130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
129: [00:53:12] done
119/235 Test #129: testMHFPFingerprint .................... Passed 0.05 sec
test 131
Start 131: fpTestCatch
131: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/fpTestCatch
131: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
131: Test timeout computed to be: 1500
130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test atom-pair additional output
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Folded Atom Pairs.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Rooted Atom Pairs.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test ignoring atoms in Atom Pairs.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Atom Pairs including info about chirality.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Morgan Fingerprints.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test morgan fp generator
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Morgan Fingerprints using fromAtoms argument.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Morgan Fingerprints as bit vects.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Morgan Fingerprints with feature invariants.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test additional Morgan fingerprints options.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Single atoms setting radius 1 bits in Morgan fingerprints
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test different invariant generator combinations
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test invariant overriding
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test RDKit fp generator
131: Randomness seeded to: 3608859418
131: ===============================================================================
131: All tests passed (188 assertions in 16 test cases)
131:
120/235 Test #131: fpTestCatch ............................ Passed 0.03 sec
test 132
Start 132: fpGenTestCatch
132: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/fpGenTestCatch
132: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
132: Test timeout computed to be: 1500
132: Randomness seeded to: 1115994835
132: ===============================================================================
132: All tests passed (2737 assertions in 7 test cases)
132:
121/235 Test #132: fpGenTestCatch ......................... Passed 0.12 sec
test 133
Start 133: pyTestGenerator
133: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/testGenerators.py"
133: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
133: Test timeout computed to be: 1500
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test unfolded version of RDKFP
130: [00:53:12] -------------------------------------
130: [00:53:12] Test topological torsion fp generator
130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
130: [00:53:12] DEPRECATION WARNING: please use TopologicalTorsionGenerator
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Topological Torsions.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Folded torsions.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Bulk Topological Torsions.
75: [00:53:12] Finished: testSDCorrectness()
75: [00:53:12] -----------------------------------------
75:
122/235 Test #75: testMultithreadedMolSupplier ........... Passed 5.32 sec
test 134
Start 134: pyTestMHFP
134: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/testMHFP.py"
134: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
134: Test timeout computed to be: 1500
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Rooted Topological Torsions.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test ignoring atoms in Topological Torsions.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] -------------------------------------
130: [00:53:12] Test Topological Torsions including info about chirality.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test GitHub Issue 25: fingerprint backwards compatibility.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test convenience and bulk fp calculation functions
126: Warning: Atom Count for residue GLU150A does not match expected count
134: ..
134: ----------------------------------------------------------------------
134: Ran 2 tests in 0.018s
134:
134: OK
126: Warning: Atom Count for residue ASN157A does not match expected count
123/235 Test #134: pyTestMHFP ............................. Passed 0.22 sec
test 135
Start 135: testPartialCharges
135: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/testPartialCharges
135: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges
135: Test timeout computed to be: 1500
124/235 Test #135: testPartialCharges ..................... Passed 0.02 sec
test 136
Start 136: pyPartialCharges
136: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py"
136: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap
136: Test timeout computed to be: 1500
130: [00:53:12] done
130: [00:53:12] -------------------------------------
130: [00:53:12] Test GitHub Issue #6958
130: [00:53:12] DEPRECATION WARNING: please use AtomPairGenerator
125/235 Test #130: testFingerprintGenerators .............. Passed 0.69 sec
test 137
Start 137: testMolTransforms
137: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/testMolTransforms
137: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms
137: Test timeout computed to be: 1500
133: ..............
133: ----------------------------------------------------------------------
133: Ran 14 tests in 0.204s
133:
133: OK
137: ***********************************************************
137: Testing MolTransforms
137: ---------------------------------
137: test1Canonicalization
137:
137: ---------------------------------
137: testGetSetBondLength
137:
137: ---------------------------------
137: testGetSetAngle
137:
137: ---------------------------------
137: testGetSetDihedral
137:
137: ---------------------------------
137: testGetSetDihedralThroughTripleBond
137:
137: ---------------------------------
137: testGithub1262: PMI descriptors incorrect
137:
137: ---------------------------------
137: testGithub1908: CanonicalizeMol() distorting bond lengths
137:
137: ---------------------------------
137: testGithub4302: native computeCanonicalTransform() generates non-canonical coords
137:
137: ---------------------------------
137: testWeightedCentroid
137:
137: ***********************************************************
126/235 Test #137: testMolTransforms ...................... Passed 0.06 sec
test 138
Start 138: molTransformsTestCatch
138: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/molTransformsTestCatch
138: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms
138: Test timeout computed to be: 1500
138: Randomness seeded to: 1450000069
138: ===============================================================================
138: All tests passed (4 assertions in 1 test case)
138:
127/235 Test #138: molTransformsTestCatch ................. Passed 0.04 sec
test 139
Start 139: pyMolTransforms
139: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py"
139: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap
139: Test timeout computed to be: 1500
128/235 Test #133: pyTestGenerator ........................ Passed 0.65 sec
test 140
Start 140: forceFieldHelpersCatch
140: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/forceFieldHelpersCatch
140: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers
140: Test timeout computed to be: 1500
136: .......
136: ----------------------------------------------------------------------
136: Ran 7 tests in 0.054s
136:
136: OK
140: Randomness seeded to: 223217602
140: ===============================================================================
140: All tests passed (17 assertions in 2 test cases)
140:
129/235 Test #136: pyPartialCharges ....................... Passed 0.37 sec
test 141
Start 141: testMMFFForceFieldHelpers
141: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers
141: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
141: Test timeout computed to be: 1500
130/235 Test #140: forceFieldHelpersCatch ................. Passed 0.07 sec
test 142
Start 142: testMMFFForceFieldHelpersMultiThread
142: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpersMultiThread
142: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
142: Test timeout computed to be: 1500
141: [00:53:13] -------------------------------------
141: [00:53:13] Test MMFF atom types.
141: [00:53:13] done
141: [00:53:13] -------------------------------------
141: [00:53:13] Testing MMFF builder tools.
141: [00:53:13] done
141: [00:53:13] -------------------------------------
141: [00:53:13] Testing MMFF builder+minimization.
142: [00:53:13] -------------------------------------
142: [00:53:13] Test MMFF multithreading
141: [00:53:13] done
141: [00:53:13] -------------------------------------
141: [00:53:13] Testing Issue239.
141: [00:53:13] done
141: [00:53:13] -------------------------------------
141: [00:53:13] Testing calcEnergy with passed coords.
142: processing
142: launch :0
142: launch :1
142: launch :2
142: launch :3
142: launch :4
142: launch :5
142: launch :6
142: launch :7
142: launch :8
142: launch :9
142: launch :10
142: launch :11
142: launch :12
142: launch :13
142: launch :14
142: launch :15
142: launch :16
142: launch :17
142: launch :18
142: launch :19
142: launch :20
142: launch :21
142: launch :22
142: launch :23
81: ===============================================================================
81: All tests passed (1601 assertions in 100 test cases)
81:
131/235 Test #81: fileParsersCatchTest ................... Passed 5.77 sec
test 143
Start 143: testUFFForceFieldHelpers
143: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers
143: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF
143: Test timeout computed to be: 1500
141: [00:53:13] done
141: [00:53:13] -------------------------------------
141: [00:53:13] Testing calcGrad.
141: [00:53:13] done
141: [00:53:13] -------------------------------------
141: [00:53:13] Testing Issue242.
143: [00:53:13] -------------------------------------
143: [00:53:13] Test UFF atom labels.
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Test UFF atom typer.
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Testing UFF builder tools.
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Testing UFF builder+minimization.
141: [00:53:13] done
141: [00:53:13] -------------------------------------
141: [00:53:13] Testing github 308: crash during MMFF parameterization .
141: [00:53:13] -------------------------------------
141: [00:53:13] Testing SFIssue1653802.
141: [00:53:13] done
141: [00:53:13] -------------------------------------
141: [00:53:13] Testing SFIssue2378119.
141: [00:53:13] done
141: [00:53:13] -------------------------------------
141: [00:53:13] Test MMFF force-field parameter getters.
141: [00:53:13] -------------------------------------
141: [00:53:13] Test MMFF multithreading
141: generating reference data
29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Testing UFF special cases.
143: [00:53:13] UFFTYPER: Unrecognized charge state for atom: 0
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Testing Issue239.
29: All 191 tests passed
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Testing calcEnergy with passed coords.
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Testing calcGrad.
139: ........
139: ----------------------------------------------------------------------
139: Ran 8 tests in 0.196s
139:
139: OK
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Testing SFIssue1653802.
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Testing SFIssue2378119.
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Test UFF force-field parameter getters.
143: [00:53:13] -------------------------------------
143: [00:53:13] Testing handling missing parameters.
143: [00:53:13] UFFTYPER: Unrecognized hybridization for atom: 0
143: [00:53:13] UFFTYPER: Unrecognized atom type: Cu+1 (0)
143: [00:53:13] UFFTYPER: Unrecognized hybridization for atom: 0
143: [00:53:13] UFFTYPER: Unrecognized atom type: Cu+1 (0)
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Testing SFIssue3009337.
143: [00:53:13] done
143: [00:53:13] -------------------------------------
143: [00:53:13] Test UFF multithreading
143: generating reference data
132/235 Test #139: pyMolTransforms ........................ Passed 0.47 sec
test 144
Start 144: testCrystalForceField
144: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField
144: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF
144: Test timeout computed to be: 1500
29:
29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi...
144: -------------------------------------
144: Test CrystalFF torsional term.
141: processing
141: launch :0
141: launch :1
141: launch :2
141: launch :3
142: done
141: [00:53:13] Rep: 0 Mol:0
141: [00:53:13] Rep: 0 Mol:2
141: [00:53:13] Rep: 0 Mol:3
141: [00:53:13] Rep: 0 Mol:1
142: [00:53:13] done
141: [00:53:13] Rep: 0 Mol:4
141: [00:53:13] Rep: 0 Mol:5
141: [00:53:13] Rep: 0 Mol:9
141: [00:53:13] Rep: 0 Mol:6
141: [00:53:13] Rep: 0 Mol:10
141: [00:53:13] Rep: 0 Mol:13
133/235 Test #144: testCrystalForceField .................. Passed 0.08 sec
test 145
Start 145: pyForceFieldHelpers
145: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py"
145: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap
145: Test timeout computed to be: 1500
141: [00:53:13] Rep: 0 Mol:17
143: processing
143: launch :0
143: launch :1
143: launch :2
143: launch :3
143: [00:53:13] Rep: 0 Mol:3
143: [00:53:13] Rep: 0 Mol:1
143: [00:53:13] Rep: 0 Mol:5
143: [00:53:13] Rep: 0 Mol:9
141: [00:53:13] Rep: 0 Mol:8
143: [00:53:13] Rep: 0 Mol:2
134/235 Test #142: testMMFFForceFieldHelpersMultiThread ... Passed 0.44 sec
test 146
Start 146: testDistGeomHelpers
146: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers
146: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers
146: Test timeout computed to be: 1500
143: [00:53:13] Rep: 0 Mol:13
143: [00:53:13] Rep: 0 Mol:0
143: [00:53:13] Rep: 0 Mol:7
143: [00:53:13] Rep: 0 Mol:17
143: [00:53:13] Rep: 0 Mol:11
143: [00:53:13] Rep: 0 Mol:4
143: [00:53:13] Rep: 0 Mol:15
141: [00:53:13] Rep: 0 Mol:21
141: [00:53:13] Rep: 0 Mol:25
141: [00:53:13] Rep: 0 Mol:12
141: [00:53:13] Rep: 0 Mol:16
143: [00:53:13] Rep: 0 Mol:19
143: [00:53:13] Rep: 0 Mol:23
143: [00:53:13] Rep: 0 Mol:27
141: [00:53:13] Rep: 0 Mol:29
143: [00:53:13] Rep: 0 Mol:6
143: [00:53:13] Rep: 0 Mol:10
141: [00:53:13] Rep: 0 Mol:7
141: [00:53:13] Rep: 0 Mol:11
143: [00:53:13] Rep: 0 Mol:31
143: [00:53:13] Rep: 0 Mol:21
143: [00:53:13] Rep: 0 Mol:8
143: [00:53:13] Rep: 0 Mol:12
146: [00:53:13] ********************************************************
146: [00:53:13] Testing DistGeomHelpers
146: [00:53:13] ---------------------------------
146: [00:53:13] test2
146:
146: go
146: -------------------------------------
146:
143: [00:53:13] Rep: 0 Mol:25
141: [00:53:13] Rep: 0 Mol:15
141: [00:53:13] Rep: 0 Mol:14
141: [00:53:13] Rep: 0 Mol:19
143: [00:53:13] Rep: 0 Mol:29
141: [00:53:13] Rep: 0 Mol:20
143: [00:53:13] Rep: 0 Mol:16
143: [00:53:13] Rep: 0 Mol:20
143: [00:53:13] Rep: 0 Mol:14
141: [00:53:13] Rep: 0 Mol:23
141: [00:53:13] Rep: 0 Mol:27
141: [00:53:13] Rep: 0 Mol:18
141: [00:53:13] Rep: 0 Mol:31
141: [00:53:13] Rep: 0 Mol:24
143: [00:53:13] Rep: 0 Mol:24
143: [00:53:13] Rep: 0 Mol:18
143: [00:53:13] Rep: 0 Mol:28
141: [00:53:13] Rep: 0 Mol:22
143: [00:53:13] Rep: 0 Mol:22
143: [00:53:13] Rep: 0 Mol:26
141: [00:53:13] Rep: 0 Mol:28
141: [00:53:13] Rep: 0 Mol:26
143: [00:53:13] Rep: 0 Mol:30
141: [00:53:13] Rep: 0 Mol:30
141: [00:53:13] Rep: 20 Mol:1
141: [00:53:13] Rep: 20 Mol:5
141: [00:53:13] Rep: 20 Mol:9
141: [00:53:13] Rep: 20 Mol:13
141: [00:53:13] Rep: 20 Mol:17
141: [00:53:13] Rep: 20 Mol:21
141: [00:53:13] Rep: 20 Mol:25
141: [00:53:13] Rep: 20 Mol:29
141: [00:53:13] Rep: 20 Mol:3
141: [00:53:13] Rep: 20 Mol:7
141: [00:53:13] Rep: 20 Mol:11
141: [00:53:13] Rep: 20 Mol:15
141: [00:53:13] Rep: 20 Mol:19
141: [00:53:13] Rep: 20 Mol:23
141: [00:53:13] Rep: 20 Mol:27
141: [00:53:13] Rep: 20 Mol:31
145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: ..[00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
141: [00:53:13] Rep: 40 Mol:1
141: [00:53:13] Rep: 40 Mol:5
141: [00:53:13] Rep: 40 Mol:9
141: [00:53:13] Rep: 40 Mol:13
141: [00:53:13] Rep: 40 Mol:17
141: [00:53:13] Rep: 40 Mol:21
141: [00:53:13] Rep: 40 Mol:25
141: [00:53:13] Rep: 40 Mol:29
145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
141: [00:53:13] Rep: 20 Mol:0
141: [00:53:13] Rep: 20 Mol:4
141: [00:53:13] Rep: 20 Mol:8
141: [00:53:13] Rep: 20 Mol:12
141: [00:53:13] Rep: 20 Mol:16
141: [00:53:13] Rep: 20 Mol:20
141: [00:53:13] Rep: 20 Mol:24
141: [00:53:13] Rep: 20 Mol:28
145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: .[00:53:13] UFFTYPER: Unrecognized hybridization for atom: 0
145: [00:53:13] UFFTYPER: Unrecognized atom type: Cu+1 (0)
145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: .[00:53:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: .[00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: ...[00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: [00:53:13] Molecule does not have explicit Hs. Consider calling AddHs()
145: ...
145: ----------------------------------------------------------------------
145: Ran 19 tests in 0.097s
145:
145: OK
141: [00:53:13] Rep: 20 Mol:2
141: [00:53:13] Rep: 20 Mol:6
141: [00:53:13] Rep: 20 Mol:10
141: [00:53:13] Rep: 20 Mol:14
141: [00:53:13] Rep: 20 Mol:18
141: [00:53:13] Rep: 20 Mol:22
141: [00:53:13] Rep: 20 Mol:26
141: [00:53:13] Rep: 20 Mol:30
141: [00:53:13] Rep: 60 Mol:1
141: [00:53:13] Rep: 60 Mol:5
141: [00:53:13] Rep: 60 Mol:9
141: [00:53:13] Rep: 60 Mol:13
141: [00:53:13] Rep: 60 Mol:17
141: [00:53:13] Rep: 60 Mol:21
141: [00:53:13] Rep: 40 Mol:3
141: [00:53:13] Rep: 60 Mol:25
141: [00:53:13] [00:53:13] Rep: 60 Mol:29
141: Rep: 40 Mol:7
141: [00:53:13] Rep: 40 Mol:11
141: [00:53:13] Rep: 40 Mol:15
141: [00:53:13] Rep: 40 Mol:19
141: [00:53:13] Rep: 40 Mol:23
141: [00:53:13] Rep: 40 Mol:27
141: [00:53:13] Rep: 40 Mol:31
135/235 Test #145: pyForceFieldHelpers .................... Passed 0.37 sec
test 147
Start 147: distGeomHelpersCatch
147: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch
147: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers
147: Test timeout computed to be: 1500
147: Randomness seeded to: 4064361589
141: [00:53:13] Rep: 40 Mol:0
141: [00:53:13] Rep: 40 Mol:4
141: [00:53:13] Rep: 40 Mol:8
141: [00:53:13] Rep: 40 Mol:12
141: [00:53:13] Rep: 40 Mol:16
141: [00:53:13] Rep: 40 Mol:20
141: [00:53:13] Rep: 40 Mol:24
141: [00:53:13] Rep: 40 Mol:28
147: [00:53:13] [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)]
147: [00:53:13] [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)]
143: [00:53:13] Rep: 100 Mol:3
143: [00:53:13] Rep: 100 Mol:7
143: [00:53:13] Rep: 100 Mol:11
143: [00:53:13] Rep: 100 Mol:15
147: [00:53:13] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)]
147: [00:53:13] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)]
147: [00:53:13] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [$([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)]
143: [00:53:13] Rep: 100 Mol:19
143: [00:53:13] Rep: 100 Mol:23
143: [00:53:13] Rep: 100 Mol:27
143: [00:53:13] Rep: 100 Mol:31
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] 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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [!#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)]
147: [00:53:13] [!#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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: -----------
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [$([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)]
147: [00:53:13] [$([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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] 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)]
147: [00:53:13] 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)]
147: [00:53:13] [!#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)]
147: [00:53:13] [!#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)]
147: [00:53:13] [!#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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: -----------
147: [00:53:13] [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)]
147: [00:53:13] [$([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)]
147: [00:53:13] [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)]
147: [00:53:13] 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)]
147: -----------
147: -----------
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [$(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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
147: [00:53:13] [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)]
141: [00:53:14] Rep: 60 Mol:3
141: [00:53:14] Rep: 60 Mol:7
141: [00:53:14] Rep: 60 Mol:11
141: [00:53:14] Rep: 80 Mol:1
141: [00:53:14] Rep: 80 Mol:5
141: [00:53:14] Rep: 80 Mol:9
141: [00:53:14] Rep: 80 Mol:13
141: [00:53:14] Rep: 80 Mol:17
141: [00:53:14] Rep: 80 Mol:21
141: [00:53:14] Rep: 80 Mol:25
141: [00:53:14] Rep: 80 Mol:29
141: [00:53:14] Rep: 60 Mol:15
141: [00:53:14] Rep: 60 Mol:19
141: [00:53:14] Rep: 60 Mol:23
141: [00:53:14] Rep: 60 Mol:27
141: [00:53:14] Rep: 60 Mol:31
147: [00:53:14] UFFTYPER: Unrecognized atom type: Pt5+2 (1)
147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 1
147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 1
143: [00:53:14] Rep: 100 Mol:1
143: [00:53:14] Rep: 100 Mol:0
143: [00:53:14] Rep: 100 Mol:4
143: [00:53:14] Rep: 100 Mol:8
143: [00:53:14] Rep: 100 Mol:12
143: [00:53:14] Rep: 100 Mol:16
143: [00:53:14] Rep: 100 Mol:20
143: [00:53:14] Rep: 100 Mol:24
143: [00:53:14] Rep: 100 Mol:28
147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 1
143: [00:53:14] Rep: 100 Mol:5
143: [00:53:14] Rep: 100 Mol:9
143: [00:53:14] Rep: 100 Mol:13
143: [00:53:14] Rep: 100 Mol:17
143: [00:53:14] Rep: 100 Mol:21
143: [00:53:14] Rep: 100 Mol:25
143: [00:53:14] Rep: 100 Mol:29
141: [00:53:14] Rep: 40 Mol:2
141: [00:53:14] Rep: 40 Mol:6
141: [00:53:14] Rep: 40 Mol:10
141: [00:53:14] Rep: 40 Mol:14
141: [00:53:14] Rep: 40 Mol:18
141: [00:53:14] Rep: 40 Mol:22
141: [00:53:14] Rep: 40 Mol:26
141: [00:53:14] Rep: 40 Mol:30
147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 5
147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 5
147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 5
141: [00:53:14] Rep: 60 Mol:0
141: [00:53:14] Rep: 60 Mol:4
141: [00:53:14] Rep: 60 Mol:8
141: [00:53:14] Rep: 60 Mol:12
141: [00:53:14] Rep: 60 Mol:16
141: [00:53:14] Rep: 60 Mol:20
141: [00:53:14] Rep: 60 Mol:24
141: [00:53:14] Rep: 60 Mol:28
147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 6
147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 6
141: [00:53:14] Rep: 80 Mol:3
141: [00:53:14] Rep: 80 Mol:7
141: [00:53:14] Rep: 80 Mol:11
141: [00:53:14] Rep: 80 Mol:15
141: [00:53:14] Rep: 80 Mol:19
141: [00:53:14] Rep: 80 Mol:23
141: [00:53:14] Rep: 80 Mol:27
141: [00:53:14] Rep: 80 Mol:31
95: 0,0 0
95: 0,1 0
95: 1,0 0
95: 1,1 0
95: 2,0 0
95: 2,1 0
147: [00:53:14] UFFTYPER: Unrecognized charge state for atom: 6
136/235 Test #95: testEnumeration ........................ Passed 5.86 sec
test 148
Start 148: pyDistGeomHelpers
148: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py"
148: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap
148: Test timeout computed to be: 1500
143: [00:53:14] Rep: 100 Mol:2
143: [00:53:14] Rep: 100 Mol:6
143: [00:53:14] Rep: 100 Mol:10
143: [00:53:14] Rep: 100 Mol:14
143: [00:53:14] Rep: 100 Mol:18
143: [00:53:14] Rep: 100 Mol:22
143: [00:53:14] Rep: 100 Mol:26
143: [00:53:14] Rep: 100 Mol:30
128: [00:53:14] done
128: [00:53:14] -------------------------------------
128: [00:53:14] Test GitHub Issue 258: Bad pattern fingerprint for query molecule
128: [00:53:14] done
128: [00:53:14] -------------------------------------
128: [00:53:14] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] done
128: [00:53:14] -------------------------------------
128: [00:53:14] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
128: [00:53:14] done
128: [00:53:14] -------------------------------------
128: [00:53:14] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] done
128: [00:53:14] -------------------------------------
128: [00:53:14] Test unfolded version of RDKFP
128: [00:53:14] -------------------------------------
128: [00:53:14] Test bitinfo of RDKFP
128: 562: [ 2 ],
128: 709: [ 0 1 ],
128: 1118: [ 0 1 2 ],
128: 1183: [ 1 2 ],
128: 1233: [ 0 1 2 ],
128: 1308: [ 0 ], [ 1 ],
128: 1339: [ 2 ],
128: 1728: [ 1 2 ],
128: 1772: [ 0 ], [ 1 ],
128: 1813: [ 0 1 ],
128: ------------
128: [00:53:14] -------------------------------------
128: [00:53:14] Single atoms setting radius 1 bits in Morgan fingerprints
128: [00:53:14] done
128: [00:53:14] -------------------------------------
128: [00:53:14] Github #879: Pattern fingerprint should set bits for single-atom fragments.
128: [00:53:14] done
128: [00:53:14] -------------------------------------
128: [00:53:14] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms
128: [00:53:14] done
128: [00:53:14] -------------------------------------
128: [00:53:14] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False
128: [00:53:14] done
128: [00:53:14] -------------------------------------
128: [00:53:14] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use AtomPairGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
128: [00:53:14] done
128: [00:53:14] -------------------------------------
128: [00:53:14] Github #2115: BitInfo not complete for RDKFingerprint
128: [00:53:14] done
128: [00:53:14] -------------------------------------
128: [00:53:14] Github #3723: Fingerprint crash for mols with Zero order bonds
128: [00:53:14] done
137/235 Test #128: testFingerprints ....................... Passed 2.62 sec
test 149
Start 149: testMolAlign
149: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/testMolAlign
149: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign
149: Test timeout computed to be: 1500
141: [00:53:14] Rep: 60 Mol:2
141: [00:53:14] Rep: 60 Mol:6
141: [00:53:14] Rep: 60 Mol:10
141: [00:53:14] Rep: 60 Mol:14
141: [00:53:14] Rep: 60 Mol:18
141: [00:53:14] Rep: 60 Mol:22
141: [00:53:14] Rep: 60 Mol:26
141: [00:53:14] Rep: 60 Mol:30
141: [00:53:14] Rep: 80 Mol:0
141: [00:53:14] Rep: 80 Mol:4
141: [00:53:14] Rep: 80 Mol:8
141: [00:53:14] Rep: 80 Mol:12
141: [00:53:14] Rep: 80 Mol:16
141: [00:53:14] Rep: 80 Mol:20
141: [00:53:14] Rep: 80 Mol:24
141: [00:53:14] Rep: 80 Mol:28
149: ***********************************************************
149: Testing MolAlign
149: ---------------------------------
149: test1MolAlign
149:
149: ---------------------------------
149: test1GetBestRMS
149:
149: ---------------------------------
149: test1MolWithQueryAlign
149:
149: ---------------------------------
149: test2AtomMap
149:
149: ---------------------------------
149: test3Weights
149:
149: ---------------------------------
149: testIssue241
149:
149: ***********************************************************
138/235 Test #149: testMolAlign ........................... Passed 0.14 sec
test 150
Start 150: testO3AAlign
150: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/testO3AAlign
150: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign
150: Test timeout computed to be: 1500
141: [00:53:14] Rep: 80 Mol:2
141: [00:53:14] Rep: 80 Mol:6
141: [00:53:14] Rep: 80 Mol:10
141: [00:53:14] Rep: 80 Mol:14
141: [00:53:14] Rep: 80 Mol:18
141: [00:53:14] Rep: 80 Mol:22
141: [00:53:14] Rep: 80 Mol:26
141: [00:53:14] Rep: 80 Mol:30
148: .[00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: ..[00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
125: Warning: Atom Count for residue GLU5A does not match expected count
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
125: Warning: Atom Count for residue ASN39A does not match expected count
148: ..[00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
125: Warning: Atom Count for residue GLU53A does not match expected count
125: Warning: Atom Count for residue ARG64A does not match expected count
125: Warning: Atom Count for residue LYS80A does not match expected count
148: .[00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
125: Warning: Atom Count for residue GLU150A does not match expected count
125: Warning: Atom Count for residue ASN157A does not match expected count
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
141: [00:53:14] done
141: [00:53:14] -------------------------------------
141: [00:53:14] Test MMFF multithreading2
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 6
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
125: ===============================================================================
125: All tests passed (515 assertions in 10 test cases)
125:
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
139/235 Test #125: descriptorsTestCatch ................... Passed 3.63 sec
test 151
Start 151: molAlignCatchTest
151: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/molAlignCatchTest
151: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign
151: Test timeout computed to be: 1500
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
143: [00:53:14] done
143: [00:53:14] -------------------------------------
143: [00:53:14] Test UFF multithreading2
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 6
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
151: Randomness seeded to: 1715960923
151: 41364920
147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 6
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
151: 76479360
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
146: [00:53:13] ---------------------------------
146: [00:53:13] test3
146:
146: [00:53:13] ---------------------------------
146: [00:53:13] test4
146:
146: [00:53:13] ---------------------------------
146: [00:53:13] test5
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] test6
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] test15Dists
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] test Issue 215
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] testMultipleConfs
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] testMultipleConfsExpTors
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] testIssue227
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] testIssue236
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] testOrdering
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] testIssue244
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] testIssue251
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] testIssue276
146: [00:53:14] ---------------------------------
146: [00:53:14] testIssue284
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] testIssue285
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] testIssue355
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] testRandomCoords
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] test sf.net issue 1989539
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] test sf.net issue 2091864
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] test constrained embedding
146:
146: [00:53:14] ssd: 0.0752641
146: [00:53:14] ssd: 0.0659363
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 11
147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 11
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
147: [00:53:14] UFFTYPER: Warning: hybridization set to SP3 for atom 11
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:14] Molecule does not have explicit Hs. Consider calling AddHs()
148: .[00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
146: [00:53:14] ---------------------------------
146: [00:53:14] test sf.net issue 2091974
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] test sf.net issue 2835784
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] test sf.net issue 3019283
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] test sf.net issue 3238580
146:
146: [00:53:14] ---------------------------------
146: [00:53:14] test sf.net issue 3483968
146:
146: [00:53:15] ---------------------------------
146: [00:53:15] test github issue 55
146:
146: [00:53:15] ---------------------------------
146: [00:53:15] test1
146:
146: [00:53:15] ---------------------------------
146: [00:53:15] test multi-threading
146:
146: building molecules
146: generating reference data
52: Randomness seeded to: 4255240094
52: ===============================================================================
52: All tests passed (14835 assertions in 14 test cases)
52:
140/235 Test #52: canonTestsCatch ........................ Passed 9.16 sec
test 152
Start 152: pyMolAlign
152: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap/testMolAlign.py"
152: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap
152: Test timeout computed to be: 1500
141: [00:53:15] done
141: [00:53:15] -------------------------------------
141: [00:53:15] Test MMFF multithreading3
148: [00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
143: [00:53:15] done
143: [00:53:15] -------------------------------------
143: [00:53:15] Test UFF multithreading3
148: [00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
141: [00:53:15] done
141: [00:53:15] -------------------------------------
141: [00:53:15] Testing github 162: Incorrect SMILES after MMFF parameterization .
141: [00:53:15] done
141: [00:53:15] -------------------------------------
141: [00:53:15] Testing github 224: crash during MMFF parameterization .
141: [00:53:15] done
141: [00:53:15] -------------------------------------
141: [00:53:15] Testing github6728: crash due to missing stretch-bend params.
141/235 Test #141: testMMFFForceFieldHelpers .............. Passed 2.60 sec
test 153
Start 153: testFeatures
153: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
153: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures
153: Test timeout computed to be: 1500
153: [00:53:15] -------------------------------------
153: [00:53:15] AtomType parser testing.
153: [00:53:15] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]
153: [00:53:15] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]'
153: [00:53:15] done
153: [00:53:15] -------------------------------------
153: [00:53:15] FeatureDefinition parser testing.
153: [00:53:15] done
153: [00:53:15] -------------------------------------
153: [00:53:15] Test pulling feat defs from a string.
153: [00:53:15] done
153: [00:53:15] -------------------------------------
153: [00:53:15] FeatureDef functionality testing.
153: [00:53:15] done
153: [00:53:15] -------------------------------------
153: [00:53:15] FeatureFactory testing.
153: [00:53:15] 1
153: [00:53:15] 2
153: [00:53:15] 3
153: [00:53:15] 4
153: [00:53:15] 5
153: [00:53:15] 6
153: [00:53:15] done
153: [00:53:15] -------------------------------------
153: [00:53:15] Feature Location testing.
153: [00:53:15] done
153: [00:53:15] -------------------------------------
153: [00:53:15] Test building a FeatureFactory from a file
153: [00:53:15] done
153: [00:53:15] -------------------------------------
153: [00:53:15] Testing Issue 224.
153: [00:53:15] done
153: [00:53:15] -------------------------------------
153: [00:53:15] Testing Issue 225.
153: [00:53:15] done
153: [00:53:15] -------------------------------------
153: [00:53:15] Test Issue346
153: [00:53:15] done
153: [00:53:15] -------------------------------------
153: [00:53:15] Test Issue347
153: [00:53:15] done
153: [00:53:15] -------------------------------------
153: [00:53:15] Testing Issue 348.
153: [00:53:15] SMARTS Parse Error: syntax error while parsing: [C[C]
153: [00:53:15] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]'
153: [00:53:15] -------------------------------------
153: [00:53:15] Testing Nested AtomType definitions.
153: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])]
153: [00:53:15] -------------------------------------
153: [00:53:15] Testing Github Issue #252: crash when calling getPos() with no conformer.
153: [00:53:15] expect a precondition failure message below
153: [00:53:15]
153:
153: ****
153: Pre-condition Violation
153: molecule has no conformers
153: Violation occurred on line 37 in file ./Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp
153: Failed Expression: dp_mol->getNumConformers()
153: ----------
153: Stacktrace:
153: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
153: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
153: 2# RDKit::MolChemicalFeature::getPos(int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1
153: 3# RDKit::MolChemicalFeature::getPos() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1
153: 4# 0x0000AAAAE3731AB0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
153: 5# 0x0000AAAAE3724568 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
153: 6# 0x0000FFFFAC8E229C in /lib/aarch64-linux-gnu/libc.so.6
153: 7# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
153: 8# 0x0000AAAAE3724730 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
153: ----------
153: ****
153:
153: [00:53:15] Done
153: [00:53:15] -------------------------------------
153: [00:53:15] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol()
153: [00:53:15] done
142/235 Test #153: testFeatures ........................... Passed 0.03 sec
test 154
Start 154: pyChemicalFeatures
154: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py"
154: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap
154: Test timeout computed to be: 1500
143: [00:53:15] done
143: [00:53:15] -------------------------------------
143: [00:53:15] Testing GitHubIssue62.
143: [00:53:15] beta-lactam 39.6387
143: [00:53:15] cyclopropanone 174.698
143: [00:53:15] aziridine 337.986
143: [00:53:15] aziridinone 115.248
143: [00:53:15] isobutene 2.48217
143: [00:53:15] acetone 1.91788
143: [00:53:15] cyclopentanone 10.1648
143: [00:53:15] cyclopropene 99.4921
143: [00:53:15] cyclobutene 41.0156
143: [00:53:15] cyclopropane 267.236
143: [00:53:15] gamma-lactam 15.7471
143: [00:53:15] trans-2,3-diphenylcyclopropan-1-one 203.398
143: [00:53:15] cis-2,3-diphenylcyclopropan-1-one 206.852
143: [00:53:15] 2,3-diphenylcyclopropa-2-en-1-one 20.0443
143: [00:53:15] cyclopropylidencyclobutane 218.879
148: [00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
143: [00:53:15] diphenylmethylidencyclobutane 79.6139
143: [00:53:15] done
143: [00:53:15] -------------------------------------
143: [00:53:15] Test Github Issue 613: UFF Atom type not properly assigned to lanthanides.
143: [00:53:15] done
143: [00:53:15] -------------------------------------
143: [00:53:15] Test square planar complexes
143: [00:53:15] done
143: [00:53:15] -------------------------------------
143: [00:53:15] Test octahedral complexes
143: [00:53:15] done
143/235 Test #143: testUFFForceFieldHelpers ............... Passed 2.64 sec
test 155
Start 155: testShapeHelpers
155: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/testShapeHelpers
155: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers
155: Test timeout computed to be: 1500
155: ***********************************************************
155: Testing ShapeHelpers
155: ---------------------------------
155: test1Encode
155:
155: ---------------------------------
155: test2Compare
155:
155: ---------------------------------
155: testGithub4364
155:
155: ***********************************************************
144/235 Test #155: testShapeHelpers ....................... Passed 0.03 sec
test 156
Start 156: pyShapeHelpers
156: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py"
156: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap
156: Test timeout computed to be: 1500
154: .[00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
154: .[00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
154: ..[00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
154: .[00:53:15] Molecule does not have explicit Hs. Consider calling AddHs()
154: .[00:53:15] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ]
154: [00:53:15] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]'
154: ...
154: ----------------------------------------------------------------------
154: Ran 9 tests in 0.058s
154:
154: OK
145/235 Test #154: pyChemicalFeatures ..................... Passed 0.27 sec
test 157
Start 157: testMolCatalog
157: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/testMolCatalog
157: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog
157: Test timeout computed to be: 1500
146/235 Test #157: testMolCatalog ......................... Passed 0.02 sec
test 158
Start 158: pyMolCatalog
158: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/Wrap/rough_test.py"
158: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap
158: Test timeout computed to be: 1500
151: 1225827040
156: .
156: ----------------------------------------------------------------------
156: Ran 1 test in 0.025s
156:
156: OK
156: Testing Shape Helpers wrapper
147/235 Test #156: pyShapeHelpers ......................... Passed 0.25 sec
test 159
Start 159: moldraw2DTest1
159: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTest1
159: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D
159: Test timeout computed to be: 1500
159: ----------------- Test 1
126: Warning: Atom Count for residue GLU5A does not match expected count
126: Warning: Atom Count for residue ASN39A does not match expected count
126: Warning: Atom Count for residue GLU53A does not match expected count
126: Warning: Atom Count for residue ARG64A does not match expected count
126: Warning: Atom Count for residue LYS80A does not match expected count
159: file test1_6.svg gave hash 1109656969U not the expected 2635907956U
159: Done
159: ----------------- Test 2
126: Warning: Atom Count for residue GLU150A does not match expected count
126: Warning: Atom Count for residue ASN157A does not match expected count
159: file test2_1.png gave hash 2906135263U not the expected 638584804U
159: file test2_2.png gave hash 1323626475U not the expected 610424244U
126: .[00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: .[00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: ..[00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
126: .[00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: ...[00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: [00:53:16] DEPRECATION WARNING: please use MorganGenerator
126: ....[00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
126: ....[00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
126: [00:53:16] DEPRECATION WARNING: please use AtomPairGenerator
126: .[00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: ..[00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
159: file test2_3.png gave hash 2294574389U not the expected 2179746375U
159: Done
159: ----------------- Test 4
126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: .[00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: [00:53:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
126: ...
126: ----------------------------------------------------------------------
126: Ran 31 tests in 4.797s
126:
126: OK
126: exactmw 78.046950192
126: amw 78.11399999999999
126: lipinskiHBA 0.0
126: lipinskiHBD 0.0
126: NumRotatableBonds 0.0
126: NumHBD 0.0
126: NumHBA 0.0
126: NumHeavyAtoms 6.0
126: NumAtoms 12.0
126: NumHeteroatoms 0.0
126: NumAmideBonds 0.0
126: FractionCSP3 0.0
126: NumRings 1.0
126: NumAromaticRings 1.0
126: NumAliphaticRings 0.0
126: NumSaturatedRings 0.0
126: NumHeterocycles 0.0
126: NumAromaticHeterocycles 0.0
126: NumSaturatedHeterocycles 0.0
126: NumAliphaticHeterocycles 0.0
126: NumSpiroAtoms 0.0
126: NumBridgeheadAtoms 0.0
126: NumAtomStereoCenters 0.0
126: NumUnspecifiedAtomStereoCenters 0.0
126: labuteASA 37.43140311949697
126: tpsa 0.0
126: CrippenClogP 1.6866
126: CrippenMR 26.441999999999993
126: chi0v 3.464101615137755
126: chi1v 2.0000000000000004
126: chi2v 0.6666666666666671
126: chi3v 0.6666666666666671
126: chi4v 0.38490017945975075
126: chi0n 3.464101615137755
126: chi1n 2.0000000000000004
126: chi2n 0.6666666666666671
126: chi3n 0.6666666666666671
126: chi4n 0.38490017945975075
126: hallKierAlpha -0.78
126: kappa1 3.4115708812260532
126: kappa2 1.6057694396735218
126: kappa3 0.5823992601400448
126: Phi 0.9130327103921437
126: CustomNumAtoms 6.0
126: exactmw 78.046950192
126: lipinskiHBA 0.0
159: file test4_1.png gave hash 2529400033U not the expected 3993974247U
159: Done
159: ----------------- Test 5
158: .
158: ----------------------------------------------------------------------
158: Ran 1 test in 0.014s
158:
158: OK
159: file test5_1.png gave hash 1609648752U not the expected 571291290U
159: file test5_2.png gave hash 2470719886U not the expected 97265124U
159: file test5_3.png gave hash 1735485981U not the expected 606188176U
159: Done
159: ----------------- Test 6 (atom labels)
159: Done
159: ----------------- Test 7 (backgrounds)
159: file test7_1.png gave hash 3442107642U not the expected 1322246680U
159: file test7_2.png gave hash 2446896946U not the expected 1499012715U
159: Done
159: ----------------- Test8: PrepareMolDrawing
159: Done
159: ----------------- Test multi-threaded drawing
159: reading molecules
148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
148/235 Test #158: pyMolCatalog ........................... Passed 0.33 sec
test 160
Start 160: moldraw2DTestCatch
160: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D
160: Test timeout computed to be: 1500
149/235 Test #126: pyMolDescriptors ....................... Passed 5.18 sec
test 161
Start 161: moldraw2DRxnTest1
161: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DRxnTest1
161: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D
161: Test timeout computed to be: 1500
159: generating reference drawings
161: ----------------- Test 1
161: file rxn_test1_1.png gave hash 169116773U not the expected 801892091U
161: file rxn_test1_2.png gave hash 1054415001U not the expected 507435337U
151: 332062400
151: ===============================================================================
151: All tests passed (73 assertions in 3 test cases)
151:
150/235 Test #151: molAlignCatchTest ...................... Passed 1.78 sec
test 162
Start 162: pyMolDraw2D
162: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py"
162: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap
162: Test timeout computed to be: 1500
161: file rxn_test1_3.png gave hash 1401039782U not the expected 1590809137U
160: Randomness seeded to: 2107901886
160: file contourMol_1.svg gave hash 4125787245U not the expected 3634867913U
161: file rxn_test1_4.png gave hash 1077411151U not the expected 1766700542U
160: file contourMol_2.svg gave hash 2761342533U not the expected 1815941817U
161: file rxn_test1_5.png gave hash 1082898052U not the expected 2552100594U
160: file contourMol_3.svg gave hash 1333854566U not the expected 2579392727U
160: file contourMol_4.svg gave hash 4249475618U not the expected 2914799663U
160: file contourMol_5.svg gave hash 3376179346U not the expected 3792684719U
148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
146: validating reference data
161: file rxn_test1_6.png gave hash 2614641009U not the expected 3791582903U
159: processing
159: launch :0
159: launch :1
159: launch :2
159: launch :3
160: file testGithub3226_1.png gave hash 2884766435U not the expected 3165135374U
161: file rxn_test1_7.png gave hash 2659385921U not the expected 1461397406U
161: Done
161: ----------------- Test 2: some examples that caused problems in testing
160: file testGithub3226_2.png gave hash 2496669020U not the expected 643975155U
160: file testGithub3226_3.png gave hash 3470350919U not the expected 3119571946U
161: file rxn_test2_1.png gave hash 2159157032U not the expected 3551633840U
160: file testPNGMetadata_1.png gave hash 3544974138U not the expected 997629701U
161: 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
161: file rxn_test2_2_1.png gave hash 558529985U not the expected 1268122583U
161: 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
161: file rxn_test2_2_2.png gave hash 431249733U not the expected 82821108U
160: file testPNGMetadata_2.png gave hash 2226910827U not the expected 1797853056U
161: 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
161: 2 C3)c4cccc(c4Cl)Cl CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl
161: 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
161: file rxn_test2_2_3.png gave hash 4183177411U not the expected 3828365604U
161: 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
161: file rxn_test2_2_4.png gave hash 798840480U not the expected 1230108677U
161: Done
161: ----------------- Test 3: test reactant highlighting
161: file rxn_test3_1.png gave hash 4020922188U not the expected 4189980366U
161: Done
161: ----------------- Test 4: some examples from SMARTS in testing
161: draw!
148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
160: file testHandDrawn-1.svg gave hash 1143910631U not the expected 2253418236U
160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
161: file rxn_test4_1.png gave hash 1538512166U not the expected 2745201873U
161: done
160: file testHandDrawn-1.png gave hash 2532617830U not the expected 3894611804U
161: file rxn_test4_2.png gave hash 4290002109U not the expected 3094925886U
160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
161: Done
151/235 Test #161: moldraw2DRxnTest1 ...................... Passed 0.26 sec
test 163
Start 163: testFMCS
163: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/testFMCS
163: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS
163: Test timeout computed to be: 1500
160: file testHandDrawn-2.svg gave hash 700659102U not the expected 794717511U
160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
162: ...[00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Amadeus.ttf not found.
162: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
160: file testHandDrawn-2.png gave hash 1194644863U not the expected 1443443188U
160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
160: file testHandDrawn-3.svg gave hash 2359787964U not the expected 3982694296U
160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
160: file testHandDrawn-3.png gave hash 3369355742U not the expected 865629432U
160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
160: file testHandDrawn-4.svg gave hash 1880974760U not the expected 2146113517U
160: [00:53:16] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
160: [00:53:16] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
162: ..........[00:53:16]
162:
162: ****
160: file testHandDrawn-4.png gave hash 1247155982U not the expected 3919767093U
162: Pre-condition Violation
162: molecule must not be None
162: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
162: Failed Expression: m
162: ----------
162: Stacktrace:
162: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
162: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
162: 2# RDKit::prepMolForDrawing(RDKit::ROMol const*, bool, bool, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so
162: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::ROMol* (*)(RDKit::ROMol const*, bool, bool, bool, bool, bool), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector7<RDKit::ROMol*, RDKit::ROMol const*, bool, bool, bool, bool, bool> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so
162: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
162: 5# 0x0000FFFF86AA2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
162: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
162: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
162: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
162: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
162: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
162: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
162: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
162: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
162: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
162: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
162: 16# 0x0000FFFF860BB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
162: 17# 0x0000FFFF860BB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
162: 18# 0x0000FFFF860BB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
162: 19# 0x0000FFFF860BB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
162: 20# 0x0000FFFF860BB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
162: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
162: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
162: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
162: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
162: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
162: 26# 0x0000FFFF86A9F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
162: 27# _PyObject_MakeTpCall in /usr/bin/python3
162: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
162: 29# 0x0000000000531670 in /usr/bin/python3
162: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
162: 31# 0x00000000004AB0F4 in /usr/bin/python3
162: 32# 0x0000000000662B58 in /usr/bin/python3
162: 33# _PyObject_MakeTpCall in /usr/bin/python3
162: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
162: 35# 0x0000000000531670 in /usr/bin/python3
162: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
162: 37# 0x00000000004AB0F4 in /usr/bin/python3
162: 38# 0x0000000000662B58 in /usr/bin/python3
162: 39# _PyObject_MakeTpCall in /usr/bin/python3
162: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
162: 41# 0x0000000000531670 in /usr/bin/python3
162: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
162: 43# 0x00000000004AB0F4 in /usr/bin/python3
162: 44# 0x0000000000662B58 in /usr/bin/python3
162: 45# _PyObject_MakeTpCall in /usr/bin/python3
162: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
162: 47# 0x0000000000503430 in /usr/bin/python3
162: 48# _PyObject_MakeTpCall in /usr/bin/python3
162: 49# _PyEval_EvalFrameDefault in /usr/bin/python3
162: 50# PyEval_EvalCode in /usr/bin/python3
162: 51# 0x00000000005FD91C in /usr/bin/python3
162: 52# 0x00000000005F7E70 in /usr/bin/python3
162: 53# 0x00000000006258F0 in /usr/bin/python3
162: 54# 0x0000000000625034 in /usr/bin/python3
162: 55# 0x0000000000624DCC in /usr/bin/python3
162: 56# Py_RunMain in /usr/bin/python3
162: 57# Py_BytesMain in /usr/bin/python3
162: 58# 0x0000FFFF883C229C in /lib/aarch64-linux-gnu/libc.so.6
162: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
162: 60# _start in /usr/bin/python3
162: ----------
162: ****
162:
29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
162: ......................
162: ----------------------------------------------------------------------
162: Ran 35 tests in 0.138s
162:
162: OK
162: json lasso
152/235 Test #162: pyMolDraw2D ............................ Passed 0.38 sec
test 164
Start 164: pyFMCS
164: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap/testFMCS.py"
164: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap
164: Test timeout computed to be: 1500
148: [00:53:16] Molecule does not have explicit Hs. Consider calling AddHs()
29: All 191 tests passed
29: done
29: -------------------------------------
29: Unit tests for all MMFF constraint terms.
29: 10.0003
29: done
29: -------------------------------------
29: Unit test for MMFF TorsionConstraint close to 0 degrees.
29: done
29: -------------------------------------
29: Unit tests for copying MMFF ForceFields.
29: done
29: -------------------------------------
29: Unit test for MMFF butane scan.
160: file testHandDrawn-5a.svg gave hash 2796249138U not the expected 1567781555U
160: [00:53:17] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
160: [00:53:17] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
160: file testHandDrawn-5b.svg gave hash 4043231252U not the expected 66354106U
160: [00:53:17] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
160: [00:53:17] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
160: file testHandDrawn-5.png gave hash 2430523987U not the expected 828378555U
160: file testBrackets-5a.svg gave hash 279553678U not the expected 1447240271U
160: file testPositionVariation-1b.svg gave hash 3055422087U not the expected 3269244452U
150: ***********************************************************
150: Testing O3AAlign
150: ---------------------------------
150: testMMFFO3A
150:
150: ---------------------------------
150: testMMFFO3A with pre-computed dmat and MolHistogram
150:
150: ---------------------------------
150: testMMFFO3A with constraints
150:
150: ---------------------------------
150: testMMFFO3A with variable weight constraints followed by local-only optimization
150:
150: ---------------------------------
150: testCrippenO3A
150:
150: ---------------------------------
150: testCrippenO3A with pre-computed dmat and MolHistogram
150:
150: ---------------------------------
150: testCrippenO3A with constraints
150:
150: ---------------------------------
150: testCrippenO3A with variable weight constraints followed by local-only optimization
150:
150: ---------------------------------
150: testMMFFO3A multithreading
150:
150: generating reference data
29: done
153/235 Test #29: testMMFFForceField ..................... Passed 11.67 sec
test 165
Start 165: FMCStest
165: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test/FMCStest
165: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test
165: Test timeout computed to be: 1500
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_15113.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_16613.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_30745.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_30861.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_31495.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_34869.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_36158.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_36559.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_37434.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_39147.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_43754.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_44011.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_44158.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_48076.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_48961.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_49648.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_49703.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_51128.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_51343.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_51842.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_54554.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_100_55749.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_17256.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20244.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20245.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30149.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30499.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_36186.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_39262.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_43966.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_45279.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_48029.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49064.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49801.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_50681.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_54039.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58265.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58358.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58866.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10188_60810.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21358.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21597.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30111.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30349.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31746.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31822.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_35220.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37603.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37964.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_39508.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42164.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42577.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_44072.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_45522.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46700.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46719.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46744.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_48517.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_49087.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_50034.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_51475.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53483.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53506.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_54598.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55614.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55737.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57090.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57705.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57785.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_58463.txt
165:
165: testChEMBfopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
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165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
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165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
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165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
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165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: L_Txt() chembl_II_sets/Target_no_10193_58700.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61003.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61349.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10260_38526.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10260_50778.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10260_52179.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10260_54285.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_30224.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_31222.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37349.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37369.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37465.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37541.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_38371.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44314.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44578.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_45765.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_46281.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_47928.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_50624.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51341.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51662.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51767.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53081.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53396.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53407.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_58823.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_59190.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_60672.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10280_61176.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10434_20905.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30074.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30175.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30423.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10434_31555.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10434_34878.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10434_35926.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10434_42168.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_20859.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_30060.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_30061.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_30606.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_30866.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_31249.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_34921.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_35188.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_36636.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_37466.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_39202.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_43952.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_49345.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_49591.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_49854.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_51416.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_53537.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_58879.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_60679.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_107_61269.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_20600.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_20859.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_30060.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_30606.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_30866.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_31558.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_35188.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_37466.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_43875.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_48911.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_49591.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_49854.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: no_108_57887.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_60679.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_108_6857.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_15478.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_20853.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30840.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30862.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30918.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30994.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31014.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31508.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31623.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35003.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35004.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35281.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35957.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36520.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36641.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_38586.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_44431.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_45093.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_51302.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5247.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_52937.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_57198.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5739.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_10980_6535.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20205.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20986.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_30091.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34698.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34705.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37038.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37272.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37447.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38909.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38953.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_39472.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_45825.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_47179.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49028.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49860.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_51984.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53395.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53826.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54121.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54530.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_55738.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_57725.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11140_58590.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11365_20432.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11365_30331.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11365_37956.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11365_48114.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11365_58566.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34731.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34818.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37318.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37339.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37564.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39504.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39561.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46082.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46089.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47349.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47757.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_51593.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_54754.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58262.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58958.txt
165:
165: testChEMBL_Txt(fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: ) chembl_II_sets/Target_no_114_16827.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_20503.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_20724.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_30254.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_30321.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_30572.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_31116.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_31281.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_31443.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_34747.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_34920.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_35040.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_36623.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_37136.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_37208.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_38298.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_38554.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_39088.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_39543.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_44049.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_44562.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_45180.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_45867.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_46087.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_46829.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_47546.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_48395.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_50461.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_50765.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_51669.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_52381.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_57231.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_114_58246.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11534_30999.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31021.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31650.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11534_35011.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11534_37014.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11534_44598.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11534_48446.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50614.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50615.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50618.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11534_51950.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11575_31616.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11575_38381.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11575_45757.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11575_46816.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11575_50701.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11575_54049.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11575_57890.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11575_61045.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11631_30194.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11631_31421.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11631_35538.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11631_55727.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11631_60676.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11631_61130.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_11631_6444.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_15623.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_20096.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_21591.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_30184.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_30380.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_30745.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_30861.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_31619.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_34869.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_35284.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_36158.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_36915.txt
165:
165: testChEMBL_Txfopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: t() chembl_II_sets/Target_no_121_37434.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_37541.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_37677.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_38837.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_39530.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_43793.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_44158.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_44164.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_44579.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_44593.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_44692.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_44914.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_45878.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_48050.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_48706.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_48944.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_48961.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_49880.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_50055.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_50512.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_51064.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_53537.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_55749.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_58879.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_121_6876.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12209_44664.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12209_46451.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12209_50640.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12209_56102.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12209_58015.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59089.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59092.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12209_61340.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12252_31458.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12252_38481.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12252_42104.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49475.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49933.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12252_50558.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_126_37249.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_126_39117.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_126_48227.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_126_48229.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_126_53969.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_126_54262.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_126_55353.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_126_61212.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20250.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20506.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20626.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20689.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_21358.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30158.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30349.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_34843.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_35220.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36318.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36800.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_39349.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45385.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45676.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46700.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46719.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_48517.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_52690.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_53483.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_55435.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_56102.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58015.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58375.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_1295fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: 2_58700.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_13001_16724.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_13001_2710.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_13001_30128.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_13001_31250.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_13001_35519.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_13001_36905.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_13001_46788.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_13001_4737.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_13001_55736.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_13001_57473.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_16146.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_30313.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_30539.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_30653.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_30988.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_31179.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_31339.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_3525.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_36886.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_37020.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_38128.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_43952.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_45210.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_45899.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_47889.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_51800.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_53158.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_5330.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_55648.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_56096.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_57287.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_57399.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_57606.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_58470.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_130_60894.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_15010.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_20304.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_20542.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_20788.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_21358.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_30349.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_31103.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_31764.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_31822.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_35220.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_37964.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_42164.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_44072.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_45522.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_46719.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_46744.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_48416.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_49740.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_50034.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_50640.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_53483.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_53506.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_53814.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_55435.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_56074.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_56107.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_57090.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_57705.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_57785.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_57861.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_58583.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_59089.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_15_59092.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_20600.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_30764.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_34876.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_37427.tfopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: xt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_38266.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_45283.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_46990.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_47123.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_47900.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_48050.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_48062.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_48076.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_50718.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_50972.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_51372.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_51830.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_53049.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_53505.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_54021.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_54565.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_54570.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_57666.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_57890.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_58072.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_58634.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_58643.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_59080.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_59202.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_59346.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_60379.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_60385.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_165_61098.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_17045_31154.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_17045_35648.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_17045_48914.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_17045_51975.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_17045_52435.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_17045_55790.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_17045_58958.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_17045_61146.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20191.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20562.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20606.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20607.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30003.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30402.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30726.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30924.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31457.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31460.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31600.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31620.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31640.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31782.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31797.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31829.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31856.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34690.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34691.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34694.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_35712.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37497.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37539.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48070.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48219.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48824.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48902.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_52867.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_53534.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_54570.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_58727.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60159.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60661.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_30037.txt
165:
165: testChEMBL_Txt() chefopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
160: [00:53:17] unrecognized bond typefile testGithub4238_1.png gave hash 4081567765U not the expected 2623427676U
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: mbl_II_sets/Target_no_259_34734.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_35365.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_35787.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_36793.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_37845.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_38328.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_39374.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_43936.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_44059.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_44405.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_44424.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_45166.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_46158.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_46425.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_47187.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_48435.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_48817.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_48849.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_48957.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_48965.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_49519.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_49921.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_50392.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_50972.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_52405.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_52442.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_53169.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_54640.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_57207.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_58537.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_58920.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_259_60358.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_25_16077.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_25_34943.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_25_36391.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_25_36574.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_25_52906.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_25_54642.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_16385.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_20333.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_20774.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_35825.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_37637.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_47741.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_48567.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_48841.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_49589.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_50564.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_51201.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_53150.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_55747.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_43_58276.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_20813.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_2331.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_2391.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_30374.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_30512.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_30796.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_31058.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_31450.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_36609.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_36636.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_38266.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_43800.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_47621.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_49433.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_49550.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_49865.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_51005.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_52373.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_53878.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_54554.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_57508.txtfopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165:
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_57618.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_59484.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_51_6563.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_61_16845.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_61_37106.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_61_37272.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_61_47947.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_61_50754.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_61_55800.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_61_57380.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_65_35328.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_65_36137.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_65_38826.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_65_44596.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_65_51275.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_65_55671.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_20155.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_30616.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_30653.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_30988.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_31339.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_31527.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_31631.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_36047.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_36568.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_36636.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_37020.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_38128.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_43952.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_45210.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_47889.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_51064.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_51800.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_5330.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_57508.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_58470.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_72_60894.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_20730.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_20753.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_30097.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_30663.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_35365.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_35375.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_35918.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_36010.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_36780.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_36793.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_37845.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_39110.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_39546.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_43936.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_44405.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_44424.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_44683.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_45166.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_46648.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_46986.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_47070.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_47187.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_48435.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_48817.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_49138.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_49460.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_49519.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_49532.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_49829.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_50608.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_54640.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_87_61082.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_90_15727.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_90_20155.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_90_30407.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_90_3525.txt
165:
165: testChEMBfopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: fopen testChEMBL_Txt(): No such file or directory
165: L_Txt() chembl_II_sets/Target_no_93_12377.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_93_1308.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_93_34759.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_93_35447.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_93_42214.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_93_45877.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_93_47082.txt
165:
165: testChEMBL_Txt() chembl_II_sets/Target_no_93_57082.txt
165:
165: testFileSDF_RandomSet(): benchmark/chembl13-10000-random-pairs.sdf
165: ERROR: RDKit could not load input file
165:
165: testFileSDF_RandomSet(): benchmark/chembl13_pairs.smi
165: ERROR: RDKit could not load input file
165:
165: testFileSDF_RandomSet(): benchmark/chembl13_knearest_2.smi
165: ERROR: RDKit could not load input file
165:
165: testFileSDF_RandomSet(): benchmark/chembl13_knearest_10.smi
165: ERROR: RDKit could not load input file
165:
165: testFileSDF_RandomSet(): benchmark/chembl13_knearest_100.smi
165: ERROR: RDKit could not load input file
165:
165: testFileSDF_RandomSet(): benchmark/chembl13_threshold_80.smi
165: ERROR: RDKit could not load input file
165:
165: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi
165: ERROR: RDKit could not load input file
154/235 Test #165: FMCStest ............................... Passed 0.04 sec
test 166
Start 166: molHashCatchTest
166: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/molHashCatchTest
166: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash
166: Test timeout computed to be: 1500
160: file testGithub4323_1.png gave hash 3210012906U not the expected 3075787867U
146: processing
146: launch :0
146: launch :1
146: launch :2
146: launch :3
166: Randomness seeded to: 1331910046
166: ===============================================================================
166: All tests passed (363 assertions in 14 test cases)
166:
155/235 Test #166: molHashCatchTest ....................... Passed 0.08 sec
test 167
Start 167: pyMolHash
167: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap/testMolHash.py"
167: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap
167: Test timeout computed to be: 1500
148: .[00:53:17] Molecule does not have explicit Hs. Consider calling AddHs()
160: file testGithub4323_3.png gave hash 2585216301U not the expected 381907253U
160: [00:53:17] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered.
160: file testFlexiCanvas.2a.png gave hash 2206969409U not the expected 2609920321U
160: file testFlexiCanvas.2b.png gave hash 2563070594U not the expected 3615599154U
160: file testGithub4764.sz1.svg gave hash 2364628953U not the expected 3611125861U
160: file testGithub4764.sz2.svg gave hash 1490175526U not the expected 1936114454U
160: file testGithub4764.sz3.svg gave hash 1662881340U not the expected 2712214121U
160: file testGithub4764.sz1.png gave hash 434772931U not the expected 2179222277U
160: file testGithub4764.sz2.png gave hash 3567858909U not the expected 444262090U
167: ....
167: ----------------------------------------------------------------------
167: Ran 4 tests in 0.016s
167:
167: OK
160: file testGithub4764.sz3.png gave hash 3541535490U not the expected 3567162200U
160: file github5383_1.svg gave hash 2761342533U not the expected 1815941817U
160: file github5383_2.svg gave hash 2560846108U not the expected 0U
160: file github5383_1.png gave hash 186818321U not the expected 2893520928U
160: file acs1996_1.png gave hash 1116230394U not the expected 2329725800U
160: file acs1996_2.png gave hash 910959002U not the expected 2996350718U
160: file acs1996_3.svg gave hash 510450189U not the expected 879041204U
160: file acs1996_8.svg gave hash 3359655656U not the expected 4110469272U
160: file acs1996_10.svg gave hash 1008047306U not the expected 2229333301U
160: [00:53:17] 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.
160: file bond_highlights_8.svg gave hash 197391689U not the expected 3119784980U
156/235 Test #167: pyMolHash .............................. Passed 0.39 sec
test 168
Start 168: testMMPA
168: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/testMMPA
168: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA
168: Test timeout computed to be: 1500
160: file test_github5947.svg gave hash 737562322U not the expected 3122633523U
168:
168: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
168: Time elapsed 0.006359 seconds
168: 1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
168: 1: NOREF. Reference data NOT LISTED in test case.
168: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
168: 2: NOREF. Reference data NOT LISTED in test case.
168: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:3]([NH+]1CCCC1)[*:2]
168: 3: NOREF. Reference data NOT LISTED in test case.
168: 4: res= O=C(Nc1ccccc1[*:1])[C:0]([NH+]1CCCC1)[*:2],C[*:1].C[*:2]
168: 4: NOREF. Reference data NOT LISTED in test case.
168: 5: res= O=C(Nc1ccccc1[*:1])[C:0]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2]
168: 5: NOREF. Reference data NOT LISTED in test case.
160: file test_github6112.svg gave hash 3291975047U not the expected 3278777629U
168: 6: res= C[C:0](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1]
168: 6: NOREF. Reference data NOT LISTED in test case.
168: 7: res= NULL,C[C:2](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1]
168: 7: NOREF. Reference data NOT LISTED in test case.
168: 8: res= O=C(N[*:3])[*:1],C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:3]
168: 8: NOREF. Reference data NOT LISTED in test case.
168: 9: res= O=C(N[*:2])[C:0]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2]
168: 9: NOREF. Reference data NOT LISTED in test case.
168: 10: res= O=C(N[*:3])[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3]
168: 10: NOREF. Reference data NOT LISTED in test case.
168: 11: res= C[C:0](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2]
168: 11: NOREF. Reference data NOT LISTED in test case.
168: 12: res= NULL,C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1]
168: 12: NOREF. Reference data NOT LISTED in test case.
168: 13: res= C1CC[NH+]([C:0]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2]
168: 13: NOREF. Reference data NOT LISTED in test case.
168: 14: res= [C:0]([*:1])([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2]
168: 14: NOREF. Reference data NOT LISTED in test case.
168: 15: res= C[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1]
168: 15: NOREF. Reference data NOT LISTED in test case.
168: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:2]([NH+]1CCCC1)[*:1]
168: 16: NOREF. Reference data NOT LISTED in test case.
168: 17: res= Cc1ccccc1NC(=O)[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1]
168: 17: NOREF. Reference data NOT LISTED in test case.
168: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:2](C)[*:1]
168: 18: NOREF. Reference data NOT LISTED in test case.
168:
168: --- UNMATCHED Reference RESULTS: ---
168: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1]
168: -----------------------------------
168: Time elapsed 0.001973 seconds
168:
168: TEST 1 mol: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
168: 1: NULL, C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
168: 1: PASSED. matchedRefRes = 4
168: 2: O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21, C[*:1].O=C(NCCO)[*:2]
168: 2: PASSED. matchedRefRes = 1
168: 3: O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OCC[*:2]
168: 3: PASSED. matchedRefRes = 6
168: 4: O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OC[*:2]
168: 4: PASSED. matchedRefRes = 13
168: 5: O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].O[*:2]
168: 5: PASSED. matchedRefRes = 12
168: 6: NULL, Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1]
168: 6: PASSED. matchedRefRes = 10
160: file github6336_1.png gave hash 1930712448U not the expected 2958833204U
168: 7: O=C(N[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
168: 7: NOREF. Reference data NOT LISTED in test case.O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
168: 8: O=C(NC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
168: 8: NOREF. Reference data NOT LISTED in test case.O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
168: 9: O=C(NCC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1]
168: 9: NOREF. Reference data NOT LISTED in test case.O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1]
168: 10: NULL, Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
168: 10: PASSED. matchedRefRes = 3
168: 11: C([*:1])[*:2], Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
168: 11: NOREF. Reference data NOT LISTED in test case.C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
168: 12: C(C[*:2])[*:1], Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
168: 12: PASSED. matchedRefRes = 8
168: 13: NULL, Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1]
168: 13: PASSED. matchedRefRes = 9
168: 14: C([*:1])[*:2], Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
168: 14: PASSED. matchedRefRes = 11
168: 15: NULL, Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1]
168: 15: PASSED. matchedRefRes = 2
168:
168: --- UNMATCHED Reference RESULTS: ---
168: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2]
168: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2]
168: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
168: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2]
168: -----------------------------------
168:
168: TEST mol: ZINC21984717 Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
168: Time elapsed 0.002086 seconds
168: 1: res= NULL,C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
168: 1: PASSED. matchedRefRes = 4
168: 2: res= O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21,C[*:1].O=C(NCCO)[*:2]
168: 2: PASSED. matchedRefRes = 1
168: 3: res= O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OCC[*:2]
168: 3: PASSED. matchedRefRes = 6
168: 4: res= O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OC[*:2]
168: 4: PASSED. matchedRefRes = 13
168: 5: res= O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].O[*:2]
168: 5: PASSED. matchedRefRes = 12
168: 6: res= NULL,Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1]
168: 6: PASSED. matchedRefRes = 10
168: 7: res= O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
168: 7: NOREF. Reference data NOT LISTED in test case.
168: 8: res= O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
168: 8: NOREF. Reference data NOT LISTED in test case.
168: 9: res= O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1]
168: 9: NOREF. Reference data NOT LISTED in test case.
168: 10: res= NULL,Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
168: 10: PASSED. matchedRefRes = 3
168: 11: res= C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
168: 11: NOREF. Reference data NOT LISTED in test case.
168: 12: res= C(C[*:2])[*:1],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
168: 12: PASSED. matchedRefRes = 8
168: 13: res= NULL,Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1]
168: 13: PASSED. matchedRefRes = 9
168: 14: res= C([*:1])[*:2],Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
168: 14: PASSED. matchedRefRes = 11
168: 15: res= NULL,Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1]
168: 15: PASSED. matchedRefRes = 2
168:
168: --- UNMATCHED Reference RESULTS: ---
168: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2]
168: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2]
168: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
168: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2]
168: -----------------------------------
168:
168: TEST mol: Case1-SIMPLE CC(N1CC1)C(=O) Case1-SIMPLE
168: Time elapsed 0.000531 seconds
168: 1: res= NULL,C[*:1].O=CC(N1CC1)[*:1]
168: 1: PASSED. matchedRefRes = 2
168: 2: res= O=CC([*:1])[*:2],C1CN1[*:2].C[*:1]
168: 2: PASSED. matchedRefRes = 3
168: 3: res= C([*:1])([*:2])[*:3],C1CN1[*:3].C[*:1].O=C[*:2]
168: 3: NOREF. Reference data NOT LISTED in test case.
168: 4: res= C1CN1C([*:1])[*:2],C[*:1].O=C[*:2]
168: 4: PASSED. matchedRefRes = 4
168: 5: res= NULL,C1CN1[*:1].CC(C=O)[*:1]
168: 5: PASSED. matchedRefRes = 5
168: 6: res= CC([*:1])[*:2],C1CN1[*:2].O=C[*:1]
168: 6: NOREF. Reference data NOT LISTED in test case.
168: 7: res= NULL,CC(N1CC1)[*:1].O=C[*:1]
168: 7: PASSED. matchedRefRes = 7
168:
168: --- UNMATCHED Reference RESULTS: ---
168: 1: CC(N1CC1)C(=O),Case1-SIMPLE,C([*:1])([*:2])[*:3],C1CN1[*:2].C[*:1].O=C[*:3]
168: 6: CC(N1CC1)C(=O),Case1-SIMPLE,CC([*:1])[*:2],C1CN1[*:1].O=C[*:2]
168: -----------------------------------
168:
168: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
168: Time elapsed 0.002100 seconds
168: 1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
168: 1: NOREF. Reference data NOT LISTED in test case.
168: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
168: 2: NOREF. Reference data NOT LISTED in test case.
168: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:3]([NH+]1CCCC1)[*:2]
168: 3: NOREF. Reference data NOT LISTED in test case.
168: 4: res= O=C(Nc1ccccc1[*:1])[C:0]([NH+]1CCCC1)[*:2],C[*:1].C[*:2]
168: 4: NOREF. Reference data NOT LISTED in test case.
168: 5: res= O=C(Nc1ccccc1[*:1])[C:0]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2]
168: 5: NOREF. Reference data NOT LISTED in test case.
168: 6: res= C[C:0](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1]
168: 6: NOREF. Reference data NOT LISTED in test case.
168: 7: res= NULL,C[C:2](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1]
168: 7: NOREF. Reference data NOT LISTED in test case.
168: 8: res= O=C(N[*:3])[*:1],C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:3]
168: 8: NOREF. Reference data NOT LISTED in test case.
168: 9: res= O=C(N[*:2])[C:0]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2]
168: 9: NOREF. Reference data NOT LISTED in test case.
168: 10: res= O=C(N[*:3])[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3]
168: 10: NOREF. Reference data NOT LISTED in test case.
168: 11: res= C[C:0](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2]
168: 11: NOREF. Reference data NOT LISTED in test case.
168: 12: res= NULL,C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1]
168: 12: NOREF. Reference data NOT LISTED in test case.
168: 13: res= C1CC[NH+]([C:0]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2]
168: 13: NOREF. Reference data NOT LISTED in test case.
168: 14: res= [C:0]([*:1])([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2]
168: 14: NOREF. Reference data NOT LISTED in test case.
168: 15: res= C[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1]
168: 15: NOREF. Reference data NOT LISTED in test case.
168: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:2]([NH+]1CCCC1)[*:1]
168: 16: NOREF. Reference data NOT LISTED in test case.
168: 17: res= Cc1ccccc1NC(=O)[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1]
168: 17: NOREF. Reference data NOT LISTED in test case.
168: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:2](C)[*:1]
168: 18: NOREF. Reference data NOT LISTED in test case.
168:
168: --- UNMATCHED Reference RESULTS: ---
168: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1]
168: -----------------------------------
168:
168: TEST mol: Case2 O=C(OCc1ccccc1)C(O)c1ccccc1 Case2
168: Time elapsed 0.010418 seconds
168: 1: res= NULL,O=C(O[*:1])C(O)c1ccccc1.c1ccc(C[*:1])cc1
168: 1: NOREF. Reference data NOT LISTED in test case.
168: 2: res= C([*:1])[*:2],O=C(O[*:1])C(O)c1ccccc1.c1ccc([*:2])cc1
168: 2: NOREF. Reference data NOT LISTED in test case.
168: 3: res= O=C(O[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc(C[*:2])cc1
168: 3: NOREF. Reference data NOT LISTED in test case.
168: 4: res= O=C(O[*:1])C(c1ccccc1)[*:2],O[*:2].c1ccc(C[*:1])cc1
168: 4: NOREF. Reference data NOT LISTED in test case.
168: 5: res= O=C(O[*:1])C([*:2])[*:3],O[*:2].c1ccc(C[*:1])cc1.c1ccc([*:3])cc1
168: 5: NOREF. Reference data NOT LISTED in test case.
168: 6: res= O=C(O[*:1])C(O)[*:2],c1ccc(C[*:1])cc1.c1ccc([*:2])cc1
168: 6: NOREF. Reference data NOT LISTED in test case.
168: 7: res= NULL,O=C(OC[*:1])C(O)c1ccccc1.c1ccc([*:1])cc1
168: 7: NOREF. Reference data NOT LISTED in test case.
168: 8: res= O=C(OC[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc([*:2])cc1
168: 8: NOREF. Reference data NOT LISTED in test case.
168: 9: res= O=C(OC[*:2])C(c1ccccc1)[*:1],O[*:1].c1ccc([*:2])cc1
168: 9: NOREF. Reference data NOT LISTED in test case.
168: 10: res= O=C(OC[*:2])C([*:1])[*:3],O[*:1].c1ccc([*:2])cc1.c1ccc([*:3])cc1
168: 10: NOREF. Reference data NOT LISTED in test case.
168: 11: res= O=C(OC[*:1])C(O)[*:2],c1ccc([*:1])cc1.c1ccc([*:2])cc1
168: 11: NOREF. Reference data NOT LISTED in test case.
168: 12: res= NULL,O=C(OCc1ccccc1)[*:1].OC(c1ccccc1)[*:1]
168: 12: NOREF. Reference data NOT LISTED in test case.
168: 13: res= c1ccc(C([*:1])[*:2])cc1,O=C(OCc1ccccc1)[*:1].O[*:2]
168: 13: NOREF. Reference data NOT LISTED in test case.
168: 14: res= C([*:1])([*:2])[*:3],O=C(OCc1ccccc1)[*:1].O[*:2].c1ccc([*:3])cc1
168: 14: PASSED. matchedRefRes = 1
168: 15: res= OC([*:1])[*:2],O=C(OCc1ccccc1)[*:1].c1ccc([*:2])cc1
168: 15: NOREF. Reference data NOT LISTED in test case.
168: 16: res= NULL,O=C(OCc1ccccc1)C(c1ccccc1)[*:1].O[*:1]
168: 16: NOREF. Reference data NOT LISTED in test case.
168: 17: res= O=C(OCc1ccccc1)C([*:1])[*:2],O[*:1].c1ccc([*:2])cc1
168: 17: NOREF. Reference data NOT LISTED in test case.
168: 18: res= NULL,O=C(OCc1ccccc1)C(O)[*:1].c1ccc([*:1])cc1
168: 18: NOREF. Reference data NOT LISTED in test case.
168:
168: --- ALL PASSED ---
168: -----------------------------------
168: 5 TEST CASES FAILED
157/235 Test #168: testMMPA ............................... Passed 0.14 sec
test 169
Start 169: pyMMPA
169: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap/testMMPA.py"
169: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap
169: Test timeout computed to be: 1500
160: file AtropManyChiralsEnhanced.svg gave hash 643650995U not the expected 2256768013U
160: file testWedgingShouldBeOnSingleBond.svg gave hash 2637422009U not the expected 1002741488U
160: file testHighlightHeteroAtoms_1.svg gave hash 4006401146U not the expected 1769258632U
160: file testHighlightHeteroAtoms_2.svg gave hash 1248188292U not the expected 893937335U
160: file testGithub_7739_1.svg gave hash 1295207536U not the expected 2615562225U
160: file testGithub_7739_3.svg gave hash 3850267352U not the expected 1037942338U
160: file testGithub_7739_4.svg gave hash 1411616678U not the expected 3549083171U
160: [00:53:18]
160:
160: ****
160: Pre-condition Violation
160:
160: Violation occurred on line 206 in file ./Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
160: Failed Expression: atomIdx < atCds_.size() && atomIdx < atomLabels_.size()
160: ----------
160: Stacktrace:
160: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
160: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
160: 2# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::calcSymbolEllipse(unsigned int, RDGeom::Point2D&, double&, double&) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeAtomHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 8# 0x0000AAAACA145640 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 9# 0x0000AAAACA21500C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 10# 0x0000AAAACA2159C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 11# 0x0000AAAACA215DF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 12# 0x0000AAAACA1E96B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 13# 0x0000AAAACA1E9C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 14# 0x0000AAAACA13E930 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 15# 0x0000FFFF7EB9229C in /lib/aarch64-linux-gnu/libc.so.6
160: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
160: 17# 0x0000AAAACA13E9F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: ----------
160: ****
160:
160: [00:53:18]
160:
160: ****
160: Range Error
160: idx
160: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
160: Failed Expression: 2 < 0
160: ----------
160: Stacktrace:
160: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
160: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
160: 2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
160: 3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 8# 0x0000AAAACA145084 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 9# 0x0000AAAACA21500C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 10# 0x0000AAAACA2159C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 11# 0x0000AAAACA215DF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 12# 0x0000AAAACA1E96B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 13# 0x0000AAAACA1E9C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 14# 0x0000AAAACA13E930 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 15# 0x0000FFFF7EB9229C in /lib/aarch64-linux-gnu/libc.so.6
160: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
160: 17# 0x0000AAAACA13E9F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: ----------
160: ****
160:
160: [00:53:18]
160:
160: ****
160: Range Error
160: idx
160: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
160: Failed Expression: 0 < 0
160: ----------
160: Stacktrace:
160: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
160: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
160: 2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
160: 3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitMolDraw2D.so.1
160: 8# 0x0000AAAACA1456EC in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 9# 0x0000AAAACA21500C in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 10# 0x0000AAAACA2159C0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 11# 0x0000AAAACA215DF4 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 12# 0x0000AAAACA1E96B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 13# 0x0000AAAACA1E9C04 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 14# 0x0000AAAACA13E930 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: 15# 0x0000FFFF7EB9229C in /lib/aarch64-linux-gnu/libc.so.6
160: 16# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
160: 17# 0x0000AAAACA13E9F0 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
160: ----------
160: ****
160:
150: processing
150: launch :0
150: launch :1
150: launch :2
150: launch :3
160: file testSmallReactionCanvas.svg gave hash 3859901121U not the expected 2238356155U
163: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
163: Time elapsed 0.000 seconds
163:
163: test32()
163: 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
163: Time elapsed 0.055 seconds
163:
163: test190()
163: 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
163: Time elapsed 0.005 seconds
163:
163: test3()
163: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds
163: Time elapsed 0.007 seconds
163:
163: testSimpleFast()
163: 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
163: Time elapsed 0.055 seconds
163:
163: testSimple()
163: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
163: Time elapsed 0.051 seconds
163: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
163: Time elapsed 0.058 seconds
163: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
163: Time elapsed 0.068 seconds
163:
163: testSegFault()
163: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
163: Time elapsed 0.005 seconds
163: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
163: Time elapsed 0.007 seconds
163: 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
163: Time elapsed 0.006 seconds
163:
163: testThreshold()
163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
163: Time elapsed 0.000 seconds
163:
163: testRing1()
163: 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
163: Time elapsed 0.286 seconds
163: 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
163: Time elapsed 0.457 seconds
163: 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
163: Time elapsed 0.372 seconds
163:
163: testAtomCompareIsotopes()
163: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds
163: Time elapsed 0.000 seconds
163:
163: testAtomCompareAnyAtom()
163: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
163: Time elapsed 0.000 seconds
163:
163: testAtomCompareAnyAtom()
163: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
163: Time elapsed 0.000 seconds
163:
163: testAtomCompareAnyAtom()
163: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds
163: Time elapsed 0.000 seconds
163:
163: testAtomCompareAnyAtom()
163: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds
163: Time elapsed 0.000 seconds
163:
163: testJnk1LigandsDistance()
163: 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
163: Time elapsed 0.004 seconds
163: 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
160: ===============================================================================
160: All tests passed (6853 assertions in 115 test cases)
160:
158/235 Test #160: moldraw2DTestCatch ..................... Passed 1.83 sec
test 170
Start 170: testRascalMCES
170: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES
170: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES
170: Test timeout computed to be: 1500
163: Time elapsed 0.001 seconds
163:
163: test18()
163: 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
163: 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
163: Time elapsed 0.008 seconds
163:
163: test504()
163: 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
163: 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
163: Time elapsed 0.079 seconds
163: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
163: Time elapsed 0.001 seconds
163: 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
163: Time elapsed 0.014 seconds
163: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds
163: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0007 seconds. bond[0]=6
163: STATISTICS:
163: Total Growing Steps = 1, MCS found on 1 step, for 0.0007 seconds
163: Initial Seeds = 1, Mismatched 0
163: Inspected Seeds = 2
163: Rejected by BestSize = 0
163: IndividualBondExcluded = 0
163: MatchCheck Seeds = 2
163: MatchCalls = 2
163: MatchFound = 1
163: fastMatchCalls = 1
163: fastMatchFound = 0
163: slowMatchCalls = 2
163: slowMatchFound = 1
163: DupCacheFound = 0 0 matched, 0 mismatched
163: HashCache size = 1 keys
163: HashCache size = 1 entries
163: FindHashInCache = 2
163: HashFoundInCache= 0
163: ExactMatchCalls = 0
163: ExactMatchFound = 0
163: Time elapsed 0.001 seconds
163: query=OCCl SubstructMatch(useChirality=false) res =1 size=3
163: query=OCCl SubstructMatch(useChirality=true ) res =1 size=3
163: test target = O[C@H](F)CCl query = C(F)C useChirality = 0
163: res sub = 1 size=3
163: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds
163: test target = O[C@H](F)CCl query = C(F)C useChirality = 1
163: res sub = 1 size=3
163: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds
163: test target = CC[C@H](F)Cl query = CCC useChirality = 0
163: res sub = 1 size=3
163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
163: test target = CC[C@H](F)Cl query = CCC useChirality = 1
163: res sub = 1 size=3
163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
163: test target = CCC(F)Cl query = CC useChirality = 0
163: res sub = 1 size=2
163: MCS: [#6]-[#6] 2 atoms, 1 bonds
163: test target = CCC(F)Cl query = CC useChirality = 1
163: res sub = 1 size=2
163: MCS: [#6]-[#6] 2 atoms, 1 bonds
163: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 0
163: res sub = 1 size=4
163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 1
163: res sub = 1 size=4
163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 0
163: res sub = 1 size=4
163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 1
163: res sub = 1 size=4
163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = O[C@H](F)CCl query = CC(F)C useChirality = 0
163: res sub = 0 size=0
163: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds
163: test target = O[C@H](F)CCl query = CC(F)C useChirality = 1
163: res sub = 0 size=0
163: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds
163: test target = O[C@H](F)CCl query = OC(F)C useChirality = 0
163: res sub = 1 size=4
163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = O[C@H](F)CCl query = OC(F)C useChirality = 1
163: res sub = 1 size=4
163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 0
163: res sub = 1 size=4
163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 1
163: res sub = 1 size=4
163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 0
163: res sub = 1 size=4
163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 1
163: res sub = 0 size=0
163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
163: test target = OC(F)CCl query = OC(F)C useChirality = 0
163: res sub = 1 size=4
163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = OC(F)CCl query = OC(F)C useChirality = 1
163: res sub = 1 size=4
163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0
163: res sub = 1 size=4
163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = OC(F)CCl query = O[C@H](F)C useChirality = 1
163: res sub = 0 size=0
163: MCS: [#9] 1 atoms, 0 bonds
163: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0
163: res sub = 1 size=4
163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
163: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1
163: res sub = 0 size=0
163: MCS: [#9] 1 atoms, 0 bonds
163: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 0
163: res sub = 1 size=3
163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
163: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 1
163: res sub = 1 size=3
163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
163: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 0
163: res sub = 1 size=3
163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
163: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 1
163: res sub = 1 size=3
163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
163:
163: 0. <<<<<<<<< actual MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds >>>>>>>
163: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 0
163: res sub = 1 size=3
163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
163: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 1
163: res sub = 1 size=3
163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
163: done
163: [00:53:19] The provided InitialSeed is not an MCS and will be ignored
169: .........
169: ----------------------------------------------------------------------
169: Ran 9 tests in 1.905s
169:
169: OK
159/235 Test #169: pyMMPA ................................. Passed 2.25 sec
test 171
Start 171: testRascalCluster
171: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster
171: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES
171: Test timeout computed to be: 1500
164: ........................................[00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: .[00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: .[00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: .[00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: [00:53:20] The provided InitialSeed is not an MCS and will be ignored
164: .................
164: ----------------------------------------------------------------------
164: Ran 60 tests in 3.873s
164:
164: OK
160/235 Test #164: pyFMCS ................................. Passed 4.18 sec
test 172
Start 172: pyRascalMCES
172: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py"
172: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap
172: Test timeout computed to be: 1500
172: ..........[00:53:21] Too many matching bond pairs (1032) so can't continue.
159: Done
159: ----------------- Test Github #781: Rendering single-atom molecules
159: Done
159: ----------------- Test 3
159: file test3_1.png gave hash 1181396669U not the expected 675908852U
159: file test3_2.png gave hash 4048792454U not the expected 2452584093U
159: file test3_3.png gave hash 2988441799U not the expected 1907006999U
159: file test3_3.svg gave hash 1119144208U not the expected 1375178959U
159: file test3_4.png gave hash 219478152U not the expected 2305641511U
159: file test3_4.svg gave hash 2680534430U not the expected 187720898U
159: file test3_5.png gave hash 2409343939U not the expected 3842605920U
159: file test3_5.svg gave hash 3625812711U not the expected 300865579U
159: file test3_6.png gave hash 1038404642U not the expected 662622011U
159: file test3_7.png gave hash 1048229413U not the expected 469729412U
159: Done
159: ----------------- Test Github774: upside-down drawings
159: file test774_1.png gave hash 2642778207U not the expected 428322245U
159: file test774_2.png gave hash 3956536315U not the expected 4095288521U
159: Done
159: ----------------- Test 9 (molecule legends)
159: file test9_1.svg gave hash 923579170U not the expected 1484349178U
159: Done
159: ----------------- Test Github852: Lines used to wedge bonds are too thick
159: file test852_1.png gave hash 2380819510U not the expected 271517011U
159: file test852_2.png gave hash 2055763177U not the expected 967452082U
159: ----------------
159: ----------------
159: ----------------
159: ----------------
159: Done
159: ----------------- Test Github860: Atom symbols in wrong order if bond comes from right
159: file test860_1.png gave hash 257586724U not the expected 2835587240U
159: file test860_2.png gave hash 2456030180U not the expected 1116015475U
159: file test860_3.png gave hash 1098011815U not the expected 1872467868U
159: Done
159: ----------------- Test Github #910: ugly coordinates generated for peptide chains
159: Done
159: ----------------- Test Github #932: mistake in SVG for wedged bonds
159: Done
159: ----------------- Test Github #953: default color should not be cyan
159: Done
159: ----------------- Test Github #983: wedged bonds between chiral centers drawn improperly
159: Done
159: ----------------- Test Deuterium, Tritium
159: Done
159: ----------------- Test crossed bonds
159: Done
159: ----------------- Testing drawing a second molecule
159: Done
159: ----------------- Testing drawing a grid of molecules
159: Done
159: ----------------- Testing drawMolecules
159: file test12_1.svg gave hash 76786371U not the expected 826649652U
159: Done
159: ----------------- Test JSON Configuration
159: Done
159: ----------------- Testing github 1090: escape html characters in SVG output
159: Done
159: ----------------- Testing github 1035: overflow bug in SVG color generation
159: Done
159: ----------------- Testing github 1271: MolDraw2D not drawing anything for molecules aligned with the X or Y axes
159: Done
159: ----------------- Testing github 1322: add custom atom labels
159: Done
159: ----------------- Testing use of a black & white palette
159: Done
159: ----------------- Testing use of continuous highlighting with drawMolecules
159: Done
159: ----------------- Test 17 - Testing maximum font size
159: Done
159: ----------------- Testing github 1829: crash when drawMolecules() is called with an empty list
159: Done
159: ----------------- Testing use of fixed scales for drawing.
159: Done
159: ----------------- Testing rotation of 2D drawing.
159: Done
159: ----------------- Testing inclusion of molecule metadata
159: Done
159: ----------------- Testing Github2063: Drawing racemic bond stereo as crossed bonds should be the default
159: Done
159: ----------------- Testing Github2151: MolDraw2D: line width should be controlled by MolDrawOptions
159: file testGithub2151_1.svg gave hash 255849476U not the expected 4119581143U
159: file testGithub2151_2.svg gave hash 1195866900U not the expected 425960913U
159: Done
159: ----------------- Testing testGithub2762: MolDraw2D: HCl and ethane should be drawn
159: Done
159: ----------------- Testing testGithub2931: multi-coloured molecule highlights.
159: file testGithub2931_1.svg gave hash 608211058U not the expected 3635831631U
159: file testGithub2931_3.svg gave hash 1702246706U not the expected 2885834646U
159: Done
159: ----------------- Testing annotation of 2D Drawing.
159: file test20_1.png gave hash 603582571U not the expected 200877868U
159: file test20_2.png gave hash 1242566434U not the expected 1651164846U
159: file test20_3.png gave hash 2691880468U not the expected 1463603076U
159: file test20_4.png gave hash 1109699693U not the expected 1714613205U
159: Done
159: ----------------- Test 21 - different font
159: Done
159: ----------------- Test 22 - draw explicit methyls.
159: Done
159: ----------------- Testing drawing of legends.
159: Done
159: ----------------- Test Github 3305 - change and scale line widths.
159: file testGithub3305_1.png gave hash 4150888292U not the expected 3303791649U
159: file testGithub3305_2.png gave hash 646602948U not the expected 4003267433U
159: file testGithub3305_3.png gave hash 1486625920U not the expected 273338209U
159: file testGithub3305_4.png gave hash 2409343939U not the expected 3842605920U
159: file testGithub3305_4.svg gave hash 3625812711U not the expected 300865579U
159: file testGithub3305_5.png gave hash 1913144252U not the expected 151279576U
159: file testGithub3305_5.svg gave hash 3310590632U not the expected 1335449325U
159: file testGithub3305_6.png gave hash 1919875297U not the expected 613418460U
159: file testGithub3305_7.png gave hash 3442727171U not the expected 2835747678U
159: Done
159: ----------------- Test Github 3391 - maxFontSize interacting badly with DrawMolecules.
159: Done
159: ----------------- Test Github 4156 - bad scale for radicals in grid
159: Done
159: ----------------- Test JSON atomColourPalette
159: Done
159: ----------------- Test draw aromatic OR queries
159: Done
159: ----------------- Test AND queries
159: Done
161/235 Test #159: moldraw2DTest1 ......................... Passed 6.33 sec
test 173
Start 173: testSynthonSpaceSubstructureSearch
173: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch
173: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SynthonSpaceSearch
173: Test timeout computed to be: 1500
172: ....
172: ----------------------------------------------------------------------
172: Ran 14 tests in 1.290s
172:
172: OK
162/235 Test #172: pyRascalMCES ........................... Passed 1.62 sec
test 174
Start 174: testCIPLabeler
174: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler
174: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler
174: Test timeout computed to be: 1500
174: Randomness seeded to: 3857459839
174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
174: [00:53:22] non kekulizable aromatic bond being treated as bond order 1
174: [00:53:22] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
174: [00:53:22] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
174: ===============================================================================
174: All tests passed (6577 assertions in 19 test cases)
174:
163/235 Test #174: testCIPLabeler ......................... Passed 0.22 sec
test 175
Start 175: pyCIPLabelsWrapTest
175: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py"
175: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
175: Test timeout computed to be: 1500
173: Randomness seeded to: 1339293306
173: [00:53:22] Writing the enumerated file may take quite some time and result in a large file.
175: ....
175: ----------------------------------------------------------------------
175: Ran 4 tests in 0.009s
175:
175: OK
164/235 Test #175: pyCIPLabelsWrapTest .................... Passed 0.35 sec
test 176
Start 176: pyCIPLabelsValidation
176: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py"
176: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
176: Test timeout computed to be: 1500
171: Randomness seeded to: 343535041
171: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/data/chembl_1907596.smi
152: .............[00:53:24] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:24] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:25] Molecule does not have explicit Hs. Consider calling AddHs()
173: [00:53:26] Building the fingerprints may take some time.
152: ...[00:53:26] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:26] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:26] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:26] Molecule does not have explicit Hs. Consider calling AddHs()
152: [00:53:26] Molecule does not have explicit Hs. Consider calling AddHs()
152: ...
152: ----------------------------------------------------------------------
152: Ran 19 tests in 11.665s
152:
152: OK
152: Testing MolAlign Wrappers
165/235 Test #152: pyMolAlign ............................. Passed 11.96 sec
test 177
Start 177: deprotectTest
177: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/deprotectTest
177: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect
177: Test timeout computed to be: 1500
177: Randomness seeded to: 2181031911
177: ===============================================================================
177: All tests passed (111 assertions in 3 test cases)
177:
166/235 Test #177: deprotectTest .......................... Passed 0.05 sec
test 178
Start 178: pyDeprotect
178: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/rough_test.py"
178: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap
178: Test timeout computed to be: 1500
178: .....
178: ----------------------------------------------------------------------
178: Ran 5 tests in 0.022s
178:
178: OK
178: Testing tert-butyldimethylsilyl
178: Testing methoxytrityl
178: Testing tetrahydropyranyl
178: Testing methoxymethyl_ether
178: Testing beta-Methoxyethoxymethyl_ether
178: Testing benzyl
178: Testing trimethylsilyl
178: Testing benzoyl
178: Testing pivaloyl
178: Testing triisopropylsilyl
178: Testing acetyl
178: Testing para-methoxybenzyl_ether
178: Testing triphenylmethyl
178: Testing phthaloyl
178: Testing trimethylsilylethoxymethyl
178: Testing para-methoxyphenyl
178: Testing tosyl
178: Testing tert-butyloxycarbonyl
178: Testing trifluoroacetyl
178: Testing benzoyl
178: Testing 9-fluorenylmethyloxycarbonyl
178: Testing benzylamine
178: Testing acetamide
178: Testing carbobenzyloxy
178: Testing Acetal/Ketal
178: Testing tert-butyldimethylsilyl
178: Testing methoxytrityl
178: Testing tetrahydropyranyl
178: Testing methoxymethyl_ether
178: Testing beta-Methoxyethoxymethyl_ether
178: Testing benzyl
178: Testing trimethylsilyl
178: Testing benzoyl
178: Testing pivaloyl
178: Testing triisopropylsilyl
178: Testing acetyl
178: Testing para-methoxybenzyl_ether
178: Testing triphenylmethyl
178: Testing phthaloyl
178: Testing trimethylsilylethoxymethyl
178: Testing para-methoxyphenyl
178: Testing tosyl
178: Testing tert-butyloxycarbonyl
178: Testing trifluoroacetyl
178: Testing benzoyl
178: Testing 9-fluorenylmethyloxycarbonyl
178: Testing benzylamine
178: Testing acetamide
178: Testing carbobenzyloxy
178: Testing Acetal/Ketal
167/235 Test #178: pyDeprotect ............................ Passed 0.24 sec
test 179
Start 179: testReducedGraphs
179: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/testReducedGraphs
179: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs
179: Test timeout computed to be: 1500
179: 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, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, ]
179:
179: Size: 315 [ 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, 0.3, 1, 0.3, 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, 1, 0.3, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, ]
179:
179: 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, 0.6, 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, 0.3, 1, 0.6, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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, ]
179:
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179:
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179:
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179:
179: 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, 0.3, 1, 0.3, 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, 0.3, 1, 0.3, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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, ]
179:
179: 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, 0.3, 1, 0.3, 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, 0.3, 1, 0.3, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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, ]
179:
179: 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, 0.3, 1, 0.3, 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, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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, ]
179:
168/235 Test #179: testReducedGraphs ...................... Passed 0.04 sec
test 180
Start 180: pyReducedGraphs
180: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py"
180: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap
180: Test timeout computed to be: 1500
180: .....
180: ----------------------------------------------------------------------
180: Ran 5 tests in 0.008s
180:
180: OK
169/235 Test #180: pyReducedGraphs ........................ Passed 0.27 sec
test 181
Start 181: trajectoryTest
181: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory/trajectoryTest
181: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory
181: Test timeout computed to be: 1500
170/235 Test #181: trajectoryTest ......................... Passed 0.17 sec
test 182
Start 182: substructLibraryTest
182: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest
182: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary
182: Test timeout computed to be: 1500
182: [00:53:27] -------------------------------------
182: [00:53:27] Test1
182: [00:53:28] done
182: [00:53:28] -------------------------------------
182: [00:53:28] Test2
182: [00:53:28] done
182: [00:53:28] -------------------------------------
182: [00:53:28] Test3 (stereo options)
182: [00:53:28] Done (stereo options)
182: [00:53:28] -------------------------------------
182: [00:53:28] Test4 (trusted smiles)
163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
163: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds
163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
163: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds
163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
163: MCS MatchStereo true : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
163: TOTAL Time elapsed 11.94 seconds
171/235 Test #163: testFMCS ............................... Passed 11.98 sec
test 183
Start 183: substructLibraryCatchTest
183: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest
183: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary
183: Test timeout computed to be: 1500
182: [00:53:28] Done (trusted smiles)
182: [00:53:28] -------------------------------------
182: [00:53:28] Testing C++ docs
182: [00:53:28] Done (C++ doc tests)
182: [00:53:28] -------------------------------------
182: [00:53:28] Testing C++ ring query: PatternHolder
182: [00:53:28] Done (C++ ring query tests)
182: [00:53:28] -------------------------------------
182: [00:53:28] Testing C++ ring query: TautomerPatternHolder
182: [00:53:28] Done (C++ ring query tests)
182: [00:53:28] -------------------------------------
182: [00:53:28] Add Patterns
148: .........[00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: .[00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: .[00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
148: [00:53:29] Molecule does not have explicit Hs. Consider calling AddHs()
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176: VS184: PASSED
176: VS185: PASSED
176: VS186: PASSED
176: VS187: PASSED
176: VS188: PASSED
176: VS189: PASSED
176: VS190: PASSED
176: VS191: PASSED
176: VS192: PASSED
176: VS193: PASSED
176: VS194: PASSED
176: VS195: PASSED
176: VS196: PASSED
176: VS197: PASSED
176: VS198: PASSED
176: VS199: PASSED
176: VS200: PASSED
176: VS201: PASSED
176: VS202: PASSED
176: VS203: PASSED
176: VS204: PASSED
176: VS205: PASSED
176: VS206: PASSED
176: VS207: PASSED
176: VS208: PASSED
176: VS209: PASSED
176: VS210: PASSED
176: VS211: PASSED
176: VS212: PASSED
176: VS213: PASSED
176: VS214: PASSED
176: VS215: PASSED
176: VS216: PASSED
176: VS217: PASSED
176: VS218: PASSED
176: VS219: PASSED
176: VS220: PASSED
176: VS221: PASSED
176: VS222: PASSED
176: VS223: PASSED
176: VS224: PASSED
176: VS225: PASSED
176: VS226: PASSED
176: VS227: PASSED
176: VS228: PASSED
176: VS229: PASSED
176: VS230: PASSED
176: VS231: PASSED
176: VS232: PASSED
176: VS233: PASSED
176: VS234: PASSED
176: VS235: PASSED
176: VS236: PASSED
176: VS237: PASSED
176: VS238: PASSED
176: VS239: PASSED
176: VS240: PASSED
176: VS241: PASSED
176: VS242: PASSED
176: VS243: PASSED
176: VS244: PASSED
176: VS245: PASSED
176: VS246: PASSED
176: VS247: PASSED
176: VS248: PASSED
176: VS249: PASSED
176: VS250: PASSED
176: VS251: PASSED
176: VS252: PASSED
176: VS253: PASSED
176: VS254: PASSED
176: VS255: PASSED
176: VS256: PASSED
176: VS257: PASSED
176: VS258: PASSED
176: VS259: PASSED
176: VS260: PASSED
176: VS261: PASSED
176: VS262: PASSED
176: VS263: PASSED
176: VS264: PASSED
176: VS265: PASSED
176: VS266: PASSED
176: VS267: PASSED
176: VS268: PASSED
176: VS269: PASSED
176: VS270: PASSED
176: VS271: PASSED
176: VS272: PASSED
176: VS273: PASSED
176: VS274: PASSED
176: VS275: PASSED
176: VS276: PASSED
176: VS277: PASSED
176: VS278: PASSED
176: VS279: PASSED
176: VS280: PASSED
176: VS281: PASSED
176: VS282: PASSED
176: VS283: PASSED
176: VS284: PASSED
176: VS285: PASSED
176: VS286: PASSED
176: VS287: PASSED
176: VS288: PASSED
176: VS289: PASSED
176: VS290: PASSED
176: VS291: PASSED
176: VS292: PASSED
176: VS293: PASSED
176: VS294: PASSED
176: VS295: PASSED
176: VS296: PASSED
176: VS297: PASSED
176: VS298: PASSED
176: VS299: PASSED
176: VS300: PASSED
176: Check finished: 0 molecules failed.
176: Failed:
172/235 Test #176: pyCIPLabelsValidation .................. Passed 6.03 sec
test 184
Start 184: pySubstructLibrary
184: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py"
184: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap
184: Test timeout computed to be: 1500
170: Randomness seeded to: 4168701101
170: [00:53:29] Timed out after 11 seconds.
183: Randomness seeded to: 416130231
183: ===============================================================================
183: All tests passed (171 assertions in 5 test cases)
183:
173/235 Test #183: substructLibraryCatchTest .............. Passed 1.27 sec
test 185
Start 185: testRGroupDecomp
185: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecomp
185: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition
185: Test timeout computed to be: 1500
185: [00:53:30] Non terminal R group defined. To allow set allowNonTerminalRGroups in RGroupDecompositionParameters
185: [00:53:30] WARNING: not removing hydrogen atom with dummy atom neighbors
148: ...
148: ----------------------------------------------------------------------
148: Ran 22 tests in 16.519s
148:
148: OK
174/235 Test #148: pyDistGeomHelpers ...................... Passed 16.90 sec
test 186
Start 186: testRGroupDecompInternals
186: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals
186: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition
186: Test timeout computed to be: 1500
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
186: [00:53:31] WARNING: not removing hydrogen atom with dummy atom neighbors
175/235 Test #186: testRGroupDecompInternals .............. Passed 0.04 sec
test 187
Start 187: rgroupCatchTests
187: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/rgroupCatchTests
187: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition
187: Test timeout computed to be: 1500
173: Query 0
187: Randomness seeded to: 741502749
187: ===============================================================================
187: All tests passed (1475 assertions in 14 test cases)
187:
176/235 Test #187: rgroupCatchTests ....................... Passed 0.39 sec
test 188
Start 188: pyRGroupDecomposition
188: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py"
188: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap
188: Test timeout computed to be: 1500
150: ---------------------------------
150: test O3A multithreading bug
150:
150: ---------------------------------
150: testCrippenO3A multithreading
150:
150: generating reference data
185: iterative
150: processing
150: launch :0
150: launch :1
150: launch :2
150: launch :3
185: bulk
182: [00:53:33] -------------------------------------
182: [00:53:33] testing PatternHolder
182: [00:53:33] -------------------------------------
182: [00:53:33] testing TautomerPatternHolder
173: Query 1
182: [00:53:33] -------------------------------------
182: [00:53:33] testSegFaultInHolder
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] [00:53:33] [00:53:33] SMILES Parse Error: syntax errorSMILES Parse Error: dsafsdf
182: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
188: ....................
188: ----------------------------------------------------------------------
188: Ran 20 tests in 1.524s
188:
188: OK
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] [00:53:33] [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: ^
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] [00:53:33] [00:53:33] SMILES Parse Error: syntax error while parsing: SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] SMILES Parse Error: syntax error while parsing: dsafsdf
182: [00:53:33] SMILES Parse Error: check for mistakes around position 1:
182: [00:53:33] dsafsdf
182: [00:53:33] ^
182: [00:53:33] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
182: [00:53:33] -------------------------------------
182: [00:53:33] Results do not depend on numThreads
177/235 Test #188: pyRGroupDecomposition .................. Passed 2.32 sec
test 189
Start 189: molInterchangeTest1
189: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeTest1
189: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange
189: Test timeout computed to be: 1500
189: [00:53:33] test1: basics
189: [00:53:33] done
189: [00:53:33] test2: basic writing
189: {"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":"2024.09.6","cipRanks":[0,0]}]}]}
189: {"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":"2024.09.6","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]}
189: {"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":"2024.09.6","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]]}]}]}
189: {"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":"2024.09.6","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]]}]}]}
189: [00:53:33] done
189: [00:53:33] test3: writing conformers
189: {"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":[[-1.1988,-0.0452],[-0.3332,0.4556],[0.166,1.322],[0.5332,-0.0438],[-2.0652,0.4542],[-0.834,1.3212]]},{"dim":3,"coords":[[0.9554,-0.3743,-0.4679],[-0.3616,-0.1311,-0.0795],[-0.5097,1.6256,0.1706],[-0.5779,-0.792,1.1042],[1.5277,0.1064,0.1628],[-1.0339,-0.4346,-0.8902]]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.6","values":[-0.352,0.273,-0.055,-0.198,0.215,0.117]}]}]}
189: [00:53:33] done
189: [00:53:33] test4: writing properties
189: {"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":"2024.09.6","cipRanks":[0,0]}]}]}
189: [00:53:33] done
189: [00:53:33] test5: writing partial charges
189: {"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":"2024.09.6","cipRanks":[0,1]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.6","values":[0.5,-0.5]}]}]}
189: [00:53:33] testing parse options
189: [00:53:33] done
189: [00:53:33] testing github #2046: CIPRank values from JSONDataToMols are not unsigned
189: {"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":"2024.09.6","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]}
189: [00:53:33] done
189: [00:53:33] testing 'either' stereochemistry
189: [00:53:33] done
178/235 Test #189: molInterchangeTest1 .................... Passed 0.04 sec
test 190
Start 190: molInterchangeCatchTest
190: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeCatchTest
190: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange
190: Test timeout computed to be: 1500
190: Randomness seeded to: 3545844335
190: [00:53:33] unrecognized bond type 12 set to zero while writing
190: [00:53:33] unrecognized bond type 0 set to zero while writing
190: ===============================================================================
190: All tests passed (125 assertions in 7 test cases)
190:
179/235 Test #190: molInterchangeCatchTest ................ Passed 0.04 sec
test 191
Start 191: pyMolInterchange
191: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py"
191: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap
191: Test timeout computed to be: 1500
33: [00:53:34] Finished
33: [00:53:34] -------------------------------------
33: [00:53:34] Test github1843: RWMol.clear() should not destroy ring pointer.
33: [00:53:34] Finished
33: [00:53:34] -------------------------------------
33: [00:53:34] Test Github 6370: non-physical radical counts being preserved
33: [00:53:34] Finished
180/235 Test #33: graphmolTest1 .......................... Passed 28.66 sec
test 192
Start 192: testSLNParse
192: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/testSLNParse
192: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse
192: Test timeout computed to be: 1500
192: Atoms:
192: 0 6 C chg: 1 deg: 5 exp: N/A imp: 0 hyb:
192: 1 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb:
192: 2 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb:
192: 3 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb:
192: 4 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb:
192: 5 1 H chg: 0 deg: 1 exp: N/A imp: N/A hyb:
192: Bonds:
192: 0 0->1 order: 1
192: 1 0->2 order: 1
192: 2 0->3 order: 1
192: 3 0->4 order: 1
192: 4 0->5 order: 1
192: [00:53:34] SLN Parse Error: syntax error while parsing: CH4[I=13]
192: [00:53:34] Failed parsing SLN 'CH4[I=13]'
192: [00:53:34] SLN Parser error: Atom ID 1 appears *after* its ring closure.
192: [00:53:34] SLN Parser error: Ring closure 1 does not have a corresponding opener.
192: [00:53:34] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2)
192: [00:53:34] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)'
192: [00:53:34] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1)
192: [00:53:34] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)'
192: [00:53:34] SLN Parse Error: syntax error while parsing: CH4 fff
192: [00:53:34] Failed parsing SLN 'CH4 fff'
192: [00:53:34] SLN Parse Error: syntax error while parsing: C[charge=+1] foo
192: [00:53:34] Failed parsing SLN 'C[charge=+1] foo'
192: [00:53:34] Query property 'is' ignored on non-query atom
192: [00:53:34] Query property 'is' ignored on non-query atom
181/235 Test #192: testSLNParse ........................... Passed 0.03 sec
test 193
Start 193: pySLNParse
193: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/Wrap/testSLN.py"
193: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap
193: Test timeout computed to be: 1500
191: ..
191: ----------------------------------------------------------------------
191: Ran 2 tests in 0.015s
191:
191: OK
182/235 Test #191: pyMolInterchange ....................... Passed 0.51 sec
test 194
Start 194: pyGraphMolWrap
194: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rough_test.py"
194: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
194: Test timeout computed to be: 1500
193: ..
193: ----------------------------------------------------------------------
193: Ran 2 tests in 0.008s
193:
193: OK
183/235 Test #193: pySLNParse ............................. Passed 0.24 sec
test 195
Start 195: pyTestConformerWrap
195: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testConformer.py"
195: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
195: Test timeout computed to be: 1500
195: ......
195: ----------------------------------------------------------------------
195: Ran 6 tests in 0.008s
195:
195: OK
184/235 Test #195: pyTestConformerWrap .................... Passed 0.20 sec
test 196
Start 196: pyTestTrajectory
196: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testTrajectory.py"
196: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
196: Test timeout computed to be: 1500
196: [00:53:34]
196:
196: ****
196: Pre-condition Violation
196: from must be < size()
196: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: from < static_cast<int>(size())
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::Trajectory::*)(RDKit::ROMol&, int, int), boost::python::default_call_policies, boost::mpl::vector5<unsigned int, RDKit::Trajectory&, RDKit::ROMol&, int, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# _PyObject_MakeTpCall in /usr/bin/python3
196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 24# 0x0000000000531670 in /usr/bin/python3
196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 26# 0x00000000004AB0F4 in /usr/bin/python3
196: 27# 0x0000000000662B58 in /usr/bin/python3
196: 28# _PyObject_MakeTpCall in /usr/bin/python3
196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 30# 0x0000000000531670 in /usr/bin/python3
196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 32# 0x00000000004AB0F4 in /usr/bin/python3
196: 33# 0x0000000000662B58 in /usr/bin/python3
196: 34# _PyObject_MakeTpCall in /usr/bin/python3
196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 36# 0x0000000000531670 in /usr/bin/python3
196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 38# 0x00000000004AB0F4 in /usr/bin/python3
196: 39# 0x0000000000662B58 in /usr/bin/python3
196: 40# _PyObject_MakeTpCall in /usr/bin/python3
196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 42# 0x0000000000503430 in /usr/bin/python3
196: 43# _PyObject_MakeTpCall in /usr/bin/python3
196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 45# PyEval_EvalCode in /usr/bin/python3
196: 46# 0x00000000005FD91C in /usr/bin/python3
196: 47# 0x00000000005F7E70 in /usr/bin/python3
196: 48# 0x00000000006258F0 in /usr/bin/python3
196: 49# 0x0000000000625034 in /usr/bin/python3
196: 50# 0x0000000000624DCC in /usr/bin/python3
196: 51# Py_RunMain in /usr/bin/python3
196: 52# Py_BytesMain in /usr/bin/python3
196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 55# _start in /usr/bin/python3
196: ----------
196: ****
196:
196: .[00:53:34]
196:
196: ****
196: Pre-condition Violation
196: from must be < size()
196: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: from < static_cast<int>(size())
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::Trajectory::*)(RDKit::ROMol&, int, int), boost::python::default_call_policies, boost::mpl::vector5<unsigned int, RDKit::Trajectory&, RDKit::ROMol&, int, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# _PyObject_MakeTpCall in /usr/bin/python3
196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 24# 0x0000000000531670 in /usr/bin/python3
196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 26# 0x00000000004AB0F4 in /usr/bin/python3
196: 27# 0x0000000000662B58 in /usr/bin/python3
196: 28# _PyObject_MakeTpCall in /usr/bin/python3
196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 30# 0x0000000000531670 in /usr/bin/python3
196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 32# 0x00000000004AB0F4 in /usr/bin/python3
196: 33# 0x0000000000662B58 in /usr/bin/python3
196: 34# _PyObject_MakeTpCall in /usr/bin/python3
196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 36# 0x0000000000531670 in /usr/bin/python3
196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 38# 0x00000000004AB0F4 in /usr/bin/python3
196: 39# 0x0000000000662B58 in /usr/bin/python3
196: 40# _PyObject_MakeTpCall in /usr/bin/python3
196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 42# 0x0000000000503430 in /usr/bin/python3
196: 43# _PyObject_MakeTpCall in /usr/bin/python3
196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 45# PyEval_EvalCode in /usr/bin/python3
196: 46# 0x00000000005FD91C in /usr/bin/python3
196: 47# 0x00000000005F7E70 in /usr/bin/python3
196: 48# 0x00000000006258F0 in /usr/bin/python3
196: 49# 0x0000000000625034 in /usr/bin/python3
196: 50# 0x0000000000624DCC in /usr/bin/python3
196: 51# Py_RunMain in /usr/bin/python3
196: 52# Py_BytesMain in /usr/bin/python3
196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 55# _start in /usr/bin/python3
196: ----------
196: ****
196:
194: ..............[00:53:35] SMARTS Parse Error: syntax error while parsing: fiib
194: [00:53:35] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib'
194: ....[00:53:35] ERROR: Problems encountered parsing data fields
194: [00:53:35] ERROR: moving to the beginning of the next molecule
194: [00:53:35] ERROR: Problems encountered parsing data fields
194: [00:53:35] ERROR: moving to the beginning of the next molecule
194: [00:53:35] Spurious data before the first property will be ignored
194: [00:53:35] Property <ID> will be truncated after the first blank line
194: [00:53:35] Property <ID> will be truncated after the first blank line
194: [00:53:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
194: [00:53:35] ERROR: Problems encountered parsing data fields
194: [00:53:35] ERROR: moving to the beginning of the next molecule
194: [00:53:35] ERROR: Problems encountered parsing data fields
194: [00:53:35] ERROR: moving to the beginning of the next molecule
194: [00:53:35] Spurious data before the first property will be ignored
194: [00:53:35] Property <ID> will be truncated after the first blank line
194: [00:53:35] Property <ID> will be truncated after the first blank line
194: [00:53:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
194: [00:53:35] ERROR: Problems encountered parsing data fields
194: [00:53:35] ERROR: moving to the beginning of the next molecule
194: [00:53:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
194: [00:53:35] ERROR: Problems encountered parsing data fields
194: [00:53:35] ERROR: moving to the beginning of the next molecule
194: [00:53:35] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
196: .[00:53:35]
196:
196: ****
196: Range Error
196: snapshotNum
196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: 0 < 0
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 23# _PyObject_MakeTpCall in /usr/bin/python3
196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 25# 0x0000000000531670 in /usr/bin/python3
196: 26# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 27# 0x00000000004AB0F4 in /usr/bin/python3
196: 28# 0x0000000000662B58 in /usr/bin/python3
196: 29# _PyObject_MakeTpCall in /usr/bin/python3
196: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 31# 0x0000000000531670 in /usr/bin/python3
196: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 33# 0x00000000004AB0F4 in /usr/bin/python3
196: 34# 0x0000000000662B58 in /usr/bin/python3
196: 35# _PyObject_MakeTpCall in /usr/bin/python3
196: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 37# 0x0000000000531670 in /usr/bin/python3
196: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 39# 0x00000000004AB0F4 in /usr/bin/python3
196: 40# 0x0000000000662B58 in /usr/bin/python3
196: 41# _PyObject_MakeTpCall in /usr/bin/python3
196: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 43# 0x0000000000503430 in /usr/bin/python3
196: 44# _PyObject_MakeTpCall in /usr/bin/python3
196: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 46# PyEval_EvalCode in /usr/bin/python3
196: 47# 0x00000000005FD91C in /usr/bin/python3
196: 48# 0x00000000005F7E70 in /usr/bin/python3
196: 49# 0x00000000006258F0 in /usr/bin/python3
196: 50# 0x0000000000625034 in /usr/bin/python3
196: 51# 0x0000000000624DCC in /usr/bin/python3
196: 52# Py_RunMain in /usr/bin/python3
196: 53# Py_BytesMain in /usr/bin/python3
196: 54# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 56# _start in /usr/bin/python3
196: ----------
196: ****
196:
196: .[00:53:35]
196:
196: ****
196: Pre-condition Violation
196: The trajectory must have dimension == 3
196: Violation occurred on line 113 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: traj.dimension() == 3
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::readAmberTrajectory(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (*)(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3<unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# _PyObject_MakeTpCall in /usr/bin/python3
196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 24# 0x0000000000531670 in /usr/bin/python3
196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 26# 0x00000000004AB0F4 in /usr/bin/python3
196: 27# 0x0000000000662B58 in /usr/bin/python3
196: 28# _PyObject_MakeTpCall in /usr/bin/python3
196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 30# 0x0000000000531670 in /usr/bin/python3
196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 32# 0x00000000004AB0F4 in /usr/bin/python3
196: 33# 0x0000000000662B58 in /usr/bin/python3
196: 34# _PyObject_MakeTpCall in /usr/bin/python3
196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 36# 0x0000000000531670 in /usr/bin/python3
196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 38# 0x00000000004AB0F4 in /usr/bin/python3
196: 39# 0x0000000000662B58 in /usr/bin/python3
196: 40# _PyObject_MakeTpCall in /usr/bin/python3
196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 42# 0x0000000000503430 in /usr/bin/python3
196: 43# _PyObject_MakeTpCall in /usr/bin/python3
196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 45# PyEval_EvalCode in /usr/bin/python3
196: 46# 0x00000000005FD91C in /usr/bin/python3
196: 47# 0x00000000005F7E70 in /usr/bin/python3
196: 48# 0x00000000006258F0 in /usr/bin/python3
196: 49# 0x0000000000625034 in /usr/bin/python3
196: 50# 0x0000000000624DCC in /usr/bin/python3
196: 51# Py_RunMain in /usr/bin/python3
196: 52# Py_BytesMain in /usr/bin/python3
196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 55# _start in /usr/bin/python3
196: ----------
196: ****
196:
194: .[00:53:35] SMILES Parse Error: syntax error while parsing: fail
194: [00:53:35] SMILES Parse Error: check for mistakes around position 1:
194: [00:53:35] fail
194: [00:53:35] ^
194: [00:53:35] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
194: [00:53:35] ERROR: Smiles parse error on line 2
194: [00:53:35] ERROR: Cannot create molecule from : 'fail'
194: >>> This may result in an infinite loop. It should finish almost instantly
194: <<< OK, it finished.
196: ..[00:53:35]
196:
196: ****
196: Pre-condition Violation
196: The trajectory must have dimension == 3
196: Violation occurred on line 154 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: traj.dimension() == 3
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::readGromosTrajectory(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (*)(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3<unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# _PyObject_MakeTpCall in /usr/bin/python3
196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 24# 0x0000000000531670 in /usr/bin/python3
196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 26# 0x00000000004AB0F4 in /usr/bin/python3
196: 27# 0x0000000000662B58 in /usr/bin/python3
196: 28# _PyObject_MakeTpCall in /usr/bin/python3
196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 30# 0x0000000000531670 in /usr/bin/python3
196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 32# 0x00000000004AB0F4 in /usr/bin/python3
196: 33# 0x0000000000662B58 in /usr/bin/python3
196: 34# _PyObject_MakeTpCall in /usr/bin/python3
196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 36# 0x0000000000531670 in /usr/bin/python3
196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 38# 0x00000000004AB0F4 in /usr/bin/python3
196: 39# 0x0000000000662B58 in /usr/bin/python3
196: 40# _PyObject_MakeTpCall in /usr/bin/python3
196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 42# 0x0000000000503430 in /usr/bin/python3
196: 43# _PyObject_MakeTpCall in /usr/bin/python3
196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 45# PyEval_EvalCode in /usr/bin/python3
196: 46# 0x00000000005FD91C in /usr/bin/python3
196: 47# 0x00000000005F7E70 in /usr/bin/python3
196: 48# 0x00000000006258F0 in /usr/bin/python3
196: 49# 0x0000000000625034 in /usr/bin/python3
196: 50# 0x0000000000624DCC in /usr/bin/python3
196: 51# Py_RunMain in /usr/bin/python3
196: 52# Py_BytesMain in /usr/bin/python3
196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 55# _start in /usr/bin/python3
196: ----------
196: ****
196:
196: .[00:53:35]
196:
196: ****
196: Pre-condition Violation
196: d_pos must not be NULL
196: Violation occurred on line 23 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: d_pos
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# _PyObject_MakeTpCall in /usr/bin/python3
196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 24# 0x0000000000531670 in /usr/bin/python3
196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 26# 0x00000000004AB0F4 in /usr/bin/python3
196: 27# 0x0000000000662B58 in /usr/bin/python3
196: 28# _PyObject_MakeTpCall in /usr/bin/python3
196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 30# 0x0000000000531670 in /usr/bin/python3
196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 32# 0x00000000004AB0F4 in /usr/bin/python3
196: 33# 0x0000000000662B58 in /usr/bin/python3
196: 34# _PyObject_MakeTpCall in /usr/bin/python3
196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 36# 0x0000000000531670 in /usr/bin/python3
196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 38# 0x00000000004AB0F4 in /usr/bin/python3
196: 39# 0x0000000000662B58 in /usr/bin/python3
196: 40# _PyObject_MakeTpCall in /usr/bin/python3
196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 42# 0x0000000000503430 in /usr/bin/python3
196: 43# _PyObject_MakeTpCall in /usr/bin/python3
196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 45# PyEval_EvalCode in /usr/bin/python3
196: 46# 0x00000000005FD91C in /usr/bin/python3
196: 47# 0x00000000005F7E70 in /usr/bin/python3
196: 48# 0x00000000006258F0 in /usr/bin/python3
196: 49# 0x0000000000625034 in /usr/bin/python3
196: 50# 0x0000000000624DCC in /usr/bin/python3
196: 51# Py_RunMain in /usr/bin/python3
196: 52# Py_BytesMain in /usr/bin/python3
196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 55# _start in /usr/bin/python3
196: ----------
196: ****
196:
196: [00:53:35]
196:
196: ****
196: Pre-condition Violation
196: d_trajectory must not be NULL
196: Violation occurred on line 24 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: d_trajectory
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# _PyObject_MakeTpCall in /usr/bin/python3
196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 24# 0x0000000000531670 in /usr/bin/python3
196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 26# 0x00000000004AB0F4 in /usr/bin/python3
196: 27# 0x0000000000662B58 in /usr/bin/python3
196: 28# _PyObject_MakeTpCall in /usr/bin/python3
196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 30# 0x0000000000531670 in /usr/bin/python3
196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 32# 0x00000000004AB0F4 in /usr/bin/python3
196: 33# 0x0000000000662B58 in /usr/bin/python3
196: 34# _PyObject_MakeTpCall in /usr/bin/python3
196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 36# 0x0000000000531670 in /usr/bin/python3
196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 38# 0x00000000004AB0F4 in /usr/bin/python3
196: 39# 0x0000000000662B58 in /usr/bin/python3
196: 40# _PyObject_MakeTpCall in /usr/bin/python3
196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 42# 0x0000000000503430 in /usr/bin/python3
196: 43# _PyObject_MakeTpCall in /usr/bin/python3
196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 45# PyEval_EvalCode in /usr/bin/python3
196: 46# 0x00000000005FD91C in /usr/bin/python3
196: 47# 0x00000000005F7E70 in /usr/bin/python3
196: 48# 0x00000000006258F0 in /usr/bin/python3
196: 49# 0x0000000000625034 in /usr/bin/python3
196: 50# 0x0000000000624DCC in /usr/bin/python3
196: 51# Py_RunMain in /usr/bin/python3
196: 52# Py_BytesMain in /usr/bin/python3
196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 55# _start in /usr/bin/python3
196: ----------
196: ****
196:
196: .[00:53:35]
196:
196: ****
196: Range Error
196: snapshotNum
196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: 5 < 5
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 23# _PyObject_MakeTpCall in /usr/bin/python3
196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 25# 0x0000000000531670 in /usr/bin/python3
196: 26# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 27# 0x00000000004AB0F4 in /usr/bin/python3
196: 28# 0x0000000000662B58 in /usr/bin/python3
196: 29# _PyObject_MakeTpCall in /usr/bin/python3
196: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 31# 0x0000000000531670 in /usr/bin/python3
196: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 33# 0x00000000004AB0F4 in /usr/bin/python3
196: 34# 0x0000000000662B58 in /usr/bin/python3
196: 35# _PyObject_MakeTpCall in /usr/bin/python3
196: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 37# 0x0000000000531670 in /usr/bin/python3
196: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 39# 0x00000000004AB0F4 in /usr/bin/python3
196: 40# 0x0000000000662B58 in /usr/bin/python3
196: 41# _PyObject_MakeTpCall in /usr/bin/python3
196: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 43# 0x0000000000503430 in /usr/bin/python3
196: 44# _PyObject_MakeTpCall in /usr/bin/python3
196: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 46# PyEval_EvalCode in /usr/bin/python3
196: 47# 0x00000000005FD91C in /usr/bin/python3
196: 48# 0x00000000005F7E70 in /usr/bin/python3
196: 49# 0x00000000006258F0 in /usr/bin/python3
196: 50# 0x0000000000625034 in /usr/bin/python3
196: 51# 0x0000000000624DCC in /usr/bin/python3
196: 52# Py_RunMain in /usr/bin/python3
196: 53# Py_BytesMain in /usr/bin/python3
196: 54# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 56# _start in /usr/bin/python3
196: ----------
196: ****
196:
196: [00:53:35]
196:
196: ****
196: Range Error
196: pointNum
196: Violation occurred on line 27 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: 10 < 10
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# _PyObject_MakeTpCall in /usr/bin/python3
196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 24# 0x0000000000531670 in /usr/bin/python3
196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 26# 0x00000000004AB0F4 in /usr/bin/python3
196: 27# 0x0000000000662B58 in /usr/bin/python3
196: 28# _PyObject_MakeTpCall in /usr/bin/python3
196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 30# 0x0000000000531670 in /usr/bin/python3
196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 32# 0x00000000004AB0F4 in /usr/bin/python3
196: 33# 0x0000000000662B58 in /usr/bin/python3
196: 34# _PyObject_MakeTpCall in /usr/bin/python3
196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 36# 0x0000000000531670 in /usr/bin/python3
196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 38# 0x00000000004AB0F4 in /usr/bin/python3
196: 39# 0x0000000000662B58 in /usr/bin/python3
196: 40# _PyObject_MakeTpCall in /usr/bin/python3
196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 42# 0x0000000000503430 in /usr/bin/python3
196: 43# _PyObject_MakeTpCall in /usr/bin/python3
196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 45# PyEval_EvalCode in /usr/bin/python3
196: 46# 0x00000000005FD91C in /usr/bin/python3
196: 47# 0x00000000005F7E70 in /usr/bin/python3
196: 48# 0x00000000006258F0 in /usr/bin/python3
196: 49# 0x0000000000625034 in /usr/bin/python3
196: 50# 0x0000000000624DCC in /usr/bin/python3
196: 51# Py_RunMain in /usr/bin/python3
196: 52# Py_BytesMain in /usr/bin/python3
196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 55# _start in /usr/bin/python3
196: ----------
196: ****
196:
196: .[00:53:35]
196:
196: ****
196: Range Error
196: snapshotNum
196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: 5 < 5
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 23# _PyObject_MakeTpCall in /usr/bin/python3
196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 25# 0x0000000000531670 in /usr/bin/python3
196: 26# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 27# 0x00000000004AB0F4 in /usr/bin/python3
196: 28# 0x0000000000662B58 in /usr/bin/python3
196: 29# _PyObject_MakeTpCall in /usr/bin/python3
196: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 31# 0x0000000000531670 in /usr/bin/python3
196: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 33# 0x00000000004AB0F4 in /usr/bin/python3
196: 34# 0x0000000000662B58 in /usr/bin/python3
196: 35# _PyObject_MakeTpCall in /usr/bin/python3
196: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 37# 0x0000000000531670 in /usr/bin/python3
196: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 39# 0x00000000004AB0F4 in /usr/bin/python3
196: 40# 0x0000000000662B58 in /usr/bin/python3
196: 41# _PyObject_MakeTpCall in /usr/bin/python3
196: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 43# 0x0000000000503430 in /usr/bin/python3
196: 44# _PyObject_MakeTpCall in /usr/bin/python3
196: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 46# PyEval_EvalCode in /usr/bin/python3
196: 47# 0x00000000005FD91C in /usr/bin/python3
196: 48# 0x00000000005F7E70 in /usr/bin/python3
196: 49# 0x00000000006258F0 in /usr/bin/python3
196: 50# 0x0000000000625034 in /usr/bin/python3
196: 51# 0x0000000000624DCC in /usr/bin/python3
196: 52# Py_RunMain in /usr/bin/python3
196: 53# Py_BytesMain in /usr/bin/python3
196: 54# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 55# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 56# _start in /usr/bin/python3
196: ----------
196: ****
196:
196: [00:53:35]
196:
196: ****
196: Pre-condition Violation
196: d_dimension must be == 2
196: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: d_trajectory->dimension() == 2
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# _PyObject_MakeTpCall in /usr/bin/python3
196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 24# 0x0000000000531670 in /usr/bin/python3
196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 26# 0x00000000004AB0F4 in /usr/bin/python3
196: 27# 0x0000000000662B58 in /usr/bin/python3
196: 28# _PyObject_MakeTpCall in /usr/bin/python3
196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 30# 0x0000000000531670 in /usr/bin/python3
196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 32# 0x00000000004AB0F4 in /usr/bin/python3
196: 33# 0x0000000000662B58 in /usr/bin/python3
196: 34# _PyObject_MakeTpCall in /usr/bin/python3
196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 36# 0x0000000000531670 in /usr/bin/python3
196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 38# 0x00000000004AB0F4 in /usr/bin/python3
196: 39# 0x0000000000662B58 in /usr/bin/python3
196: 40# _PyObject_MakeTpCall in /usr/bin/python3
196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 42# 0x0000000000503430 in /usr/bin/python3
196: 43# _PyObject_MakeTpCall in /usr/bin/python3
196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 45# PyEval_EvalCode in /usr/bin/python3
196: 46# 0x00000000005FD91C in /usr/bin/python3
196: 47# 0x00000000005F7E70 in /usr/bin/python3
196: 48# 0x00000000006258F0 in /usr/bin/python3
196: 49# 0x0000000000625034 in /usr/bin/python3
196: 50# 0x0000000000624DCC in /usr/bin/python3
196: 51# Py_RunMain in /usr/bin/python3
196: 52# Py_BytesMain in /usr/bin/python3
196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 55# _start in /usr/bin/python3
196: ----------
196: ****
196:
196: [00:53:35]
196:
196: ****
196: Pre-condition Violation
196: d_dimension must be == 2
196: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
196: Failed Expression: d_trajectory->dimension() == 2
196: ----------
196: Stacktrace:
196: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
196: 2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitTrajectory.so.1
196: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdtrajectory.so
196: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 5# 0x0000FFFF93472680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
196: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 11# 0x0000FFFF91A4B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 12# 0x0000FFFF91A4B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 13# 0x0000FFFF91A4B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 14# 0x0000FFFF91A4B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 15# 0x0000FFFF91A4B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 21# 0x0000FFFF9346F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
196: 22# _PyObject_MakeTpCall in /usr/bin/python3
196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 24# 0x0000000000531670 in /usr/bin/python3
196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 26# 0x00000000004AB0F4 in /usr/bin/python3
196: 27# 0x0000000000662B58 in /usr/bin/python3
196: 28# _PyObject_MakeTpCall in /usr/bin/python3
196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 30# 0x0000000000531670 in /usr/bin/python3
196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 32# 0x00000000004AB0F4 in /usr/bin/python3
196: 33# 0x0000000000662B58 in /usr/bin/python3
196: 34# _PyObject_MakeTpCall in /usr/bin/python3
196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 36# 0x0000000000531670 in /usr/bin/python3
196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 38# 0x00000000004AB0F4 in /usr/bin/python3
196: 39# 0x0000000000662B58 in /usr/bin/python3
196: 40# _PyObject_MakeTpCall in /usr/bin/python3
196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 42# 0x0000000000503430 in /usr/bin/python3
196: 43# _PyObject_MakeTpCall in /usr/bin/python3
196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
196: 45# PyEval_EvalCode in /usr/bin/python3
196: 46# 0x00000000005FD91C in /usr/bin/python3
196: 47# 0x00000000005F7E70 in /usr/bin/python3
196: 48# 0x00000000006258F0 in /usr/bin/python3
196: 49# 0x0000000000625034 in /usr/bin/python3
196: 50# 0x0000000000624DCC in /usr/bin/python3
196: 51# Py_RunMain in /usr/bin/python3
196: 52# Py_BytesMain in /usr/bin/python3
196: 53# 0x0000FFFF93C5229C in /lib/aarch64-linux-gnu/libc.so.6
196: 54# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
196: 55# _start in /usr/bin/python3
196: ----------
196: ****
196:
196: .
196: ----------------------------------------------------------------------
196: Ran 9 tests in 0.199s
196:
196: OK
196: Testing Trajectory wrapper
194: ............[00:53:35] Explicit valence for atom # 1 C, 5, is greater than permitted
185/235 Test #196: pyTestTrajectory ....................... Passed 0.42 sec
test 197
Start 197: pyTestSGroups
197: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testSGroups.py"
197: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
197: Test timeout computed to be: 1500
194: ......[00:53:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
194: [00:53:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
194: [00:53:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
194: [00:53:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
194: .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)|
194: ........[00:53:35] non-ring atom 0 marked aromatic
194: [00:53:35] non-ring atom 0 marked aromatic
194: [00:53:35]
194:
194: ****
194: Range Error
194: idx
194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
194: Failed Expression: 12 < 6
194: ----------
194: Stacktrace:
194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
194: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
194: 4# 0x0000FFFF8D9B6C70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 6# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
194: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 17# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 18# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 19# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 20# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 21# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 27# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 28# _PyObject_MakeTpCall in /usr/bin/python3
194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 30# 0x0000000000531670 in /usr/bin/python3
194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 32# 0x00000000004AB0F4 in /usr/bin/python3
194: 33# 0x0000000000662B58 in /usr/bin/python3
194: 34# _PyObject_MakeTpCall in /usr/bin/python3
194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 36# 0x0000000000531670 in /usr/bin/python3
194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 38# 0x00000000004AB0F4 in /usr/bin/python3
194: 39# 0x0000000000662B58 in /usr/bin/python3
194: 40# _PyObject_MakeTpCall in /usr/bin/python3
194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 42# 0x0000000000531670 in /usr/bin/python3
194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 44# 0x00000000004AB0F4 in /usr/bin/python3
194: 45# 0x0000000000662B58 in /usr/bin/python3
194: 46# _PyObject_MakeTpCall in /usr/bin/python3
194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 48# 0x0000000000503430 in /usr/bin/python3
194: 49# _PyObject_MakeTpCall in /usr/bin/python3
194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 51# PyEval_EvalCode in /usr/bin/python3
194: 52# 0x00000000005FD91C in /usr/bin/python3
194: 53# 0x00000000005F7E70 in /usr/bin/python3
194: 54# 0x00000000006258F0 in /usr/bin/python3
194: 55# 0x0000000000625034 in /usr/bin/python3
194: 56# 0x0000000000624DCC in /usr/bin/python3
194: 57# Py_RunMain in /usr/bin/python3
194: 58# Py_BytesMain in /usr/bin/python3
194: 59# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
194: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
194: 61# _start in /usr/bin/python3
194: ----------
194: ****
194:
194: [00:53:35] non-ring atom 0 marked aromatic
194: [00:53:35] non-ring atom 0 marked aromatic
194: [00:53:35]
194:
194: ****
194: Range Error
194: idx
194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
194: Failed Expression: 12 < 6
194: ----------
194: Stacktrace:
194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
194: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
194: 4# 0x0000FFFF8D9B6C70 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 6# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
194: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 17# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 18# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 19# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 20# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 21# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 27# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 28# _PyObject_MakeTpCall in /usr/bin/python3
194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 30# 0x0000000000531670 in /usr/bin/python3
194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 32# 0x00000000004AB0F4 in /usr/bin/python3
194: 33# 0x0000000000662B58 in /usr/bin/python3
194: 34# _PyObject_MakeTpCall in /usr/bin/python3
194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 36# 0x0000000000531670 in /usr/bin/python3
194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 38# 0x00000000004AB0F4 in /usr/bin/python3
194: 39# 0x0000000000662B58 in /usr/bin/python3
194: 40# _PyObject_MakeTpCall in /usr/bin/python3
194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 42# 0x0000000000531670 in /usr/bin/python3
194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 44# 0x00000000004AB0F4 in /usr/bin/python3
194: 45# 0x0000000000662B58 in /usr/bin/python3
194: 46# _PyObject_MakeTpCall in /usr/bin/python3
194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 48# 0x0000000000503430 in /usr/bin/python3
194: 49# _PyObject_MakeTpCall in /usr/bin/python3
194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 51# PyEval_EvalCode in /usr/bin/python3
194: 52# 0x00000000005FD91C in /usr/bin/python3
194: 53# 0x00000000005F7E70 in /usr/bin/python3
194: 54# 0x00000000006258F0 in /usr/bin/python3
194: 55# 0x0000000000625034 in /usr/bin/python3
194: 56# 0x0000000000624DCC in /usr/bin/python3
194: 57# Py_RunMain in /usr/bin/python3
194: 58# Py_BytesMain in /usr/bin/python3
194: 59# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
194: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
194: 61# _start in /usr/bin/python3
194: ----------
194: ****
194:
194: ...............[00:53:35] 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.
194: [00:53:35] 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.
173: Query 2
197: .............
197: ----------------------------------------------------------------------
197: Ran 13 tests in 0.012s
197:
197: OK
197: Testing SubstanceGroups wrapper
194: ..............[00:53:35] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
194: [00:53:35] Explicit valence for atom # 1 C, 5, is greater than permitted
186/235 Test #197: pyTestSGroups .......................... Passed 0.20 sec
test 198
Start 198: pyTestThreads
198: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testThreads.py"
198: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
198: Test timeout computed to be: 1500
185: bulk, no symmetry
185: [00:53:35] Relabelling existing label
194: ............................[00:53:35] unable to set wavy bonds for double bonds: 3
194: .............[00:53:36]
194:
194: ****
194: Range Error
194: idx
194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
194: Failed Expression: 6 < 5
194: ----------
194: Stacktrace:
194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
194: 3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
194: 4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<void (RDKit::ReadWriteMol::*)(unsigned int), boost::python::default_call_policies, boost::mpl::vector3<void, RDKit::ReadWriteMol&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 6# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
194: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 17# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 18# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 19# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 20# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 21# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 27# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 28# _PyObject_MakeTpCall in /usr/bin/python3
194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 30# 0x0000000000531670 in /usr/bin/python3
194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 32# 0x00000000004AB0F4 in /usr/bin/python3
194: 33# 0x0000000000662B58 in /usr/bin/python3
194: 34# _PyObject_MakeTpCall in /usr/bin/python3
194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 36# 0x0000000000531670 in /usr/bin/python3
194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 38# 0x00000000004AB0F4 in /usr/bin/python3
194: 39# 0x0000000000662B58 in /usr/bin/python3
194: 40# _PyObject_MakeTpCall in /usr/bin/python3
194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 42# 0x0000000000531670 in /usr/bin/python3
194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 44# 0x00000000004AB0F4 in /usr/bin/python3
194: 45# 0x0000000000662B58 in /usr/bin/python3
194: 46# _PyObject_MakeTpCall in /usr/bin/python3
194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 48# 0x0000000000503430 in /usr/bin/python3
194: 49# _PyObject_MakeTpCall in /usr/bin/python3
194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 51# PyEval_EvalCode in /usr/bin/python3
194: 52# 0x00000000005FD91C in /usr/bin/python3
194: 53# 0x00000000005F7E70 in /usr/bin/python3
194: 54# 0x00000000006258F0 in /usr/bin/python3
194: 55# 0x0000000000625034 in /usr/bin/python3
194: 56# 0x0000000000624DCC in /usr/bin/python3
194: 57# Py_RunMain in /usr/bin/python3
194: 58# Py_BytesMain in /usr/bin/python3
194: 59# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
194: 60# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
194: 61# _start in /usr/bin/python3
194: ----------
194: ****
194:
185: Best mapping
187/235 Test #185: testRGroupDecomp ....................... Passed 6.36 sec
test 199
Start 199: pyTestMultithreadedMolSupplier
199: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py"
199: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
199: Test timeout computed to be: 1500
182: [00:53:36] -------------------------------------
182: [00:53:36] Results do not depend on numThreads (all same)
182: [00:53:36] -------------------------------------
182: [00:53:36] testTautomerQueries
182: [00:53:36] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring...
182: [00:53:36] -------------------------------------
182: [00:53:36] github3881 recursive smarts with rings
188/235 Test #182: substructLibraryTest ................... Passed 8.90 sec
test 200
Start 200: pyTestPropertyLists
200: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testPropertyLists.py"
200: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
200: Test timeout computed to be: 1500
199: .s.
199: ----------------------------------------------------------------------
199: Ran 3 tests in 0.245s
199:
199: OK (skipped=1)
199: Testing Smiles and SD MultithreadedMolSupplier
189/235 Test #199: pyTestMultithreadedMolSupplier ......... Passed 0.65 sec
test 201
Start 201: pyCDXMLTest
201: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/test_cdxml.py"
201: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
201: Test timeout computed to be: 1500
200: [00:53:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
200: [00:53:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
200: [00:53:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
200: .[00:53:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
200: [00:53:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
200: [00:53:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
200: ...[00:53:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
200: [00:53:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
200: [00:53:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
200: .
200: ----------------------------------------------------------------------
200: Ran 5 tests in 0.031s
200:
200: OK
190/235 Test #200: pyTestPropertyLists .................... Passed 0.46 sec
test 202
Start 202: molStandardizeTest
202: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeTest
202: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
202: Test timeout computed to be: 1500
201: .
201: ----------------------------------------------------------------------
201: Ran 1 test in 0.010s
201:
201: OK
191/235 Test #201: pyCDXMLTest ............................ Passed 0.49 sec
test 203
Start 203: molNormalizeTest
203: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molNormalizeTest
203: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
203: Test timeout computed to be: 1500
194: ....................[00:53:37] Explicit valence for atom # 1 F, 2, is greater than permitted
194: [00:53:37] Explicit valence for atom # 6 F, 2, is greater than permitted
194: [00:53:37] Can't kekulize mol. Unkekulized atoms: 3 4 5
203: [00:53:37] Can't kekulize mol. Unkekulized atoms: 3 7 8 9
194: .................[00:53:37] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
203: [00:53:37] Initializing Normalizer
203: [00:53:37] Running Normalizer
203: [00:53:37] Rule applied: BrokenazidetoN=N+=N-
203: [00:53:37] Initializing Normalizer
203: [00:53:37] Running Normalizer
203: [00:53:37] Initializing Normalizer
203: [00:53:37] Running Normalizer
192/235 Test #203: molNormalizeTest ....................... Passed 0.14 sec
test 204
Start 204: molValidateTest
204: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molValidateTest
204: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
204: Test timeout computed to be: 1500
204: ERROR: [FeaturesValidation] Query atom 0 is not allowed
204: ERROR: [FeaturesValidation] Dummy atom 0 is not allowed
204: ERROR: [FeaturesValidation] Query bond 0 is not allowed
204: ERROR: [FeaturesValidation] Bond 0 of aromatic type is not allowed
204: ERROR: [FeaturesValidation] Bond 1 of aromatic type is not allowed
204: ERROR: [FeaturesValidation] Bond 2 of aromatic type is not allowed
204: ERROR: [FeaturesValidation] Bond 3 of aromatic type is not allowed
204: ERROR: [FeaturesValidation] Bond 5 of aromatic type is not allowed
204: ERROR: [FeaturesValidation] Bond 6 of aromatic type is not allowed
204: ERROR: [FeaturesValidation] Bond 2 of dative type is not allowed
204: ERROR: [FeaturesValidation] Bond 3 of dative type is not allowed
204: ERROR: [FeaturesValidation] Atom 2 with alias 'CF3' is not allowed
204: ERROR: [FeaturesValidation] Enhanced stereochemistry features are not allowed
204: ERROR: [StereoValidation] Atom 3 has both unknown and wedged/dashed stereo bonds.
204: here
204: ERROR: [StereoValidation] Bond 3 has assigned stereo type, but unexpected bond order.
204: there
204: ERROR: [StereoValidation] Atom 0 has stereo bonds, but less than 3 explicit substituents.
193/235 Test #204: molValidateTest ........................ Passed 0.06 sec
test 205
Start 205: molChargeTest
205: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molChargeTest
205: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
205: Test timeout computed to be: 1500
194/235 Test #205: molChargeTest .......................... Passed 0.11 sec
test 206
Start 206: molTautomerTest
206: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molTautomerTest
206: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
206: Test timeout computed to be: 1500
206: [00:53:38] Tautomer enumeration stopped at 292 tautomers: max transforms reached
195/235 Test #202: molStandardizeTest ..................... Passed 1.39 sec
test 207
Start 207: molStandardizeSmallTest
207: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest
207: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
207: Test timeout computed to be: 1500
196/235 Test #207: molStandardizeSmallTest ................ Passed 0.06 sec
test 208
Start 208: molFragmentTest
208: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest
208: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
208: Test timeout computed to be: 1500
206: [00:53:38] Tautomer enumeration stopped at 292 tautomers: max transforms reached
208: [00:53:38] SMARTS Parse Error: syntax error while parsing: [Cl
208: [00:53:38] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl'
197/235 Test #208: molFragmentTest ........................ Passed 0.08 sec
test 209
Start 209: molStandardizeCatchTest
209: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest
209: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
209: Test timeout computed to be: 1500
206: [00:53:38] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
206: [00:53:38] Tautomer enumeration stopped at 73 tautomers: canceled
206: Enumeration was canceled due to timeout (50 ms)
209: Randomness seeded to: 793232376
209: * - * - * - * m1
209: * - * - * - * m2
209: * - * - * - * m1
209: * - * - * - * m2
209: [00:53:39] Can't kekulize mol. Unkekulized atoms: 3 7
209: [00:53:39] Can't kekulize mol. Unkekulized atoms: 3 8
209: [00:53:39] Can't kekulize mol. Unkekulized atoms: 2 3 4
206: 375
206: Enumeration has completed
206: [00:53:39] Tautomer enumeration stopped at 119 tautomers: canceled
147: [00:53:39] UFFTYPER: Unrecognized atom type: S_6+6 (0)
147: [00:53:39] UFFTYPER: Warning: hybridization set to SP3 for atom 0
147: [00:53:39] UFFTYPER: Unrecognized charge state for atom: 0
206: CN=c1cc[nH]cn1
206: CN=c1ccnc[nH]1
206: CNc1ccncn1
206: res: CNc1ccncn1
206: CN=c1cccc[nH]1
206: CNc1ccccn1
206: res: CNc1ccccn1
198/235 Test #206: molTautomerTest ........................ Passed 2.22 sec
test 210
Start 210: molStandardizePipelineTest
210: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizePipelineTest
210: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
210: Test timeout computed to be: 1500
210: Randomness seeded to: 1862916827
210: 1 Counts line too short: '' on line4
210: 1 Could not instantiate a valid molecule from input
210: 8 Molecule has no atoms
210: [00:53:39] Explicit valence for atom # 1 N, 4, is greater than permitted
210: [00:53:39] Explicit valence for atom # 1 N, 4, is greater than permitted
210: 8 Explicit valence for atom # 1 N, 4, is greater than permitted
210: 128 An error occurred while preparing the molecule for standardization.
210: 8 The molecule contains an unknown isotope: 3C
210: 4 Query atom 0 is not allowed
210: 4 Bond 0 of aromatic type is not allowed
210: 4 Bond 1 of aromatic type is not allowed
210: 4 Bond 2 of aromatic type is not allowed
210: 4 Bond 3 of aromatic type is not allowed
210: 4 Bond 5 of aromatic type is not allowed
210: 4 Bond 6 of aromatic type is not allowed
210: 4 Bond 2 of dative type is not allowed
210: 4 Bond 3 of dative type is not allowed
210: 4 Enhanced stereochemistry features are not allowed
210: 8 The radical at atom 0 is not allowed
210: [00:53:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
210: 16 The molecule includes non-null Z coordinates
210: 32 Atom 0 too close to bond 2
210: 32 The length of bond 3 between atoms 0 and 3 exceeds a configured limit
210: 64 Atom 0 has 3 explicit substituents and multiple stereo bonds
210: 64 Atom 0 has adjacent stereo bonds with like orientation
210: [00:53:39] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
210: 16 The molecule includes non-null Z coordinates
210: 64 Atom 0 has adjacent stereo bonds with like orientation
210: 32 The length of bond 16 between atoms 16 and 1 exceeds a configured limit
210: 8388608 One or more metal atoms were disconnected.
210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
210: 67108864 The protonation state was adjusted.
210: 16777216 The representation of some functional groups was adjusted.
210: 67108864 The protonation state was adjusted.
210: 16777216 The representation of some functional groups was adjusted.
210: 67108864 The protonation state was adjusted.
210: 16777216 The representation of some functional groups was adjusted.
210: 16777216 The representation of some functional groups was adjusted.
210: 67108864 The protonation state was adjusted.
210: 16777216 The representation of some functional groups was adjusted.
210: 67108864 The protonation state was adjusted.
210: 16777216 The representation of some functional groups was adjusted.
210: 67108864 The protonation state was adjusted.
210: 16777216 The representation of some functional groups was adjusted.
210: 67108864 The protonation state was adjusted.
210: 8388608 One or more metal atoms were disconnected.
210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
210: 67108864 The protonation state was adjusted.
210: 8388608 One or more metal atoms were disconnected.
210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
210: 67108864 The protonation state was adjusted.
210: 8388608 One or more metal atoms were disconnected.
210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
210: 67108864 The protonation state was adjusted.
210: 8388608 One or more metal atoms were disconnected.
210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
210: 67108864 The protonation state was adjusted.
210: 8388608 One or more metal atoms were disconnected.
210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
210: 67108864 The protonation state was adjusted.
210: 16777216 The "wavy" style of bond 4 was removed
210: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration
210: 16777216 The "wavy" style of bond 2 was removed
210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
210: 16777216 The "wavy" style of bond 1 was removed
210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
210: 16777216 The "wavy" style of bond 1 was removed
210: 16777216 The "wavy" style of bond 4 was removed
210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
210: 16777216 The "wavy" style of bond 3 was removed
210: 16777216 The representation of some functional groups was adjusted.
210: [00:53:40] Can't kekulize mol. Unkekulized atoms: 2 3 5
210: ===============================================================================
210: All tests passed (268 assertions in 5 test cases)
210:
199/235 Test #210: molStandardizePipelineTest ............. Passed 0.22 sec
test 211
Start 211: pyMolStandardize
211: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py"
211: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap
211: Test timeout computed to be: 1500
211: .....[00:53:40] Tautomer enumeration stopped at 292 tautomers: max transforms reached
211: [00:53:40] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
211: .[00:53:40] Tautomer enumeration stopped at 89 tautomers: canceled
211: Enumeration was canceled due to timeout (50 ms)
150: ---------------------------------
150: test getO3AForProbeConfs
150:
150: ***********************************************************
200/235 Test #150: testO3AAlign ........................... Passed 26.68 sec
test 212
Start 212: testScaffoldNetwork
212: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork
212: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork
212: Test timeout computed to be: 1500
211: Enumeration has completed
211: [00:53:41] Tautomer enumeration stopped at 88 tautomers: canceled
212: Randomness seeded to: 4096046699
212: ===============================================================================
212: All tests passed (273 assertions in 19 test cases)
212:
211: ..........[00:53:41] Explicit valence for atom # 1 N, 4, is greater than permitted
211: [00:53:41] Explicit valence for atom # 1 N, 4, is greater than permitted
201/235 Test #212: testScaffoldNetwork .................... Passed 0.68 sec
test 213
Start 213: pyScaffoldNetwork
213: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py"
213: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
213: Test timeout computed to be: 1500
211: [00:53:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
211: [00:53:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
213: .......
213: ----------------------------------------------------------------------
213: Ran 7 tests in 0.023s
213:
213: OK
202/235 Test #213: pyScaffoldNetwork ...................... Passed 0.21 sec
test 214
Start 214: pyScaffoldNetworkPickling
214: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py"
214: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
214: Test timeout computed to be: 1500
214: .
214: ----------------------------------------------------------------------
214: Ran 1 test in 0.013s
214:
214: OK
203/235 Test #214: pyScaffoldNetworkPickling .............. Passed 0.23 sec
test 215
Start 215: testMolEnumerator
215: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator
215: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator
215: Test timeout computed to be: 1500
215: Randomness seeded to: 3607136276
215: [00:53:42] can only enumerate SRUs with CONNECT=HT or CONNECT=HH
215: ===============================================================================
215: All tests passed (321 assertions in 16 test cases)
215:
204/235 Test #215: testMolEnumerator ...................... Passed 0.05 sec
test 216
Start 216: pyMolEnumerator
216: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rough_test.py"
216: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap
216: Test timeout computed to be: 1500
216: ...
216: ----------------------------------------------------------------------
216: Ran 3 tests in 0.008s
216:
216: OK
205/235 Test #216: pyMolEnumerator ........................ Passed 0.21 sec
test 217
Start 217: testAbbreviations
217: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations
217: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations
217: Test timeout computed to be: 1500
217: Randomness seeded to: 1425558573
217: [00:53:42] SMARTS Parse Error: syntax error while parsing: *fail
217: [00:53:42] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail'
217: [00:53:42] no suitable SubstanceGroups found
217: ===============================================================================
217: All tests passed (195 assertions in 12 test cases)
217:
206/235 Test #217: testAbbreviations ...................... Passed 0.03 sec
test 218
Start 218: pyAbbreviations
218: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py"
218: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap
218: Test timeout computed to be: 1500
218: .......
218: ----------------------------------------------------------------------
218: Ran 7 tests in 0.012s
218:
218: OK
207/235 Test #218: pyAbbreviations ........................ Passed 0.20 sec
test 219
Start 219: generalizedSubstructCatch
219: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch
219: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct
219: Test timeout computed to be: 1500
211: ............[00:53:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
211: [00:53:42] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
211: [00:53:42] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
219: Randomness seeded to: 219528124
219: ===============================================================================
219: All tests passed (486 assertions in 10 test cases)
219:
208/235 Test #219: generalizedSubstructCatch .............. Passed 0.18 sec
test 220
Start 220: pyGeneralizedSubstruct
220: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py"
220: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap
220: Test timeout computed to be: 1500
211: ........[00:53:42] Explicit valence for atom # 1 O, 3, is greater than permitted
211: ..
211: ----------------------------------------------------------------------
211: Ran 38 tests in 2.489s
211:
211: OK
211: done
209/235 Test #211: pyMolStandardize ....................... Passed 2.89 sec
test 221
Start 221: testMolProcessing
221: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/testMolProcessing
221: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing
221: Test timeout computed to be: 1500
220: .......
220: ----------------------------------------------------------------------
220: Ran 7 tests in 0.167s
220:
220: OK
210/235 Test #220: pyGeneralizedSubstruct ................. Passed 0.55 sec
test 222
Start 222: pyMolProcessing
222: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap/testMolProcessing.py"
222: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolProcessing/Wrap
222: Test timeout computed to be: 1500
194: ..[00:53:43]
194:
194: ****
194: Pre-condition Violation
194: no owner
194: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
194: Failed Expression: dp_mol
194: ----------
194: Stacktrace:
194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::ROMol& (RDKit::Atom::*)() const, boost::python::return_internal_reference<1ul, boost::python::default_call_policies>, boost::mpl::vector2<RDKit::ROMol&, RDKit::Atom&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
194: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 27# _PyObject_MakeTpCall in /usr/bin/python3
194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 29# 0x0000000000531670 in /usr/bin/python3
194: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 31# 0x00000000004AB0F4 in /usr/bin/python3
194: 32# 0x0000000000662B58 in /usr/bin/python3
194: 33# _PyObject_MakeTpCall in /usr/bin/python3
194: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 35# 0x0000000000531670 in /usr/bin/python3
194: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 37# 0x00000000004AB0F4 in /usr/bin/python3
194: 38# 0x0000000000662B58 in /usr/bin/python3
194: 39# _PyObject_MakeTpCall in /usr/bin/python3
194: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 41# 0x0000000000531670 in /usr/bin/python3
194: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 43# 0x00000000004AB0F4 in /usr/bin/python3
194: 44# 0x0000000000662B58 in /usr/bin/python3
194: 45# _PyObject_MakeTpCall in /usr/bin/python3
194: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 47# 0x0000000000503430 in /usr/bin/python3
194: 48# _PyObject_MakeTpCall in /usr/bin/python3
194: 49# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 50# PyEval_EvalCode in /usr/bin/python3
194: 51# 0x00000000005FD91C in /usr/bin/python3
194: 52# 0x00000000005F7E70 in /usr/bin/python3
194: 53# 0x00000000006258F0 in /usr/bin/python3
194: 54# 0x0000000000625034 in /usr/bin/python3
194: 55# 0x0000000000624DCC in /usr/bin/python3
194: 56# Py_RunMain in /usr/bin/python3
194: 57# Py_BytesMain in /usr/bin/python3
194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
194: 60# _start in /usr/bin/python3
194: ----------
194: ****
194:
194: [00:53:43]
194:
194: ****
194: Pre-condition Violation
194: no owner
194: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
194: Failed Expression: dp_mol
194: ----------
194: Stacktrace:
194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 2# RDKit::AtomGetNeighbors(RDKit::Atom*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<boost::python::tuple (*)(RDKit::Atom*), boost::python::default_call_policies, boost::mpl::vector2<boost::python::tuple, RDKit::Atom*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
194: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 27# _PyObject_MakeTpCall in /usr/bin/python3
194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 29# 0x0000000000531670 in /usr/bin/python3
194: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 31# 0x00000000004AB0F4 in /usr/bin/python3
194: 32# 0x0000000000662B58 in /usr/bin/python3
194: 33# _PyObject_MakeTpCall in /usr/bin/python3
194: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 35# 0x0000000000531670 in /usr/bin/python3
194: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 37# 0x00000000004AB0F4 in /usr/bin/python3
194: 38# 0x0000000000662B58 in /usr/bin/python3
194: 39# _PyObject_MakeTpCall in /usr/bin/python3
194: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 41# 0x0000000000531670 in /usr/bin/python3
194: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 43# 0x00000000004AB0F4 in /usr/bin/python3
194: 44# 0x0000000000662B58 in /usr/bin/python3
194: 45# _PyObject_MakeTpCall in /usr/bin/python3
194: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 47# 0x0000000000503430 in /usr/bin/python3
194: 48# _PyObject_MakeTpCall in /usr/bin/python3
194: 49# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 50# PyEval_EvalCode in /usr/bin/python3
194: 51# 0x00000000005FD91C in /usr/bin/python3
194: 52# 0x00000000005F7E70 in /usr/bin/python3
194: 53# 0x00000000006258F0 in /usr/bin/python3
194: 54# 0x0000000000625034 in /usr/bin/python3
194: 55# 0x0000000000624DCC in /usr/bin/python3
194: 56# Py_RunMain in /usr/bin/python3
194: 57# Py_BytesMain in /usr/bin/python3
194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
194: 60# _start in /usr/bin/python3
194: ----------
194: ****
194:
194: [00:53:43]
194:
194: ****
194: Pre-condition Violation
194: no owner
194: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
194: Failed Expression: dp_mol
194: ----------
194: Stacktrace:
194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 2# RDKit::AtomGetBonds(RDKit::Atom*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<boost::python::tuple (*)(RDKit::Atom*), boost::python::default_call_policies, boost::mpl::vector2<boost::python::tuple, RDKit::Atom*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
194: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 27# _PyObject_MakeTpCall in /usr/bin/python3
194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 29# 0x0000000000531670 in /usr/bin/python3
194: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 31# 0x00000000004AB0F4 in /usr/bin/python3
194: 32# 0x0000000000662B58 in /usr/bin/python3
194: 33# _PyObject_MakeTpCall in /usr/bin/python3
194: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 35# 0x0000000000531670 in /usr/bin/python3
194: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 37# 0x00000000004AB0F4 in /usr/bin/python3
194: 38# 0x0000000000662B58 in /usr/bin/python3
194: 39# _PyObject_MakeTpCall in /usr/bin/python3
194: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 41# 0x0000000000531670 in /usr/bin/python3
194: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 43# 0x00000000004AB0F4 in /usr/bin/python3
194: 44# 0x0000000000662B58 in /usr/bin/python3
194: 45# _PyObject_MakeTpCall in /usr/bin/python3
194: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 47# 0x0000000000503430 in /usr/bin/python3
194: 48# _PyObject_MakeTpCall in /usr/bin/python3
194: 49# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 50# PyEval_EvalCode in /usr/bin/python3
194: 51# 0x00000000005FD91C in /usr/bin/python3
194: 52# 0x00000000005F7E70 in /usr/bin/python3
194: 53# 0x00000000006258F0 in /usr/bin/python3
194: 54# 0x0000000000625034 in /usr/bin/python3
194: 55# 0x0000000000624DCC in /usr/bin/python3
194: 56# Py_RunMain in /usr/bin/python3
194: 57# Py_BytesMain in /usr/bin/python3
194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
194: 60# _start in /usr/bin/python3
194: ----------
194: ****
194:
194: [00:53:43]
194:
194: ****
194: Pre-condition Violation
194: no owner
194: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
194: Failed Expression: dp_mol
194: ----------
194: Stacktrace:
194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 2# RDKit::AtomIsInRing(RDKit::Atom const*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<bool (*)(RDKit::Atom const*), boost::python::default_call_policies, boost::mpl::vector2<bool, RDKit::Atom const*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
194: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 27# _PyObject_MakeTpCall in /usr/bin/python3
194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 29# 0x0000000000531670 in /usr/bin/python3
194: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 31# 0x00000000004AB0F4 in /usr/bin/python3
194: 32# 0x0000000000662B58 in /usr/bin/python3
194: 33# _PyObject_MakeTpCall in /usr/bin/python3
194: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 35# 0x0000000000531670 in /usr/bin/python3
194: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 37# 0x00000000004AB0F4 in /usr/bin/python3
194: 38# 0x0000000000662B58 in /usr/bin/python3
194: 39# _PyObject_MakeTpCall in /usr/bin/python3
194: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 41# 0x0000000000531670 in /usr/bin/python3
194: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 43# 0x00000000004AB0F4 in /usr/bin/python3
194: 44# 0x0000000000662B58 in /usr/bin/python3
194: 45# _PyObject_MakeTpCall in /usr/bin/python3
194: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 47# 0x0000000000503430 in /usr/bin/python3
194: 48# _PyObject_MakeTpCall in /usr/bin/python3
194: 49# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 50# PyEval_EvalCode in /usr/bin/python3
194: 51# 0x00000000005FD91C in /usr/bin/python3
194: 52# 0x00000000005F7E70 in /usr/bin/python3
194: 53# 0x00000000006258F0 in /usr/bin/python3
194: 54# 0x0000000000625034 in /usr/bin/python3
194: 55# 0x0000000000624DCC in /usr/bin/python3
194: 56# Py_RunMain in /usr/bin/python3
194: 57# Py_BytesMain in /usr/bin/python3
194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
194: 60# _start in /usr/bin/python3
194: ----------
194: ****
194:
194: [00:53:43]
194:
194: ****
194: Pre-condition Violation
194: no owner
194: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
194: Failed Expression: dp_mol
194: ----------
194: Stacktrace:
194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 2# RDKit::AtomIsInRingSize(RDKit::Atom const*, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<bool (*)(RDKit::Atom const*, int), boost::python::default_call_policies, boost::mpl::vector3<bool, RDKit::Atom const*, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
194: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 27# _PyObject_MakeTpCall in /usr/bin/python3
194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 29# 0x0000000000531670 in /usr/bin/python3
194: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 31# 0x00000000004AB0F4 in /usr/bin/python3
194: 32# 0x0000000000662B58 in /usr/bin/python3
194: 33# _PyObject_MakeTpCall in /usr/bin/python3
194: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 35# 0x0000000000531670 in /usr/bin/python3
194: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 37# 0x00000000004AB0F4 in /usr/bin/python3
194: 38# 0x0000000000662B58 in /usr/bin/python3
194: 39# _PyObject_MakeTpCall in /usr/bin/python3
194: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 41# 0x0000000000531670 in /usr/bin/python3
194: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 43# 0x00000000004AB0F4 in /usr/bin/python3
194: 44# 0x0000000000662B58 in /usr/bin/python3
194: 45# _PyObject_MakeTpCall in /usr/bin/python3
194: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 47# 0x0000000000503430 in /usr/bin/python3
194: 48# _PyObject_MakeTpCall in /usr/bin/python3
194: 49# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 50# PyEval_EvalCode in /usr/bin/python3
194: 51# 0x00000000005FD91C in /usr/bin/python3
194: 52# 0x00000000005F7E70 in /usr/bin/python3
194: 53# 0x00000000006258F0 in /usr/bin/python3
194: 54# 0x0000000000625034 in /usr/bin/python3
194: 55# 0x0000000000624DCC in /usr/bin/python3
194: 56# Py_RunMain in /usr/bin/python3
194: 57# Py_BytesMain in /usr/bin/python3
194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
194: 60# _start in /usr/bin/python3
194: ----------
194: ****
194:
194: .....[00:53:43]
194:
194: ****
194: Range Error
194: atomIdx1
194: Violation occurred on line 496 in file ./Code/GraphMol/RWMol.cpp
194: Failed Expression: 0 < 0
194: ----------
194: Stacktrace:
194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
194: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<int (RDKit::ReadWriteMol::*)(unsigned int, unsigned int, RDKit::Bond::BondType), boost::python::default_call_policies, boost::mpl::vector5<int, RDKit::ReadWriteMol&, unsigned int, unsigned int, RDKit::Bond::BondType> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
194: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 27# _PyObject_MakeTpCall in /usr/bin/python3
194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 29# 0x0000000000531670 in /usr/bin/python3
194: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 31# 0x00000000004AB0F4 in /usr/bin/python3
194: 32# 0x0000000000662B58 in /usr/bin/python3
194: 33# _PyObject_MakeTpCall in /usr/bin/python3
194: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 35# 0x0000000000531670 in /usr/bin/python3
194: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 37# 0x00000000004AB0F4 in /usr/bin/python3
194: 38# 0x0000000000662B58 in /usr/bin/python3
194: 39# _PyObject_MakeTpCall in /usr/bin/python3
194: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 41# 0x0000000000531670 in /usr/bin/python3
194: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 43# 0x00000000004AB0F4 in /usr/bin/python3
194: 44# 0x0000000000662B58 in /usr/bin/python3
194: 45# _PyObject_MakeTpCall in /usr/bin/python3
194: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 47# 0x0000000000503430 in /usr/bin/python3
194: 48# _PyObject_MakeTpCall in /usr/bin/python3
194: 49# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 50# PyEval_EvalCode in /usr/bin/python3
194: 51# 0x00000000005FD91C in /usr/bin/python3
194: 52# 0x00000000005F7E70 in /usr/bin/python3
194: 53# 0x00000000006258F0 in /usr/bin/python3
194: 54# 0x0000000000625034 in /usr/bin/python3
194: 55# 0x0000000000624DCC in /usr/bin/python3
194: 56# Py_RunMain in /usr/bin/python3
194: 57# Py_BytesMain in /usr/bin/python3
194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
194: 60# _start in /usr/bin/python3
194: ----------
194: ****
194:
194: ......[00:53:43] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
194: [00:53:43] ERROR: Smiles parse error on line 0
194: [00:53:43] ERROR: Cannot create molecule from : 'c1ccccc'
194: [00:53:43] SMILES Parse Error: extra open parentheses while parsing: C(C
194: [00:53:43] SMILES Parse Error: check for mistakes around position 2:
194: [00:53:43] C(C
194: [00:53:43] ~^
194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
194: [00:53:43] ERROR: Smiles parse error on line 3
194: [00:53:43] ERROR: Cannot create molecule from : 'C(C'
194: [00:53:43] Explicit valence for atom # 1 C, 5, is greater than permitted
194: [00:53:43] ERROR: Could not sanitize molecule on line 6
194: [00:53:43] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
194: [00:53:43] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
194: [00:53:43] ERROR: Smiles parse error on line 0
194: [00:53:43] ERROR: Cannot create molecule from : 'c1ccccc'
194: [00:53:43] SMILES Parse Error: extra open parentheses while parsing: C(C
194: [00:53:43] SMILES Parse Error: check for mistakes around position 2:
194: [00:53:43] C(C
194: [00:53:43] ~^
194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
194: [00:53:43] ERROR: Smiles parse error on line 3
194: [00:53:43] ERROR: Cannot create molecule from : 'C(C'
194: [00:53:43] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC'
194: [00:53:43] ERROR: Smiles parse error on line 6
194: [00:53:43] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC'
194: [00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
194: [00:53:43] ERROR: Could not sanitize molecule ending on line 21
194: [00:53:43] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
194: [00:53:43] ERROR: EOF hit while reading atoms
194: [00:53:43] ERROR: moving to the beginning of the next molecule
194: [00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
194: [00:53:43] ERROR: Could not sanitize molecule ending on line 21
194: [00:53:43] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
194: [00:53:43] ERROR: EOF hit while reading atoms
194: [00:53:43] ERROR: moving to the beginning of the next molecule
194: ....[00:53:43]
194:
194: ****
194: Pre-condition Violation
194: RingInfo not initialized
194: Violation occurred on line 170 in file ./Code/GraphMol/RingInfo.cpp
194: Failed Expression: df_init
194: ----------
194: Stacktrace:
194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 2# RDKit::RingInfo::numRings() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
194: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::RingInfo::*)() const, boost::python::default_call_policies, boost::mpl::vector2<unsigned int, RDKit::RingInfo&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
194: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 27# _PyObject_MakeTpCall in /usr/bin/python3
194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 29# 0x0000000000531670 in /usr/bin/python3
194: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 31# 0x00000000004AB0F4 in /usr/bin/python3
194: 32# 0x0000000000662B58 in /usr/bin/python3
194: 33# _PyObject_MakeTpCall in /usr/bin/python3
194: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 35# 0x0000000000531670 in /usr/bin/python3
194: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 37# 0x00000000004AB0F4 in /usr/bin/python3
194: 38# 0x0000000000662B58 in /usr/bin/python3
194: 39# _PyObject_MakeTpCall in /usr/bin/python3
194: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 41# 0x0000000000531670 in /usr/bin/python3
194: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 43# 0x00000000004AB0F4 in /usr/bin/python3
194: 44# 0x0000000000662B58 in /usr/bin/python3
194: 45# _PyObject_MakeTpCall in /usr/bin/python3
194: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 47# 0x0000000000503430 in /usr/bin/python3
194: 48# _PyObject_MakeTpCall in /usr/bin/python3
194: 49# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 50# PyEval_EvalCode in /usr/bin/python3
194: 51# 0x00000000005FD91C in /usr/bin/python3
194: 52# 0x00000000005F7E70 in /usr/bin/python3
194: 53# 0x00000000006258F0 in /usr/bin/python3
194: 54# 0x0000000000625034 in /usr/bin/python3
194: 55# 0x0000000000624DCC in /usr/bin/python3
194: 56# Py_RunMain in /usr/bin/python3
194: 57# Py_BytesMain in /usr/bin/python3
194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
194: 60# _start in /usr/bin/python3
194: ----------
194: ****
194:
194: .............[00:53:43]
194:
194: ****
194: Range Error
194: idx
194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
194: Failed Expression: 3 < 1
194: ----------
194: Stacktrace:
194: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
194: 2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
194: 3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Atom* (RDKit::ROMol::*)(unsigned int), boost::python::return_internal_reference<1ul, boost::python::with_custodian_and_ward_postcall<0ul, 1ul, boost::python::default_call_policies> >, boost::mpl::vector3<RDKit::Atom*, RDKit::ROMol&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 4# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 5# 0x0000FFFF8F3B2680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdSLNParse.so
194: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdChemReactions.so
194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdDepictor.so
194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 16# 0x0000FFFF8D8EB360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 17# 0x0000FFFF8D8EB2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 18# 0x0000FFFF8D8EB288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 19# 0x0000FFFF8D8EB220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 20# 0x0000FFFF8D8EB1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 26# 0x0000FFFF8F3AF25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
194: 27# _PyObject_MakeTpCall in /usr/bin/python3
194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 29# 0x0000000000531670 in /usr/bin/python3
194: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 31# 0x00000000004AB0F4 in /usr/bin/python3
194: 32# 0x0000000000662B58 in /usr/bin/python3
194: 33# _PyObject_MakeTpCall in /usr/bin/python3
194: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 35# 0x0000000000531670 in /usr/bin/python3
194: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 37# 0x00000000004AB0F4 in /usr/bin/python3
194: 38# 0x0000000000662B58 in /usr/bin/python3
194: 39# _PyObject_MakeTpCall in /usr/bin/python3
194: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 41# 0x0000000000531670 in /usr/bin/python3
194: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 43# 0x00000000004AB0F4 in /usr/bin/python3
194: 44# 0x0000000000662B58 in /usr/bin/python3
194: 45# _PyObject_MakeTpCall in /usr/bin/python3
194: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 47# 0x0000000000503430 in /usr/bin/python3
194: 48# _PyObject_MakeTpCall in /usr/bin/python3
194: 49# _PyEval_EvalFrameDefault in /usr/bin/python3
194: 50# PyEval_EvalCode in /usr/bin/python3
194: 51# 0x00000000005FD91C in /usr/bin/python3
194: 52# 0x00000000005F7E70 in /usr/bin/python3
194: 53# 0x00000000006258F0 in /usr/bin/python3
194: 54# 0x0000000000625034 in /usr/bin/python3
194: 55# 0x0000000000624DCC in /usr/bin/python3
194: 56# Py_RunMain in /usr/bin/python3
194: 57# Py_BytesMain in /usr/bin/python3
194: 58# 0x0000FFFF900F229C in /lib/aarch64-linux-gnu/libc.so.6
194: 59# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
194: 60# _start in /usr/bin/python3
194: ----------
194: ****
194:
194: ...[00:53:43] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4
194: ............................[00:53:43] SMILES Parse Error: unclosed ring for input: 'C1CC'
194: ......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|
194: 863
194: ..[00:53:43] WARNING: not removing hydrogen atom without neighbors
194: [00:53:43] WARNING: not removing hydrogen atom with dummy atom neighbors
194: [00:53:43] WARNING: not removing hydrogen atom with wedged bond
194: [00:53:43] WARNING: not removing hydrogen atom without neighbors
194: [00:53:43] WARNING: not removing hydrogen atom with dummy atom neighbors
194: ......[00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
194: [00:53:43] Can't kekulize mol. Unkekulized atoms: 0 1 2
194: .[00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
194: [00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
194: [00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
194: [00:53:43] Explicit valence for atom # 1 F, 2, is greater than permitted
194: [00:53:43] Can't kekulize mol. Unkekulized atoms: 0 1 2
194: [00:53:43] Can't kekulize mol. Unkekulized atoms: 0 1 2
194: [00:53:43] Can't kekulize mol. Unkekulized atoms: 0 1 2
194: ..........[00:53:43] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
194: [00:53:43] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
194: .[00:53:43] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
194: [00:53:43] SMILES Parse Error: check for mistakes around position 4:
194: [00:53:43] CCC |$foo;;bar$| ourname
194: [00:53:43] ~~~^
194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
194: ..[00:53:43] SMILES Parse Error: syntax error while parsing: error
194: [00:53:43] SMILES Parse Error: check for mistakes around position 1:
194: [00:53:43] error
194: [00:53:43] ^
194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error'
194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd'
194: [00:53:43] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error'
194: [00:53:43] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd'
194: .........................[00:53:43] SMILES Parse Error: syntax error while parsing: garbage_0
194: [00:53:43] SMILES Parse Error: check for mistakes around position 1:
194: [00:53:43] garbage_0
194: [00:53:43] ^
194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0'
194: [00:53:43] SMILES Parse Error: syntax error while parsing: garbage_2
194: [00:53:43] SMILES Parse Error: check for mistakes around position 1:
194: [00:53:43] garbage_2
194: [00:53:43] ^
194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2'
194: [00:53:43] SMILES Parse Error: syntax error while parsing: garbage_4
194: [00:53:43] SMILES Parse Error: check for mistakes around position 1:
194: [00:53:43] garbage_4
194: [00:53:43] ^
194: [00:53:43] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4'
194: ............
194: ----------------------------------------------------------------------
194: Ran 279 tests in 8.937s
194:
194: OK
194: supplier: <class 'rdkit.Chem.rdmolfiles.SmilesMolSupplier'>
194: supplier: <class 'rdkit.Chem.rdmolfiles.SDMolSupplier'>
194: supplier: <class 'rdkit.Chem.rdmolfiles.TDTMolSupplier'>
211/235 Test #194: pyGraphMolWrap ......................... Passed 9.58 sec
test 223
Start 223: testMIF
223: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/testMIF
223: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields
223: Test timeout computed to be: 1500
223: Randomness seeded to: 998515122
223: ===============================================================================
223: All tests passed (27926 assertions in 8 test cases)
223:
212/235 Test #223: testMIF ................................ Passed 0.06 sec
test 224
Start 224: pyMIF
224: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/Wrap/testMIF.py"
224: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap
224: Test timeout computed to be: 1500
222: ..
222: ----------------------------------------------------------------------
222: Ran 2 tests in 0.332s
222:
222: OK
213/235 Test #222: pyMolProcessing ........................ Passed 0.68 sec
test 225
Start 225: testQuery
225: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Query/testQuery
225: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Query
225: Test timeout computed to be: 1500
225: Query
225: Query2
225: Equality
225: Greater
225: GreaterEqual
225: Less
225: LessEqual
225: Open Range
225: Closed Range
225: Float
225: With Tolerance
225: Set
225: And
225: Or
225: XOr
225: pointer and copy foo
225: Set2
214/235 Test #225: testQuery .............................. Passed 0.01 sec
test 226
Start 226: testBaseFeatures
226: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Features/testBaseFeatures
226: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/Features
226: Test timeout computed to be: 1500
226: -------------------------------------
226: Basics for ExplicitFeatures.
226: done
226: -------------------------------------
226: Basics for ImplicitFeatures.
226: done
226: -------------------------------------
226: ExplicitFeatures 2D, string type.
226: done
215/235 Test #226: testBaseFeatures ....................... Passed 0.01 sec
test 227
Start 227: testMatCalc
227: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/testMatCalc
227: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc
227: Test timeout computed to be: 1500
227: 1.68022e+08
227: 1.73149e+08
227: 1.05549e+08
227: 7.20603e+07
227: 1.41535e+08
227: 1.08592e+08
227: 1.11334e+08
227: 2.05553e+08
227: 1.54962e+08
227: 8.08231e+07
227: 5.61421e+07
227: 1.28874e+08
227: 1.59011e+08
227: 8.69902e+07
227: 1.31367e+08
227: 2.27389e+08
227: 1.60289e+08
227: 7.79813e+07
227: 1.61001e+08
227: 2.07599e+08
227: 2.24432e+08
227: 1.39725e+08
227: 2.42614e+08
227: 1.77578e+08
227: 1.05908e+08
227: 9.06742e+07
227: 1.8087e+08
227: 1.98182e+08
227: 2.03052e+08
227: 1.7673e+08
227: 9.32798e+07
227: 1.37969e+08
227: 1.83778e+08
227: 2.1228e+08
227: 5.06157e+07
227: 1.566e+08
227: 2.37142e+08
227: 1.49345e+08
227: 7.05819e+07
227: 1.71633e+08
227: 1.96817e+08
227: 2.18246e+08
227: 9.49496e+07
227: 2.25618e+08
227: 1.30219e+08
216/235 Test #227: testMatCalc ............................ Passed 0.01 sec
test 228
Start 228: pyMatCalc
228: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py"
228: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap
228: Test timeout computed to be: 1500
224: .......
224: ----------------------------------------------------------------------
224: Ran 7 tests in 0.042s
224:
224: OK
224: Testing MIF wrapper
217/235 Test #224: pyMIF .................................. Passed 0.26 sec
test 229
Start 229: testSimDivPickers
229: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/testSimDivPickers
229: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers
229: Test timeout computed to be: 1500
229: [00:53:44] -------------------------------------
229: [00:53:44] Testing github issue 1421: MaxMinPicker picking non-existent element.
229: [00:53:44] Done
229: [00:53:44] -------------------------------------
229: [00:53:44] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour.
229: [00:53:44] Done
218/235 Test #229: testSimDivPickers ...................... Passed 0.04 sec
test 230
Start 230: pickersTestsCatch
230: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/pickersTestsCatch
230: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers
230: Test timeout computed to be: 1500
219/235 Test #198: pyTestThreads .......................... Passed 9.03 sec
test 231
Start 231: pySimDivPickers
231: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/testPickers.py"
231: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap
231: Test timeout computed to be: 1500
231: [00:53:44] the useCache argument is deprecated and ignored
230: Randomness seeded to: 757803969
230: ===============================================================================
230: All tests passed (21267 assertions in 1 test case)
230:
220/235 Test #230: pickersTestsCatch ...................... Passed 0.30 sec
test 232
Start 232: pyRanker
232: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/testRanker.py"
232: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap
232: Test timeout computed to be: 1500
231: ...[00:53:44] the useCache argument is deprecated and ignored
231: [00:53:44] the useCache argument is deprecated and ignored
231: .[00:53:44] the useCache argument is deprecated and ignored
232: ..[00:53:44]
232:
232: ****
232: Invariant Violation
232: Can't rank more bits than the ensemble size
232: Violation occurred on line 156 in file ./Code/ML/InfoTheory/InfoBitRanker.cpp
232: Failed Expression: num <= dp_maskBits->getNumOnBits()
232: ----------
232: Stacktrace:
232: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
232: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
232: 2# RDInfoTheory::InfoBitRanker::getTopN(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitInfoTheory.so.1
232: 3# RDInfoTheory::getTopNbits(RDInfoTheory::InfoBitRanker*, int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
232: 4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDInfoTheory::InfoBitRanker*, int), boost::python::default_call_policies, boost::mpl::vector3<_object*, RDInfoTheory::InfoBitRanker*, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
232: 5# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
232: 6# 0x0000FFFFBAD62680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
232: 7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
232: 8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
232: 9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
232: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
232: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
232: 12# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
232: 13# 0x0000FFFFBAD5F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
232: 14# _PyObject_MakeTpCall in /usr/bin/python3
232: 15# _PyEval_EvalFrameDefault in /usr/bin/python3
232: 16# 0x0000000000531670 in /usr/bin/python3
232: 17# _PyEval_EvalFrameDefault in /usr/bin/python3
232: 18# 0x00000000004AB0F4 in /usr/bin/python3
232: 19# 0x0000000000662B58 in /usr/bin/python3
232: 20# _PyObject_MakeTpCall in /usr/bin/python3
232: 21# _PyEval_EvalFrameDefault in /usr/bin/python3
232: 22# 0x0000000000531670 in /usr/bin/python3
232: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
232: 24# 0x00000000004AB0F4 in /usr/bin/python3
232: 25# 0x0000000000662B58 in /usr/bin/python3
232: 26# _PyObject_MakeTpCall in /usr/bin/python3
232: 27# _PyEval_EvalFrameDefault in /usr/bin/python3
232: 28# 0x0000000000531670 in /usr/bin/python3
232: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
232: 30# 0x00000000004AB0F4 in /usr/bin/python3
232: 31# 0x0000000000662B58 in /usr/bin/python3
232: 32# _PyObject_MakeTpCall in /usr/bin/python3
232: 33# _PyEval_EvalFrameDefault in /usr/bin/python3
232: 34# 0x0000000000503430 in /usr/bin/python3
232: 35# _PyObject_MakeTpCall in /usr/bin/python3
232: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
232: 37# PyEval_EvalCode in /usr/bin/python3
232: 38# 0x00000000005FD91C in /usr/bin/python3
232: 39# 0x00000000005F7E70 in /usr/bin/python3
232: 40# 0x00000000006258F0 in /usr/bin/python3
232: 41# 0x0000000000625034 in /usr/bin/python3
232: 42# 0x0000000000624DCC in /usr/bin/python3
232: 43# Py_RunMain in /usr/bin/python3
232: 44# Py_BytesMain in /usr/bin/python3
232: 45# 0x0000FFFFBC68229C in /lib/aarch64-linux-gnu/libc.so.6
232: 46# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
232: 47# _start in /usr/bin/python3
232: ----------
232: ****
232:
232: ...
232: ----------------------------------------------------------------------
232: Ran 5 tests in 0.013s
232:
232: OK
221/235 Test #232: pyRanker ............................... Passed 0.22 sec
test 233
Start 233: testChemicalFeatures
233: Test command: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/testChemicalFeatures
233: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures
233: Test timeout computed to be: 1500
233: -----------------------------------------
233: Test1
233: Done
222/235 Test #233: testChemicalFeatures ................... Passed 0.01 sec
test 234
Start 234: pyFeatures
234: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/testFeatures.py"
234: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap
234: Test timeout computed to be: 1500
221: Randomness seeded to: 1492275709
221: ===============================================================================
221: All tests passed (203 assertions in 1 test case)
221:
223/235 Test #221: testMolProcessing ...................... Passed 2.00 sec
test 235
Start 235: pythonProjectTests
235: Test command: /usr/bin/python3 "-m" "pytest"
235: Working Directory: /build/reproducible-path/rdkit-202409.6/Projects
235: Test timeout computed to be: 1500
184: ......[00:53:45]
184:
184: ****
184: Pre-condition Violation
184: RingInfo not initialized
184: Violation occurred on line 52 in file ./Code/GraphMol/RingInfo.cpp
184: Failed Expression: df_init
184: ----------
184: Stacktrace:
184: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
184: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
184: 2# RDKit::RingInfo::numAtomRings(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
184: 3# RDKit::AtomRingQuery::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSmilesParse.so.1
184: 4# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
184: 5# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
184: 6# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
184: 7# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
184: 8# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
184: 9# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
184: 10# bool RDKit::SubstructMatch<RDKit::ROMol const, RDKit::ROMol>(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 11# bool RDKit::HasSubstructMatch<RDKit::ROMol const, RDKit::ROMol const>(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 12# 0x0000FFFFB711EB90 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 13# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
184: 14# 0x0000FFFFB8B82680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
184: 15# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
184: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
184: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
184: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
184: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 20# 0x0000FFFFB707B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 21# 0x0000FFFFB707B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 22# 0x0000FFFFB707B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 23# 0x0000FFFFB707B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 24# 0x0000FFFFB707B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
184: 26# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
184: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
184: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
184: 29# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
184: 30# 0x0000FFFFB8B7F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
184: 31# _PyObject_MakeTpCall in /usr/bin/python3
184: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 33# 0x0000000000531670 in /usr/bin/python3
184: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 35# 0x00000000004AB0F4 in /usr/bin/python3
184: 36# 0x0000000000662B58 in /usr/bin/python3
184: 37# _PyObject_MakeTpCall in /usr/bin/python3
184: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 39# 0x0000000000531670 in /usr/bin/python3
184: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 41# 0x00000000004AB0F4 in /usr/bin/python3
184: 42# 0x0000000000662B58 in /usr/bin/python3
184: 43# _PyObject_MakeTpCall in /usr/bin/python3
184: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 45# 0x0000000000531670 in /usr/bin/python3
184: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 47# 0x00000000004AB0F4 in /usr/bin/python3
184: 48# 0x0000000000662B58 in /usr/bin/python3
184: 49# _PyObject_MakeTpCall in /usr/bin/python3
184: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 51# 0x0000000000503430 in /usr/bin/python3
184: 52# _PyObject_MakeTpCall in /usr/bin/python3
184: 53# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 54# PyEval_EvalCode in /usr/bin/python3
184: 55# 0x00000000005FD91C in /usr/bin/python3
184: 56# 0x00000000005F7E70 in /usr/bin/python3
184: 57# 0x00000000006258F0 in /usr/bin/python3
184: 58# 0x0000000000625034 in /usr/bin/python3
184: 59# 0x0000000000624DCC in /usr/bin/python3
184: 60# Py_RunMain in /usr/bin/python3
184: 61# Py_BytesMain in /usr/bin/python3
184: 62# 0x0000FFFFB956229C in /lib/aarch64-linux-gnu/libc.so.6
184: 63# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
184: 64# _start in /usr/bin/python3
184: ----------
184: ****
184:
184: [00:53:45]
184:
184: ****
184: Pre-condition Violation
184: RingInfo not initialized
184: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp
184: Failed Expression: df_init
184: ----------
184: Stacktrace:
184: 0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
184: 1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitRDGeneral.so.1
184: 2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
184: 3# 0x0000FFFFB6BD2FA8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
184: 4# Queries::EqualityQuery<int, RDKit::Bond const*, true>::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitGraphMol.so.1
184: 5# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
184: 6# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
184: 7# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
184: 8# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
184: 9# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
184: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu//lib/libRDKitSubstructMatch.so.1
184: 11# bool RDKit::SubstructMatch<RDKit::ROMol const, RDKit::ROMol>(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 12# bool RDKit::HasSubstructMatch<RDKit::ROMol const, RDKit::ROMol const>(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 13# 0x0000FFFFB711EB90 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 14# boost::python::objects::function::call(_object*, _object*) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
184: 15# 0x0000FFFFB8B82680 in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
184: 16# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
184: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
184: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdmolfiles.so
184: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
184: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 21# 0x0000FFFFB707B360 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 22# 0x0000FFFFB707B2F8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 23# 0x0000FFFFB707B288 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 24# 0x0000FFFFB707B220 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 25# 0x0000FFFFB707B1B8 in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so
184: 26# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
184: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
184: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
184: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu/rdkit/rdBase.so
184: 30# boost::python::handle_exception_impl(boost::function0<void>) in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
184: 31# 0x0000FFFFB8B7F25C in /lib/aarch64-linux-gnu/libboost_python313.so.1.83.0
184: 32# _PyObject_MakeTpCall in /usr/bin/python3
184: 33# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 34# 0x0000000000531670 in /usr/bin/python3
184: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 36# 0x00000000004AB0F4 in /usr/bin/python3
184: 37# 0x0000000000662B58 in /usr/bin/python3
184: 38# _PyObject_MakeTpCall in /usr/bin/python3
184: 39# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 40# 0x0000000000531670 in /usr/bin/python3
184: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 42# 0x00000000004AB0F4 in /usr/bin/python3
184: 43# 0x0000000000662B58 in /usr/bin/python3
184: 44# _PyObject_MakeTpCall in /usr/bin/python3
184: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 46# 0x0000000000531670 in /usr/bin/python3
184: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 48# 0x00000000004AB0F4 in /usr/bin/python3
184: 49# 0x0000000000662B58 in /usr/bin/python3
184: 50# _PyObject_MakeTpCall in /usr/bin/python3
184: 51# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 52# 0x0000000000503430 in /usr/bin/python3
184: 53# _PyObject_MakeTpCall in /usr/bin/python3
184: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
184: 55# PyEval_EvalCode in /usr/bin/python3
184: 56# 0x00000000005FD91C in /usr/bin/python3
184: 57# 0x00000000005F7E70 in /usr/bin/python3
184: 58# 0x00000000006258F0 in /usr/bin/python3
184: 59# 0x0000000000625034 in /usr/bin/python3
184: 60# 0x0000000000624DCC in /usr/bin/python3
184: 61# Py_RunMain in /usr/bin/python3
184: 62# Py_BytesMain in /usr/bin/python3
184: 63# 0x0000FFFFB956229C in /lib/aarch64-linux-gnu/libc.so.6
184: 64# __libc_start_main in /lib/aarch64-linux-gnu/libc.so.6
184: 65# _start in /usr/bin/python3
184: ----------
184: ****
184:
234: ..
234: ----------------------------------------------------------------------
234: Ran 2 tests in 0.001s
234:
234: OK
234: Testing ChemicalFeatures Wrapper code:
224/235 Test #234: pyFeatures ............................. Passed 0.21 sec
228: .....
228: ----------------------------------------------------------------------
228: Ran 5 tests in 0.786s
228:
228: OK
225/235 Test #228: pyMatCalc .............................. Passed 1.00 sec
231: .......
231: ----------------------------------------------------------------------
231: Ran 11 tests in 0.978s
231:
231: OK
226/235 Test #231: pySimDivPickers ........................ Passed 1.19 sec
235: ============================= test session starts ==============================
235: platform linux -- Python 3.13.2, pytest-8.3.4, pluggy-1.5.0
235: rootdir: /build/reproducible-path/rdkit-202409.6/Projects
235: configfile: pytest.ini
235: collected 12 items
235:
146: [00:53:48] done
209: [00:53:48] Explicit valence for atom # 0 Br, 1, is greater than permitted
209: ===============================================================================
209: All tests passed (38344 assertions in 51 test cases)
209:
227/235 Test #209: molStandardizeCatchTest ................ Passed 10.11 sec
184: .............
184: ----------------------------------------------------------------------
184: Ran 19 tests in 19.881s
184:
184: OK
184: Testing atom rings
184: testing bond rings
184: searching atom rings
184: searching bond rings
184: done
228/235 Test #184: pySubstructLibrary ..................... Passed 20.12 sec
146: [00:53:48] ---------------------------------
146: [00:53:48] test github issue 256: handling of zero-atom molecules
146:
146: [00:53:48] ---------------------------------
146: [00:53:48] test embedder callback function
146: [00:53:48] ---------------------------------
146: [00:53:48] test multi-threaded multi-conf embedding
146:
146: [00:53:50] ---------------------------------
146: [00:53:50] test github issue 563: Incorrect ring stereochemistry after embedding
146:
146: CNC[C@H]1CC[C@H](C[NH3+])CC1
146: [00:53:51] ---------------------------------
146: [00:53:51] test github issue 568: Incorrect stereochemistry after embedding
146:
146: C1=NC[C@]2(CN3CC[C@@H]2C3)O1
146: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2
146: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12
146: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21
146: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
146: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
146: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
146: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
146: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
146: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O
146: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21
146: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2
173: Query 3
146: CN1CC[C@H]2COc3c(O)cccc3[C@H]21
146: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2
146: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1
146: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O
146: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O
146: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O
147: [00:53:55] Interrupted, cancelling conformer generation
147: Atoms:
147: 0 6 C chg: 0 deg: 4 exp: 4 imp: 0 hyb: SP3 chi: CCW nbrs:[9 3 1 6]
147: 1 6 C chg: 0 deg: 4 exp: 4 imp: 0 hyb: SP3 chi: CCW nbrs:[0 13 6 7]
147: 2 7 N chg: 0 deg: 3 exp: 3 imp: 0 hyb: SP2 arom?: 1
147: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: SP2
147: 4 7 N chg: 0 deg: 1 exp: 1 imp: 2 hyb: SP3
147: 5 6 C chg: 0 deg: 3 exp: 3 imp: 1 hyb: SP3 chi: CW nbrs:[4 11 7]
147: 6 7 N chg: 0 deg: 2 exp: 2 imp: 0 hyb: SP3 rad: 1
147: 7 7 N chg: 0 deg: 2 exp: 2 imp: 1 hyb: SP3
147: 8 7 N chg: 0 deg: 3 exp: 3 imp: 0 hyb: SP2 arom?: 1
147: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: SP3
147: 10 8 O chg: 0 deg: 1 exp: 2 imp: 0 hyb: SP2
147: 11 7 N chg: 0 deg: 2 exp: 2 imp: 1 hyb: SP2
147: 12 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
147: 13 8 O chg: 0 deg: 1 exp: 1 imp: 0 hyb: SP3 rad: 1
147: Bonds:
147: 0 0->9 order: 1
147: 1 0->3 order: 1
147: 2 1->0 order: 1
147: 3 1->13 order: 1
147: 4 2->8 order: a conj?: 1 aromatic?: 1
147: 5 2->12 order: a conj?: 1 aromatic?: 1
147: 6 3->10 order: 2 conj?: 1
147: 7 3->8 order: 1 conj?: 1
147: 8 5->4 order: 1
147: 9 11->5 order: 1
147: 10 6->1 order: 1
147: 11 6->0 order: 1
147: 12 7->1 order: 1
147: 13 7->5 order: 1
147: 14 8->12 order: a conj?: 1 aromatic?: 1
147: 15 11->2 order: 1 stereo: CCW bonds: (9 4 5) conj?: 1
146: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
147: ===============================================================================
147: All tests passed (12742 assertions in 21 test cases)
147:
229/235 Test #147: distGeomHelpersCatch ................... Passed 42.24 sec
173: Query 4
146: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5
146: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2
146: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5
146: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1
146: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1
235: DbCLI/UnitTestDbCLI.py ............ [100%]
235:
235: =============================== warnings summary ===============================
235: ../obj-aarch64-linux-gnu/rdkit/Chem/MolDb/Loader_sa.py:20
235: /build/reproducible-path/rdkit-202409.6/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)
235: decBase = declarative_base()
235:
235: -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html
235: ======================== 12 passed, 1 warning in 13.13s ========================
146: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1
146: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13
230/235 Test #235: pythonProjectTests ..................... Passed 13.50 sec
146: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12
171: ===============================================================================
171: All tests passed (93 assertions in 5 test cases)
171:
231/235 Test #171: testRascalCluster ...................... Passed 39.23 sec
146: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-]
5: [00:53:59] Finished: testMultipleTimes()
5: [00:53:59]
5: -----------------------------------------
232/235 Test #5: testConcurrentQueue .................... Passed 54.31 sec
146: [00:54:03] Molecule does not have explicit Hs. Consider calling AddHs()
146: [00:53:59] ---------------------------------
146: [00:53:59] test github issue 696: Bad 1-4 bounds matrix elements in highly constrained system
146: [00:53:59] ---------------------------------
146: [00:53:59] More ChEMBL molecules failing bounds smoothing.
146: [00:53:59] ---------------------------------
146: [00:53:59] ugly conformations can be generated for highly constrained ring systems.
146: [00:53:59] ---------------------------------
146: [00:53:59] test embed parameters structure.
146: [00:53:59] ---------------------------------
146: [00:53:59] test github 1227: Hs being used in RMSD filtering.
146: [00:53:59] ---------------------------------
146: [00:53:59] Failure to embed larger aromatic rings.
146: [00:54:00] ---------------------------------
146: [00:54:00] Deterministic with large random seeds
146: [00:54:02] ---------------------------------
146: [00:54:02] Github #1990: seg fault after RemoveHs
146: [00:54:02] ---------------------------------
146: [00:54:02] Github #2246: Use coordMap when starting embedding from random coords
146: [00:54:03] ---------------------------------
146: [00:54:03] Providing a distance bounds matrix.
146: [00:54:03] ---------------------------------
146: [00:54:03] Disabling fragmentation.
146: [00:54:03] ---------------------------------
146: [00:54:03] Using symmetry in conformation pruning.
146: [00:54:03] ---------------------------------
146: [00:54:03] Force trans amides.
146: [00:54:03] ---------------------------------
146: [00:54:03] test missing Hs warning.
146: [00:54:03] ---------------------------------
146: [00:54:03] basic H bond support.
146: [00:54:03] *******************************************************
233/235 Test #146: testDistGeomHelpers .................... Passed 49.81 sec
173: Query 5
170: ===============================================================================
170: All tests passed (3582 assertions in 34 test cases)
170:
234/235 Test #170: testRascalMCES ......................... Passed 49.99 sec
173: ===============================================================================
173: All tests passed (215 assertions in 18 test cases)
173:
235/235 Test #173: testSynthonSpaceSubstructureSearch ..... Passed 54.34 sec
100% tests passed, 0 tests failed out of 235
Total Test time (real) = 71.54 sec
make[2]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
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-202409.6'
dh_auto_install
cd obj-aarch64-linux-gnu && make -j12 install DESTDIR=/build/reproducible-path/rdkit-202409.6/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
make[2]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
/usr/bin/cmake -S/build/reproducible-path/rdkit-202409.6 -B/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
make -f CMakeFiles/Makefile2 preinstall
make[3]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make[3]: Nothing to be done for 'preinstall'.
make[3]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
Install the project...
/usr/bin/cmake -P cmake_install.cmake
-- Install configuration: "None"
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/spiral.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/retest.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/listutils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/fileutils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemutils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemdraw_qax.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemdraw.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/cactvs.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/utils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util/HTMLPiddler.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/testallps.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/pstests.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/pidtest.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/stringformat.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/pid.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/pagesizes.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/formatted-strings.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/colors.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX/pidWxDc.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX/pidWX.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/TK
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/TK/pidTK.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/TK/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG/pidSVG.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab/pidReportLab.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/README
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt/pidQt4.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt/pidQt.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/pidPyart.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/Fontmapping.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/psmetrics.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/pidPS.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/latin1MetricsCache.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/fontinfo.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-8.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-14.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-10.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/removemedium.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/metrics.dat
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pil
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pbm
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pidPIL.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pidPDF.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfutils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfmetrics.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfgeom.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfgen.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfdoc.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/pytest.ini
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/conftest.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Transform.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Supply.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Output.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/demo.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesSupply.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesOutput.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesDupeFilter.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmartsRemover.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmartsMolFilter.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SDSupply.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/DbPickleSupplier.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/DbMolSupply.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Node.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Filter.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/TestRunner.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters/SimilarityPickers.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDRandom.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDLogger.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDConfig.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Numerics
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Numerics/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/files.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring/Scoring.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT/Risk.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MatOps.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils/VoteImg.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/entropy.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/BitRank.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/BitClusterer.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/Parser.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/Descriptors.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/CompoundDescriptors.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/Transforms.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/Stats.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/SplitData.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/Quantize.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/MLData.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/FindQuantBounds.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/DataUtils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/murtagh_test.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Standardize.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Resemblance.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Murtagh.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Clusters.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/ClusterVis.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/ClusterUtils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Butina.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Geometry
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Geometry/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ForceField
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ForceField/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DistanceGeometry
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DistanceGeometry/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/StorageUtils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbUtils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbResultSet.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbModule.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbInfo.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbConnection.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/VectCollection.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/TopNContainer.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/LazySignature.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/HierarchyVis.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitUtils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitEnsembleDb.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitEnsemble.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/Metric
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/Metric/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/inchi.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests/rdkit-structure-renderer.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests/github4823.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests/ChEMBL_quinolones.tsv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs/fmcs.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs/fmcs
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/TorsionFingerprints.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/TemplateAlign.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/MolSupplier.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/DbMolSupplier.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/demoCombined.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/SubshapeObjects.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/SubshapeBuilder.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/SubshapeAligner.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/BuilderUtils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SpacialScore.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum/Enumerator.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ShowMols.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/ScaffoldNetwork.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/MurckoScaffold.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SaltRemover.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SATIS.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/RegistrationHash.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ReducedGraphs.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Recap.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Randomize.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/QED.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PyMol.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PropertyMol.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/ExcludedVolume.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/EmbedLib.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Utils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/SigFactory.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Matcher.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/LazyGenerator.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Generate.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PandasTools.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PandasPatcher.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolSurf.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolStandardize
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolStandardize/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey/MolKey.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey/InchiInfo.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader_sa.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader_orig.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/FingerprintUtils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolCatalog.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MCS.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MACCSkeys.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Lipinski.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Graphs.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/GraphDescriptors.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FunctionalGroups.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fragments.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FragmentMatcher.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FragmentCatalog.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle/FraggleSim.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/SimilarityScreener.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/MolSimilarity.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/FingerprintMols.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/DbFpSupplier.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/ClusterMols.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FilterCatalog.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/ShowFeats.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/FeatDirUtilsRD.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMaps.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapUtils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapPoint.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapParser.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatFinderCLI.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FastSDMolSupplier.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EnumerateStereoisomers.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EnumerateHeterocycles.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/Fingerprinter.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/EState_VSA.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/EState.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/AtomTypes.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/SimilarityMaps.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/MolDrawing.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/InteractiveRenderer.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/IPythonConsole.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/FreeSans.ttf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Descriptors3D.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Descriptors.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/DSViewer.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Crippen.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemicalForceFields.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemicalFeatures.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/TemplateExpand.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/SDFToCSV.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/DescriptorUtilities.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/BulkTester.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/AlignDepict.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/BuildFragmentCatalog.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/BRICS.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Utils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Torsions.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Sheridan.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Pairs.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AllChem.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Avalon
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Avalon/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.trn
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.opt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.chk
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/rddata.sql
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/mols.1000.pkl.gz
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/fps.1000.counts.pkl.gz
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/bench2.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/patty_rules.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Salts.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/RDTests.sqlt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/RDData.sqlt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/wehi_pains.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/wehi_mols.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/test_set3.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/run_tests.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/README.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_5k.tpsa.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_5K.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_200.tpsa.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_200.props.sdf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/FunctionalGroups.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/FragmentDescriptors.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/telex_font_license.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/roboto_regular_license.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/font_dumper.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/amadeus_font_license.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/Telex-Regular.ttf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/Amadeus.ttf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/validate.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Model.dtd
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Crippen.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/BaseFeatures.fdef
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/RD.css
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/compounds.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-example-lactam.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-Tests.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-StereoChemTest.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-RingSubstitution.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-MutipleCores.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GenericCores.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GA.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-DummyCores.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/MolStandardize.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/FingerprintGenerators.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/wiki
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/wiki/morganfp_atomenv1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.inkscape.svg
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.lrg.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.inkscape.svg
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.ai
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_trans_base.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_or2_base.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_cis_base.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_expand.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_base.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_expand.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_base.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_expand.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_base.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_or_base.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_expand.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_base.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/gsocGeneralFileReader.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/SGroups.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/EnhancedStereo.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.jpg
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.ai
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.jpg
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.ai
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/FragmentCatalogs.html
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/CIPLabeling.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/terminology_jp.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_7.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_62.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_6.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_52.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_46.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_45.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_39.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_38.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_36.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_35.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_33.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_32.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_30.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_3.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_29.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_28.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_27.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_25.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_24.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_23.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_22.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_21.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_20.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_19.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_17.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_16.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_15.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_14.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_13.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_12.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_11.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_10.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/introduction_jp.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/index.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/conf.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_database_cartridge_jp.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_Book_jp.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Supplementary_Text_jp.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/RDKit_cookbook_jp.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Makefile
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Installation_jp.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Getting_Started_with_RDKit_in_Python_jp.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Backwards_incompatible_changes_jp.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/An_overview_of_the_RDKit_jp.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInPython.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Install.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/conf.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.spiral.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.listutils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.fileutils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.chemutils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.cactvs.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rdBase.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Transform.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Supply.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Output.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesSupply.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesOutput.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesDupeFilter.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsRemover.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsMolFilter.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SDSupply.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.DbPickleSupplier.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.DbMolSupply.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Node.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Filter.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.TestRunner.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.rdSimDivPickers.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.SimilarityPickers.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDRandom.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDPaths.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDLogger.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDConfig.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rdAlignment.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.files.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.Scoring.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.Risk.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MatOps.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.VoteImg.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rdInfoTheory.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.entropy.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitRank.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitClusterer.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Parser.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.MoleculeDescriptors.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Descriptors.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.CompoundDescriptors.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.cQuantize.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Transforms.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Stats.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.SplitData.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Quantize.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.MLData.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.FindQuantBounds.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.DataUtils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Standardize.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Resemblance.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Murtagh.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Clusters.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Clustering.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterVis.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterUtils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Butina.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rdGeometry.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ForceField.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ForceField.rdForceField.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DistanceGeometry.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DistanceGeometry.DistGeom.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.StorageUtils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbUtils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbResultSet.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbModule.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbInfo.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbConnection.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.cDataStructs.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.VectCollection.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.TopNContainer.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.LazySignature.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitUtils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsembleDb.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsemble.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rdMetricMatrixCalc.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdtrajectory.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdqueries.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolops.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolfiles.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdinchi.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfragcatalog.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfiltercatalog.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdchem.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdTautomerQuery.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSynthonSpaceSearch.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSubstructLibrary.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeHelpers.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeAlign.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSLNParse.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdReducedGraphs.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdRGroupDecomposition.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdPartialCharges.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolTransforms.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolInterchange.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolHash.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolEnumerator.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolDescriptors.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolChemicalFeatures.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolCatalog.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolAlign.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMMPA.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMHFPFingerprint.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFreeSASA.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdForceFieldHelpers.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFingerprintGenerator.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFMCS.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdEHTTools.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDistGeom.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDetermineBonds.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDeprotect.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDepictor.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCoordGen.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemicalFeatures.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemReactions.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCIPLabeler.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdAbbreviations.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.inchi.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.fmcs.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TorsionFingerprints.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TemplateAlign.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.MolSupplier.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.DbMolSupplier.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeObjects.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeBuilder.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeAligner.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.BuilderUtils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SpacialScore.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.Enumerator.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ShowMols.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rdScaffoldNetwork.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.MurckoScaffold.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SaltRemover.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SATIS.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.RegistrationHash.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ReducedGraphs.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Recap.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Randomize.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.QED.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PyMol.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PropertyMol.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.Pharmacophore.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.ExcludedVolume.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.EmbedLib.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Utils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.SigFactory.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Matcher.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Gobbi_Pharm2D.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Generate.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PeriodicTable.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PandasTools.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolSurf.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rdMolStandardize.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.MolKey.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.InchiInfo.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_sa.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_orig.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.FingerprintUtils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolCatalog.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MACCSkeys.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Lipinski.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Graphs.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.GraphDescriptors.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FunctionalGroups.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fragments.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentMatcher.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentCatalog.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fraggle.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fraggle.FraggleSim.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.SimilarityScreener.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.MolSimilarity.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.FingerprintMols.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.DbFpSupplier.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.ClusterMols.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FilterCatalog.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.ShowFeats.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.FeatDirUtilsRD.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMaps.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapUtils.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapPoint.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapParser.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatFinderCLI.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FastSDMolSupplier.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateStereoisomers.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateHeterocycles.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.Fingerprinter.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.EState_VSA.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.EState.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.AtomTypes.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2DQt.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2D.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.SimilarityMaps.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.MolDrawing.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.IPythonConsole.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors3D.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Crippen.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalForceFields.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalFeatures.rst
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-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.DescriptorUtilities.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.BulkTester.rst
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-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_5.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_4.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_3.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/indole1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid_aligned.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example5.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example4.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example3.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_3.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_3.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_annotation_1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/ary_group.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_8_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im6.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im5.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im4.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im3.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_3_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_39_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_38_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im2.svg
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_35_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_29_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im5.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im3.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im2.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im0.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molG.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molF.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molE.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molD.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molC.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molB.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molA.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/Cc1ccccc1.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/exts
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/exts/extapi.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/test_multi_colours.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.train.sdf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.test.sdf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/s1p_chembldoc89753.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/invalid.mol
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/input.mol
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/chiral.mol
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/cdk2.sdf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.sdf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf.gz
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/README.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/MinimalFeatures.fdef
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/AmideBond.rxn
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/5ht3ligs.sdf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/api-docs.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/RDKit_Book.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Overview.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Makefile
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedWithContributing.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInC++.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Cookbook.rst
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Cartridge.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example9.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example8.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example7.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example6.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example5.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example4.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example3.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example2.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example17.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example16.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example15.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example14.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example13.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example12.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example11.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example10.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example1.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/FindMyRDKit.cmake
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/CMakeLists.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/BackwardsIncompatibleChanges.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/UFF Parameters.ods
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/ForceFieldTerms.new.odt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/README
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_Correlation.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_CorrMat.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_Correlation.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_CorrMat.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_Correlation.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_CorrMat.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/readme.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.html
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/test_rfrag.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/search_mmp_db.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/rfrag.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/mol_transform.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/indexing.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/simple.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_transfroms.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks_mol_trans.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smiles_mol_trans.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mol_trans_output.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym_maxheavy.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxratio.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxheavy.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_default.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_fragmented.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_smarts_output.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_output.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_smart_output.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_output.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_smi_output.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans_smarts.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs_smarts.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_smi.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_cansmirks.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/create_mmp_db.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/cansmirk.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/README.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/readme.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/fraggle.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query_fragmentation.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/fragmentation_tversky_out
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/final_fraggle_results.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/ChEMBL_11265_actives.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/cxn_tversky.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/atomcontrib.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/try_efgs.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/efgs.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/ch33query.sql
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/README.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/sascorer.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/fpscores.pkl.gz
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data/zim.100.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/build_sascore_db.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/UnitTestSAScore.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/README
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/utils.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/identifyReactants.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/README.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/testData
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.sdf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.out
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/pbf.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/demo.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/README
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/Makefile
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/publicnp.model.gz
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/npscorer.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/README
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/filterExamples.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100_out.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/assignSubstructureFilters.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/SubstructureFilter_HitTriaging_wPubChemExamples.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/README.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/FilterSet_NIBR2019_wPubChemExamples.html
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/MolVS
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/MolVS/molvs_cli.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/README
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/Frames.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/BaseFeatures_DIP2_NoMicrospecies.fdef
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/README.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePredict.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePlot.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/CreateFps.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/ClusterFps.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/AddLabels.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/IFG
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/IFG/ifg.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/IFG/README
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare/glare.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare/README.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test/test_freewilson.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/setup.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/requirements.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/pytest.ini
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/freewilson.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_scaffold.mol
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_act.csv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/README.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/sdf2smi.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/converted.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/cdk2.sdf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fp.tsv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fastcluster.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered_parse.tsv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered.tsv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/centroid.tsv
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/cdk2.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/README.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/test.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/testConformerParser.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/CMakeLists.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/CMakeLists.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/README.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/ChiralDescriptors.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/N15.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/JVE.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/BEG.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/AKI.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/6c83_complex.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/5dpv_complex.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/1C9.png
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/lig_crystal_aligned.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_3w2p_1C9_pH74_netcharge1.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_SKE_pH74_netcharge1.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_N15_pH74_netcharge1.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_JVE_pH74_netcharge1.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_AKI_pH74_netcharge1.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_ACP_pH74_netcharge1.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/crystal_aligned.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/aurka_protein_2c6e.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_renamed.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_crystal_aligned_1.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/N15_renamed.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/JVE_renamed.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/BEG_test.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/AKI_renamed.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_renamed.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_2.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_1.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/6c83.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dt0.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dpv.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4uzh_JVE.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i24_1C9.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i23_1C9.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3w2c_N15.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3m11_AKI.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1d4i_BEG.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1C9_renamed.pdb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/README.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/Examples_CalcLigRMSD.ipynb
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/CalcLigRMSD.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CMakeLists.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity/AtomAtomPathSimilarity.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache/stepwise
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache/nodeids
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/CACHEDIR.TAG
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/.gitignore
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/README.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/pytest.ini
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/UnitTestDbCLI.cpython-313-pytest-8.3.4.pyc
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/SearchDb.cpython-313.pyc
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/CreateDb.cpython-313.pyc
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Descriptors.sqlt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Compounds.sqlt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Fingerprints.sqlt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/AtomPairs.sqlt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/loadErrors.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr_q1.mol
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.sdf
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.2.smi
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/README
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/moe_like.dsc
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/UnitTestDbCLI.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/SearchDb.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/CreateDb.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/test.sh
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/clang_worker.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/__main__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/worker.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__main__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__init__.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/create_deb_packages.sh
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/README.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/PythonFormat.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/FeatFinderCLI.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/README.md
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/license.txt
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDInchiLib.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDInchiLib.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDInchiLib.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/inchi.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdinchi.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/CoordGen.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdCoordGen.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitga.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitga.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitga.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDGeneral.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDGeneral.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDGeneral.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/Exceptions.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/BadFileException.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/BoostStartInclude.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/BoostEndInclude.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/ControlCHandler.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/Dict.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/FileParseException.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/Invariant.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/RDAny.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/RDValue.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/RDValue-doublemagic.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/RDValue-taggedunion.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/RDLog.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/RDProps.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/RDThreads.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/StreamOps.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/types.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/utils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/versions.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/RDConfig.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/LocaleSwitcher.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/Ranking.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hanoiSort.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/RDExportMacros.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/export.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/test.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/ConcurrentQueue.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash.hpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/extensions.hpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/hash_float.hpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/float_functions.hpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDBoost.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDBoost.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDBoost.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDBoost/Wrap.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDBoost/PySequenceHolder.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDBoost/list_indexing_suite.hpp
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDBoost/python.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDBoost/boost_numpy.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDBoost/python_streambuf.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDBoost/pyint_api.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/rdBase.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDStreams.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDStreams.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDStreams.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDStreams/streams.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDataStructs.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDataStructs.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDataStructs.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/base64.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/BitOps.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/BitVect.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/BitVects.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/BitVectUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/DatastructsException.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/DatastructsStreamOps.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/DiscreteDistMat.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/DiscreteValueVect.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/RealValueVect.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/ExplicitBitVect.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/SparseBitVect.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/SparseIntVect.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/FPBReader.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataStructs/MultiFPBReader.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/cDataStructs.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDGeometryLib.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDGeometryLib.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDGeometryLib.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Geometry/Grid3D.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Geometry/GridUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Geometry/point.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Geometry/Transform2D.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Geometry/Transform3D.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Geometry/Transform.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Geometry/UniformGrid3D.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Geometry/UniformRealValueGrid3D.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Geometry/Utils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Geometry/rdGeometry.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitAlignment.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitAlignment.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitAlignment.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Numerics/Alignment/AlignPoints.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Numerics/rdAlignment.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitEigenSolvers.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitEigenSolvers.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitEigenSolvers.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Numerics/EigenSolvers/PowerEigenSolver.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitOptimizer.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitOptimizer.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitOptimizer.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Numerics/Optimizer/BFGSOpt.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Numerics/Matrix.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Numerics/SquareMatrix.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Numerics/SymmMatrix.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Numerics/Vector.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Numerics/Conrec.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitForceField.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitForceField.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitForceField.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/Contrib.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/ForceField.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/AngleConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/AngleConstraints.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/DistanceConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/DistanceConstraints.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/PositionConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/TorsionConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/AngleBend.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/BondStretch.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/Contribs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/DistanceConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/AngleConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/TorsionConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/PositionConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/Nonbonded.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/Params.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/Utils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/Inversion.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/Inversions.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/UFF/TorsionAngle.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/AngleBend.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/BondStretch.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/StretchBend.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/OopBend.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/TorsionAngle.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/Nonbonded.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/Contribs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/DistanceConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/AngleConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/TorsionConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/PositionConstraint.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ForceField/MMFF/Params.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ForceField/rdForceField.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDistGeometry.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDistGeometry.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDistGeometry.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DistGeom/BoundsMatrix.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DistGeom/ChiralSet.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DistGeom/ChiralViolationContrib.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DistGeom/ChiralViolationContribs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DistGeom/DistGeomUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DistGeom/DistViolationContrib.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DistGeom/DistViolationContribs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DistGeom/FourthDimContrib.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DistGeom/FourthDimContribs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DistGeom/TriangleSmooth.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DistanceGeometry/DistGeom.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitCatalogs.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitCatalogs.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitCatalogs.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Catalogs/CatalogEntry.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Catalogs/Catalog.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Catalogs/CatalogParams.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitGraphMol.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitGraphMol.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitGraphMol.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Atom.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/atomic_data.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/AtomIterators.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Atropisomers.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Bond.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/BondIterators.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Canon.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Chirality.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Conformer.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/details.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/GraphMol.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolOps.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolPickler.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/PeriodicTable.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/QueryAtom.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/QueryBond.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/QueryOps.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/RDKitBase.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/RDKitQueries.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Resonance.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/RingInfo.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Rings.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ROMol.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/RWMol.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SanitException.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SubstanceGroup.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/StereoGroup.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MonomerInfo.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/new_canon.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolBundle.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSmilesParse.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSmilesParse.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSmilesParse.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmartsWrite.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParse.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesWrite.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/CanonicalizeStereoGroups.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDepictor.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDepictor.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDepictor.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Depictor/DepictUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Depictor/EmbeddedFrag.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Depictor/RDDepictor.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdDepictor.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMarvinParser.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMarvinParser.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMarvinParser.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MarvinParse/MarvinParser.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFileParsers.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFileParsers.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFileParsers.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/CDXMLParser.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParsers.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParserUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolFileStereochem.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileWriters.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolSupplier.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolSupplier.v1API.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolWriters.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/SequenceParsers.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/SequenceWriters.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/GeneralFileReader.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedMolSupplier.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MultithreadedSDMolSupplier.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/PNGParser.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSubstructMatch.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSubstructMatch.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSubstructMatch.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Substruct/SubstructMatch.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Substruct/SubstructUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitGenericGroups.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitGenericGroups.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitGenericGroups.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/GenericGroups/GenericGroups.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitChemReactions.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitChemReactions.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitChemReactions.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Reaction.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionParser.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionPickler.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionFingerprints.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/ReactionRunner.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/PreprocessRxn.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/SanitizeRxn.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/Enumerate.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateBase.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/CartesianProduct.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSample.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdChemReactions.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitChemTransforms.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitChemTransforms.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitChemTransforms.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/ChemTransforms.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/MolFragmenter.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitTautomerQuery.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitTautomerQuery.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitTautomerQuery.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/TautomerQuery/TautomerQuery.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdTautomerQuery.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSubgraphs.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSubgraphs.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSubgraphs.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Subgraphs/Subgraphs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Subgraphs/SubgraphUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFilterCatalog.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFilterCatalog.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFilterCatalog.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalogEntry.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterCatalog.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterMatcherBase.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterMatchers.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdfiltercatalog.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFragCatalog.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFragCatalog.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFragCatalog.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogEntry.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatGenerator.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatParams.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdfragcatalog.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDescriptors.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDescriptors.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDescriptors.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Crippen.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/BCUT.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Lipinski.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolDescriptors.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolSurf.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/ConnectivityDescriptors.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MQN.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/RegisterDescriptor.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Property.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AUTOCORR2D.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Data3Ddescriptors.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolData3Ddescriptors.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/USRDescriptor.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AtomFeat.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/OxidationNumbers.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/DCLV.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MolDescriptors3D.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/EEM.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/PBF.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/PMI.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/AUTOCORR3D.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/RDF.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/MORSE.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/GETAWAY.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/WHIM.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/CoulombMat.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMolDescriptors.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFingerprints.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFingerprints.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFingerprints.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/AtomPairs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/Fingerprints.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MorganFingerprints.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MACCS.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MHFP.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/FingerprintGenerator.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/AtomPairGenerator.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/MorganGenerator.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/RDKitFPGenerator.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/TopologicalTorsionGenerator.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Fingerprints/FingerprintUtil.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdFingerprintGenerator.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMHFPFingerprint.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitPartialCharges.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitPartialCharges.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitPartialCharges.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/PartialCharges/GasteigerCharges.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/PartialCharges/GasteigerParams.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdPartialCharges.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolTransforms.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolTransforms.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolTransforms.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolTransforms/MolTransforms.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMolTransforms.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitForceFieldHelpers.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/FFConvenience.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/Builder.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/UFF/UFF.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/Builder.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/MMFF.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdForceFieldHelpers.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/Embedder.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdDistGeom.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolAlign.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolAlign.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolAlign.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitO3AAlign.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitO3AAlign.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitO3AAlign.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/AlignMolecules.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMolAlign.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMolChemicalFeatures.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitShapeHelpers.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitShapeHelpers.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitShapeHelpers.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ShapeHelpers/ShapeEncoder.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ShapeHelpers/ShapeUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdShapeHelpers.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolCatalog.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolCatalog.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolCatalog.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalogEntry.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalog.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolCatalog/MolCatalogParams.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMolCatalog.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2Dwx.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DHelpers.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolDraw2D.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolDraw2D.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolDraw2D.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolDraw2D/MolDraw2DCairo.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/rdMolDraw2D.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFMCS.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFMCS.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitFMCS.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FMCS/FMCS.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/FMCS/Graph.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdFMCS.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolHash.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolHash.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolHash.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolHash/MolHash.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolHash/nmmolhash.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMolHash.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMMPA.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMMPA.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMMPA.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MMPA/MMPA.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMMPA.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRascalMCES.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRascalMCES.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRascalMCES.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalMCES.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalOptions.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalClusterOptions.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/RascalMCES/RascalResult.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdRascalMCES.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSynthonSpaceSearch.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpace.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSet.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/Synthon.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SearchResults.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdSynthonSpaceSearch.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitCIPLabeler.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitCIPLabeler.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitCIPLabeler.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/CIPLabeler/CIPLabeler.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/CIPLabeler/TooManyNodesException.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdCIPLabeler.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDeprotect.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDeprotect.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitDeprotect.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Deprotect/Deprotect.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdDeprotect.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitReducedGraphs.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitReducedGraphs.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitReducedGraphs.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ReducedGraphs/ReducedGraphs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdReducedGraphs.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitTrajectory.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitTrajectory.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitTrajectory.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Trajectory/Snapshot.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Trajectory/Trajectory.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSubstructLibrary.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/PatternFactory.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdSubstructLibrary.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecomp.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/RGroupDecomposition/RGroupDecompParams.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdRGroupDecomposition.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolInterchange.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolInterchange.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolInterchange.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolInterchange/MolInterchange.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolInterchange/details.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMolInterchange.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSLNParse.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSLNParse.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSLNParse.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNAttribs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNParse.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/SLNParse/SLNParseOps.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdSLNParse.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdchem.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdmolops.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdqueries.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdmolfiles.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdtrajectory.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolStandardize.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolStandardize.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolStandardize.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Pipeline.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/MolStandardize.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Metal.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Normalize.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Validate.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Charge.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Tautomer.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/Fragment.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolStandardize/rdMolStandardize.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolEnumerator.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/MolEnumerator.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/LinkNode.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMolEnumerator.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitAbbreviations.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitAbbreviations.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitAbbreviations.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/Abbreviations/Abbreviations.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdAbbreviations.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/GeneralizedSubstruct/XQMol.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdGeneralizedSubstruct.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolProcessing.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolProcessing.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolProcessing.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolProcessing/MolProcessing.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMolProcessing.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolInteractionFields.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolInteractionFields.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitMolInteractionFields.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/GraphMol/MolInteractionFields/MIFDescriptors.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/rdMIF.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/AndQuery.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/EqualityQuery.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/GreaterEqualQuery.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/GreaterQuery.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/LessEqualQuery.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/LessQuery.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/NullQueryAlgebra.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/OrQuery.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/Query.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/QueryObjects.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/RangeQuery.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/SetQuery.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Query/XOrQuery.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/Features/Feature.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricMatrixCalc.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitSimDivPickers.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/SimDivPickers/DistPicker.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/SimDivPickers/LeaderPicker.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/SimDivPickers/HierarchicalClusterPicker.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/SimDivPickers/MaxMinPicker.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters/rdSimDivPickers.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKithc.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKithc.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKithc.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Clustering.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitInfoTheory.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitInfoTheory.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitInfoTheory.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/rdInfoTheory.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/cQuantize.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1.2024.09.6
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitChemicalFeatures.so
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ChemicalFeatures/ChemicalFeature.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/ChemicalFeatures/FreeChemicalFeature.h
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/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-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDPaths.py
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets.cmake
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets-none.cmake
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/cmake/rdkit/rdkit-config.cmake
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/cmake/rdkit/rdkit-config-version.cmake
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-targets.cmake
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-targets-none.cmake
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-config.cmake
-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/cmake/rdkitpython/rdkitpython-config-version.cmake
make[2]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-aarch64-linux-gnu'
make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
debian/rules override_dh_install
make[1]: Entering directory '/build/reproducible-path/rdkit-202409.6'
mkdir -p /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3
mv /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3/dist-packages
rm -f -rf /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13
ln -sf /usr/share/fonts/truetype/freefont/FreeSans.ttf /build/reproducible-path/rdkit-202409.6/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-202409.6/debian/tmp/usr/lib/python3/dist-packages/rdkit/docs/
rm -f -rf /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/__pycache__
dh_numpy3
Possible precedence issue with control flow operator (return) at /usr/bin/dh_numpy3 line 57.
Can't stat debian/librdkit1t64: No such file or directory
at /usr/bin/dh_numpy3 line 85.
dh_numpy3: warning: skipping binary package librdkit1t64 which does not depend on the NumPy C ABI
Can't stat debian/librdkit-dev: No such file or directory
at /usr/bin/dh_numpy3 line 85.
dh_numpy3: warning: skipping binary package librdkit-dev which does not depend on the NumPy C ABI
Can't stat debian/postgresql-17-rdkit: No such file or directory
at /usr/bin/dh_numpy3 line 85.
dh_numpy3: warning: skipping binary package postgresql-17-rdkit which does not depend on the NumPy C ABI
dh_install
for v in $(pg_buildext supported-versions); do \
mkdir -p debian/postgresql-$v-rdkit/usr/lib/postgresql/$v/lib/ debian/postgresql-$v-rdkit/usr/share/postgresql/$v/extension/; \
cp Code/PgSQL/rdkit/build-$v/librdkit.so debian/postgresql-$v-rdkit/usr/lib/postgresql/$v/lib/rdkit.so; \
cp Code/PgSQL/rdkit/build-$v/rdkit*.sql debian/postgresql-$v-rdkit/usr/share/postgresql/$v/extension/; \
cp Code/PgSQL/rdkit/build-$v/update_sql/rdkit*.sql debian/postgresql-$v-rdkit/usr/share/postgresql/$v/extension/; \
cp Code/PgSQL/rdkit/rdkit.control debian/postgresql-$v-rdkit/usr/share/postgresql/$v/extension/; \
done
mkdir -p /build/reproducible-path/rdkit-202409.6/debian/rdkit-doc/usr/share/doc/rdkit/
# cp /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/RDKit.pdf /build/reproducible-path/rdkit-202409.6/debian/rdkit-doc/usr/share/doc/rdkit/
cp -a /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html /build/reproducible-path/rdkit-202409.6/debian/rdkit-doc/usr/share/doc/rdkit/
ln -sf /usr/share/javascript/jquery/jquery.js /build/reproducible-path/rdkit-202409.6/debian/rdkit-doc/usr/share/doc/rdkit//html/cppapi/jquery.js
ln -sf /usr/share/javascript/jquery/jquery.js /build/reproducible-path/rdkit-202409.6/debian/rdkit-doc/usr/share/doc/rdkit//html/_static/jquery.js
ln -sf /usr/share/javascript/underscore/underscore.js /build/reproducible-path/rdkit-202409.6/debian/rdkit-doc/usr/share/doc/rdkit//html/_static/underscore.js
make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
dh_installdocs -O--buildsystem=cmake
debian/rules override_dh_installchangelogs
make[1]: Entering directory '/build/reproducible-path/rdkit-202409.6'
dh_installchangelogs ReleaseNotes.md
make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
debian/rules override_dh_python3
make[1]: Entering directory '/build/reproducible-path/rdkit-202409.6'
dh_python3 -ppython3-rdkit
I: dh_python3 fs:421: renaming rdBase.so to rdBase.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdAbbreviations.so to rdAbbreviations.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdCIPLabeler.so to rdCIPLabeler.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdChemReactions.so to rdChemReactions.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdChemicalFeatures.so to rdChemicalFeatures.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdCoordGen.so to rdCoordGen.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdDepictor.so to rdDepictor.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdDeprotect.so to rdDeprotect.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdDistGeom.so to rdDistGeom.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdFMCS.so to rdFMCS.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdFingerprintGenerator.so to rdFingerprintGenerator.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdForceFieldHelpers.so to rdForceFieldHelpers.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdGeneralizedSubstruct.so to rdGeneralizedSubstruct.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMHFPFingerprint.so to rdMHFPFingerprint.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMIF.so to rdMIF.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMMPA.so to rdMMPA.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMolAlign.so to rdMolAlign.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMolCatalog.so to rdMolCatalog.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMolChemicalFeatures.so to rdMolChemicalFeatures.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMolDescriptors.so to rdMolDescriptors.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMolEnumerator.so to rdMolEnumerator.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMolHash.so to rdMolHash.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMolInterchange.so to rdMolInterchange.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMolProcessing.so to rdMolProcessing.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMolTransforms.so to rdMolTransforms.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdPartialCharges.so to rdPartialCharges.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdRGroupDecomposition.so to rdRGroupDecomposition.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdRascalMCES.so to rdRascalMCES.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdReducedGraphs.so to rdReducedGraphs.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdSLNParse.so to rdSLNParse.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdShapeHelpers.so to rdShapeHelpers.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdSubstructLibrary.so to rdSubstructLibrary.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdSynthonSpaceSearch.so to rdSynthonSpaceSearch.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdTautomerQuery.so to rdTautomerQuery.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdchem.so to rdchem.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdfiltercatalog.so to rdfiltercatalog.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdfragcatalog.so to rdfragcatalog.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdinchi.so to rdinchi.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdmolfiles.so to rdmolfiles.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdmolops.so to rdmolops.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdqueries.so to rdqueries.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdtrajectory.so to rdtrajectory.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMolDraw2D.so to rdMolDraw2D.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMolStandardize.so to rdMolStandardize.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdScaffoldNetwork.so to rdScaffoldNetwork.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdMetricMatrixCalc.so to rdMetricMatrixCalc.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming cDataStructs.so to cDataStructs.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming DistGeom.so to DistGeom.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdForceField.so to rdForceField.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdGeometry.so to rdGeometry.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming Clustering.so to Clustering.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming cQuantize.so to cQuantize.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdInfoTheory.so to rdInfoTheory.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdAlignment.so to rdAlignment.cpython-313-aarch64-linux-gnu.so
I: dh_python3 fs:421: renaming rdSimDivPickers.so to rdSimDivPickers.cpython-313-aarch64-linux-gnu.so
dh_numpy3 -ppython3-rdkit
Possible precedence issue with control flow operator (return) at /usr/bin/dh_numpy3 line 57.
make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
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-202409.6'
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/GettingStartedWithContributing.md exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/Install.md exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/Makefile exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/Overview.md exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/RDKit_Book.rst exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/api-docs.rst exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/conf.py exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/data/5ht3ligs.sdf exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/data/AmideBond.rxn exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/data/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_15_im0.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_15_im1.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im2.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_20_im0.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_20_im1.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im0.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im2.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im3.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im5.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_22_im0.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png exists in debian/tmp but is not 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 installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_34_im2.png exists in debian/tmp but is not installed to anywhere
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dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_12.png exists in debian/tmp but is not installed to anywhere
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dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_14.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_15.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_16.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_17.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_19.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_2.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_20.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_21.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_22.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_23.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_24.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_25.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_27.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_28.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_29.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_3.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_30.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_32.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_33.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_35.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_36.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_38.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_39.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_45.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_46.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_52.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_6.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_62.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_7.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Book_jp/terminology_jp.rst exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/CIPLabeling.md exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/FragmentCatalogs.html exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.ai exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.jpg exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.ai exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.jpg exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/EnhancedStereo.md exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/SGroups.md exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/gsocGeneralFileReader.md exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_base.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_expand.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_or_base.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_base.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_expand.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_base.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_expand.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_base.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_expand.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_cis_base.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_or2_base.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_trans_base.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Images/logo.ai exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Images/logo.inkscape.svg exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Images/logo.lrg.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Images/logo.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Images/logo_plain.inkscape.svg exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Images/logo_plain.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Images/wiki/morganfp_atomenv1.png exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Notebooks/FingerprintGenerators.ipynb exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Notebooks/MolStandardize.ipynb exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-DummyCores.ipynb exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GA.ipynb exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GenericCores.ipynb exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-MutipleCores.ipynb exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-RingSubstitution.ipynb exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-StereoChemTest.ipynb exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-Tests.ipynb exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-example-lactam.ipynb exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/Notebooks/compounds.txt exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Docs/RD.css exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/README.md exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Scripts/FeatFinderCLI.py exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Scripts/PythonFormat.py exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Scripts/README.md exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Scripts/create_deb_packages.sh exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Scripts/gen_rdkit_stubs/__init__.py exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Scripts/gen_rdkit_stubs/__main__.py exists in debian/tmp but is not installed to anywhere
dh_missing: warning: usr/share/RDKit/Scripts/gen_rdkit_stubs/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 (64), librdkit1t64 (124), 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-202409.6'
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: debian/postgresql-17-rdkit/usr/lib/postgresql/17/lib/rdkit.so contains an unresolvable reference to symbol CurrentMemoryContext: it's probably a plugin
dpkg-shlibdeps: warning: 24 other similar warnings have been skipped (use -v to see them all)
dpkg-shlibdeps: warning: symbol PyExc_RuntimeError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
dpkg-shlibdeps: warning: symbol PyLong_FromLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
dpkg-shlibdeps: warning: symbol _Py_Dealloc used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
dpkg-shlibdeps: warning: symbol PyObject_CallFunction used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
dpkg-shlibdeps: warning: symbol _Py_NoneStruct used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
dpkg-shlibdeps: warning: symbol PyExc_IndexError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
dpkg-shlibdeps: warning: symbol PyObject_IsTrue used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
dpkg-shlibdeps: warning: symbol PyLong_FromUnsignedLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
dpkg-shlibdeps: warning: symbol PyExc_KeyError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
dpkg-shlibdeps: warning: symbol PyExc_ValueError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
dpkg-shlibdeps: warning: 2 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-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: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
dpkg-gencontrol: warning: Depends field of package rdkit-data: substitution variable ${shlibs:Depends} used, but is not defined
dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
dh_md5sums -O--buildsystem=cmake
dh_builddeb -O--buildsystem=cmake
dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202409.6-2_arm64.deb'.
dpkg-deb: building package 'librdkit1t64-dbgsym' in '../librdkit1t64-dbgsym_202409.6-2_arm64.deb'.
dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202409.6-2_all.deb'.
dpkg-deb: building package 'rdkit-doc' in '../rdkit-doc_202409.6-2_all.deb'.
dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202409.6-2_arm64.deb'.
dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202409.6-2_arm64.deb'.
dpkg-deb: building package 'librdkit-dev' in '../librdkit-dev_202409.6-2_arm64.deb'.
dpkg-deb: building package 'postgresql-17-rdkit' in '../postgresql-17-rdkit_202409.6-2_arm64.deb'.
dpkg-deb: building package 'postgresql-17-rdkit-dbgsym' in '../postgresql-17-rdkit-dbgsym_202409.6-2_arm64.deb'.
dpkg-genbuildinfo --build=binary -O../rdkit_202409.6-2_arm64.buildinfo
dpkg-genchanges --build=binary -O../rdkit_202409.6-2_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/3079180 and its subdirectories
I: Current time: Thu Apr 23 00:57:00 -12 2026
I: pbuilder-time-stamp: 1776949020
Fri Mar 21 06:34:11 UTC 2025 I: 1st build successful. Starting 2nd build on remote node codethink04-arm64.debian.net.
Fri Mar 21 06:34:11 UTC 2025 I: Preparing to do remote build '2' on codethink04-arm64.debian.net.
Fri Mar 21 07:04:10 UTC 2025 I: Deleting $TMPDIR on codethink04-arm64.debian.net.
Fri Mar 21 07:04:10 UTC 2025 I: rdkit_202409.6-2_arm64.changes:
Format: 1.8
Date: Sun, 09 Mar 2025 11:04:30 +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: 202409.6-2
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
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
Changes:
rdkit (202409.6-2) unstable; urgency=medium
.
* debian/patches/disable_riscv64_timeout_tests.patch: New patch, disables two
tests that time out on the riscv64 autobuilders.
Checksums-Sha1:
6e9365f4c05375af823831d9691605dcc1864420 474984 librdkit-dev_202409.6-2_arm64.deb
1308318a5e9133ad5e35413e408d24f8fc292606 115927048 librdkit1t64-dbgsym_202409.6-2_arm64.deb
1795643ffae19b6845518d7329b9908dbeee2ef5 4817068 librdkit1t64_202409.6-2_arm64.deb
f576b75fc956b51b001a8e2d1f0336f1bd75d927 1159352 postgresql-17-rdkit-dbgsym_202409.6-2_arm64.deb
beda7bfaca914e4927f2dee2dd053a67bf30c8cc 241628 postgresql-17-rdkit_202409.6-2_arm64.deb
93982f5c39704fcb0e8ba667e021aa26fe90f900 61581556 python3-rdkit-dbgsym_202409.6-2_arm64.deb
1de6ef14f04d5200d80a929bfdeaeb3edab672c6 4332672 python3-rdkit_202409.6-2_arm64.deb
ea89c70c8aec74dd16ddd623739a1b586e207f0f 13173336 rdkit-data_202409.6-2_all.deb
5f01f1b0f3b20ad4efc3cecbc7d0faf222ac81af 6890156 rdkit-doc_202409.6-2_all.deb
7c33ac199975f15e5f2a228c6704a16728cd1c07 18320 rdkit_202409.6-2_arm64.buildinfo
Checksums-Sha256:
875d9653fa6e4f0d72ea06a547eef7a71a07df222d52528e5373f308af99edf0 474984 librdkit-dev_202409.6-2_arm64.deb
1f14d1bb326a693f4e7c1e2f7058d2db7291bdc605dc82b8b99e286153018c79 115927048 librdkit1t64-dbgsym_202409.6-2_arm64.deb
56dafa2184ba9f72c0b74cbccc63a22458373acc2a0cee05bf3d87a84d108595 4817068 librdkit1t64_202409.6-2_arm64.deb
7731771b026f9decfd8aaf5620e13608ac125dec20a4d7baa05954b7a7a7c460 1159352 postgresql-17-rdkit-dbgsym_202409.6-2_arm64.deb
30b4887957dde4c957fb570157a5d2026f8f63a40e8e235b5c926926bcbc1df9 241628 postgresql-17-rdkit_202409.6-2_arm64.deb
3c6782ba4d0efd2a93332889b4ef0b623d93034cc921782cba890af1c673ed86 61581556 python3-rdkit-dbgsym_202409.6-2_arm64.deb
8e5cfb57301ba9516ab55769cb3ab03ffbed556f87ef0c7fba5877f3f6585139 4332672 python3-rdkit_202409.6-2_arm64.deb
4570b2ed3da68a8f34ad45baccecc4cc3766ed6360deb8ccb8c77c51cf154a9d 13173336 rdkit-data_202409.6-2_all.deb
ebf007738fd1b10cbcc784b344286db76e20f06be16f6f82ee427da9a98060da 6890156 rdkit-doc_202409.6-2_all.deb
8a025b21dac23c86c0c0951b9aa4a9af41089dfd16e4ed359ad99f2cf32e32da 18320 rdkit_202409.6-2_arm64.buildinfo
Files:
9784e35975f5b460bab4acc5351902a7 474984 libdevel optional librdkit-dev_202409.6-2_arm64.deb
6d5b9e627005bf3921d690c1aeb23d91 115927048 debug optional librdkit1t64-dbgsym_202409.6-2_arm64.deb
72a6fa387125c503aa0032c609b2f341 4817068 libs optional librdkit1t64_202409.6-2_arm64.deb
0257ede62ec3b3d00af40e004f052aab 1159352 debug optional postgresql-17-rdkit-dbgsym_202409.6-2_arm64.deb
62d08b22ed6536ac09e1c8a4d2bbde01 241628 database optional postgresql-17-rdkit_202409.6-2_arm64.deb
042cd2a014a92dffb0df528641877d15 61581556 debug optional python3-rdkit-dbgsym_202409.6-2_arm64.deb
fd762b62fbc3f12a5f0cd732d6f20b75 4332672 python optional python3-rdkit_202409.6-2_arm64.deb
a0c40389ed3c82872baa5b74478a1511 13173336 science optional rdkit-data_202409.6-2_all.deb
24e2ea37a57141ec13847b82c1d5af2f 6890156 doc optional rdkit-doc_202409.6-2_all.deb
5cc804a9912cd87b4a65b8c0833c69d0 18320 science optional rdkit_202409.6-2_arm64.buildinfo
Fri Mar 21 07:04:12 UTC 2025 I: diffoscope 289 will be used to compare the two builds:
Running as unit: rb-diffoscope-arm64_3-83263.service
# Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.5NJGtXVK/rdkit_202409.6-2.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.5NJGtXVK/rdkit_202409.6-2.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.5NJGtXVK/rdkit_202409.6-2.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.5NJGtXVK/b1/rdkit_202409.6-2_arm64.changes /srv/reproducible-results/rbuild-debian/r-b-build.5NJGtXVK/b2/rdkit_202409.6-2_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 diffoscope.comparators.binary.FilesystemFile
## main (total time: 0.003s)
0.003s 2 calls outputs
0.000s 1 call cleanup
Finished with result: success
Main processes terminated with: code=exited/status=0
Service runtime: 226ms
CPU time consumed: 226ms
Fri Mar 21 07:04:13 UTC 2025 I: diffoscope 289 found no differences in the changes files, and a .buildinfo file also exists.
Fri Mar 21 07:04:13 UTC 2025 I: rdkit from trixie built successfully and reproducibly on arm64.
Fri Mar 21 07:04:14 UTC 2025 I: Submitting .buildinfo files to external archives:
Fri Mar 21 07:04:14 UTC 2025 I: Submitting 20K b1/rdkit_202409.6-2_arm64.buildinfo.asc
Fri Mar 21 07:04:15 UTC 2025 I: Submitting 20K b2/rdkit_202409.6-2_arm64.buildinfo.asc
Fri Mar 21 07:04:17 UTC 2025 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit.
Fri Mar 21 07:04:17 UTC 2025 I: Done submitting .buildinfo files.
Fri Mar 21 07:04:17 UTC 2025 I: Removing signed rdkit_202409.6-2_arm64.buildinfo.asc files:
removed './b1/rdkit_202409.6-2_arm64.buildinfo.asc'
removed './b2/rdkit_202409.6-2_arm64.buildinfo.asc'