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mtzgroup/bigchem-worker : latest

Worker image for BigChem. Contains BigChem task and algorithms and quantum chemistry packages.

Ubuntu 22.04.1 LTS

Latest release: about 1 year ago - 895 downloads - 260 dependencies

JSON

Dependencies

ubuntu/adduser 3.118ubuntu5
ubuntu/apt 2.4.8
ubuntu/base-files 12ubuntu4.2
ubuntu/base-passwd 3.5.52build1
ubuntu/bash 5.1-6ubuntu1
ubuntu/binutils-common 2.38-4ubuntu2.1
ubuntu/binutils-x86-64-linux-gnu 2.38-4ubuntu2.1
ubuntu/binutils 2.38-4ubuntu2.1
ubuntu/bsdutils 1:2.37.2-4ubuntu3
ubuntu/coreutils 8.32-4.1ubuntu1
ubuntu/cpp-11 11.3.0-1ubuntu1~22.04
ubuntu/cpp 4:11.2.0-1ubuntu1
ubuntu/dash 0.5.11 git20210903 057cd650a4ed-3build1
ubuntu/debconf 1.5.79ubuntu1
ubuntu/debianutils 5.5-1ubuntu2
ubuntu/diffutils 1:3.8-0ubuntu2
ubuntu/dpkg 1.21.1ubuntu2.1
ubuntu/e2fsprogs 1.46.5-2ubuntu1.1
ubuntu/findutils 4.8.0-1ubuntu3
ubuntu/fontconfig-config 2.13.1-4.2ubuntu5
ubuntu/fonts-dejavu-core 2.37-2build1
ubuntu/gcc-11-base 11.3.0-1ubuntu1~22.04
ubuntu/gcc-11 11.3.0-1ubuntu1~22.04
ubuntu/gcc-12-base 12.1.0-2ubuntu1~22.04
ubuntu/gcc 4:11.2.0-1ubuntu1
ubuntu/gpgv 2.2.27-3ubuntu2.1
ubuntu/grep 3.7-1build1
ubuntu/gzip 1.10-4ubuntu4.1
ubuntu/hostname 3.23ubuntu2
ubuntu/init-system-helpers 1.62
ubuntu/javascript-common 11 nmu1
ubuntu/libacl1 2.3.1-1
ubuntu/libapt-pkg6.0 2.4.8
ubuntu/libasan6 11.3.0-1ubuntu1~22.04
ubuntu/libatomic1 12.1.0-2ubuntu1~22.04
ubuntu/libattr1 1:2.5.1-1build1
ubuntu/libaudit-common 1:3.0.7-1build1
ubuntu/libaudit1 1:3.0.7-1build1
ubuntu/libbinutils 2.38-4ubuntu2.1
ubuntu/libblkid1 2.37.2-4ubuntu3
ubuntu/libbrotli1 1.0.9-2build6
ubuntu/libbsd0 0.11.5-1
ubuntu/libbz2-1.0 1.0.8-5build1
ubuntu/libc-bin 2.35-0ubuntu3.1
ubuntu/libc-dev-bin 2.35-0ubuntu3.1
ubuntu/libc-devtools 2.35-0ubuntu3.1
ubuntu/libc6-dev 2.35-0ubuntu3.1
ubuntu/libc6 2.35-0ubuntu3.1
ubuntu/libcap-ng0 0.7.9-2.2build3
ubuntu/libcap2 1:2.44-1build3
ubuntu/libcc1-0 12.1.0-2ubuntu1~22.04
ubuntu/libcom-err2 1.46.5-2ubuntu1.1
ubuntu/libcrypt-dev 1:4.4.27-1
ubuntu/libcrypt1 1:4.4.27-1
ubuntu/libctf-nobfd0 2.38-4ubuntu2.1
ubuntu/libctf0 2.38-4ubuntu2.1
ubuntu/libdb5.3 5.3.28 dfsg1-0.8ubuntu3
ubuntu/libdebconfclient0 0.261ubuntu1
ubuntu/libdeflate0 1.10-2
ubuntu/libexpat1-dev 2.4.7-1ubuntu0.2
ubuntu/libexpat1 2.4.7-1ubuntu0.2
ubuntu/libext2fs2 1.46.5-2ubuntu1.1
ubuntu/libffi8 3.4.2-4
ubuntu/libfontconfig1 2.13.1-4.2ubuntu5
ubuntu/libfreetype6 2.11.1 dfsg-1ubuntu0.1
ubuntu/libgcc-11-dev 11.3.0-1ubuntu1~22.04
ubuntu/libgcc-s1 12.1.0-2ubuntu1~22.04
ubuntu/libgcrypt20 1.9.4-3ubuntu3
ubuntu/libgd3 2.3.0-2ubuntu2
ubuntu/libgmp10 2:6.2.1 dfsg-3ubuntu1
ubuntu/libgnutls30 3.7.3-4ubuntu1.1
ubuntu/libgomp1 12.1.0-2ubuntu1~22.04
ubuntu/libgpg-error0 1.43-3
ubuntu/libgssapi-krb5-2 1.19.2-2ubuntu0.1
ubuntu/libhogweed6 3.7.3-1build2
ubuntu/libidn2-0 2.3.2-2build1
ubuntu/libisl23 0.24-2build1
ubuntu/libitm1 12.1.0-2ubuntu1~22.04
ubuntu/libjbig0 2.1-3.1ubuntu0.22.04.1
ubuntu/libjpeg-turbo8 2.1.2-0ubuntu1
ubuntu/libjpeg8 8c-2ubuntu10
ubuntu/libjs-jquery 3.6.0 dfsg ~3.5.13-1
ubuntu/libjs-sphinxdoc 4.3.2-1
ubuntu/libjs-underscore 1.13.2~dfsg-2
ubuntu/libk5crypto3 1.19.2-2ubuntu0.1
ubuntu/libkeyutils1 1.6.1-2ubuntu3
ubuntu/libkrb5-3 1.19.2-2ubuntu0.1
ubuntu/libkrb5support0 1.19.2-2ubuntu0.1
ubuntu/liblsan0 12.1.0-2ubuntu1~22.04
ubuntu/liblz4-1 1.9.3-2build2
ubuntu/liblzma5 5.2.5-2ubuntu1
ubuntu/libmd0 1.0.4-1build1
ubuntu/libmount1 2.37.2-4ubuntu3
ubuntu/libmpc3 1.2.1-2build1
ubuntu/libmpdec3 2.5.1-2build2
ubuntu/libmpfr6 4.1.0-3build3
ubuntu/libncurses6 6.3-2
ubuntu/libncursesw6 6.3-2
ubuntu/libnettle8 3.7.3-1build2
ubuntu/libnsl-dev 1.3.0-2build2
ubuntu/libnsl2 1.3.0-2build2
ubuntu/libp11-kit0 0.24.0-6build1
ubuntu/libpam-modules-bin 1.4.0-11ubuntu2.1
ubuntu/libpam-modules 1.4.0-11ubuntu2.1
ubuntu/libpam-runtime 1.4.0-11ubuntu2.1
ubuntu/libpam0g 1.4.0-11ubuntu2.1
ubuntu/libpcre2-8-0 10.39-3ubuntu0.1
ubuntu/libpcre3 2:8.39-13ubuntu0.22.04.1
ubuntu/libpng16-16 1.6.37-3build5
ubuntu/libprocps8 2:3.3.17-6ubuntu2
ubuntu/libpython3-dev 3.10.6-1~22.04
ubuntu/libpython3-stdlib 3.10.6-1~22.04
ubuntu/libpython3.10-dev 3.10.6-1~22.04.2
ubuntu/libpython3.10-minimal 3.10.6-1~22.04.2
ubuntu/libpython3.10-stdlib 3.10.6-1~22.04.2
ubuntu/libpython3.10 3.10.6-1~22.04.2
ubuntu/libquadmath0 12.1.0-2ubuntu1~22.04
ubuntu/libreadline8 8.1.2-1
ubuntu/libseccomp2 2.5.3-2ubuntu2
ubuntu/libselinux1 3.3-1build2
ubuntu/libsemanage-common 3.3-1build2
ubuntu/libsemanage2 3.3-1build2
ubuntu/libsepol2 3.3-1build1
ubuntu/libsmartcols1 2.37.2-4ubuntu3
ubuntu/libsqlite3-0 3.37.2-2ubuntu0.1
ubuntu/libss2 1.46.5-2ubuntu1.1
ubuntu/libssl3 3.0.2-0ubuntu1.7
ubuntu/libstdc 6 12.1.0-2ubuntu1~22.04
ubuntu/libsystemd0 249.11-0ubuntu3.6
ubuntu/libtasn1-6 4.18.0-4build1
ubuntu/libtiff5 4.3.0-6ubuntu0.3
ubuntu/libtinfo6 6.3-2
ubuntu/libtirpc-common 1.3.2-2ubuntu0.1
ubuntu/libtirpc-dev 1.3.2-2ubuntu0.1
ubuntu/libtirpc3 1.3.2-2ubuntu0.1
ubuntu/libtsan0 11.3.0-1ubuntu1~22.04
ubuntu/libubsan1 12.1.0-2ubuntu1~22.04
ubuntu/libudev1 249.11-0ubuntu3.6
ubuntu/libunistring2 1.0-1
ubuntu/libuuid1 2.37.2-4ubuntu3
ubuntu/libwebp7 1.2.2-2
ubuntu/libx11-6 2:1.7.5-1
ubuntu/libx11-data 2:1.7.5-1
ubuntu/libxau6 1:1.0.9-1build5
ubuntu/libxcb1 1.14-3ubuntu3
ubuntu/libxdmcp6 1:1.1.3-0ubuntu5
ubuntu/libxpm4 1:3.5.12-1ubuntu0.22.04.1
ubuntu/libxxhash0 0.8.1-1
ubuntu/libzstd1 1.4.8 dfsg-3build1
ubuntu/linux-libc-dev 5.15.0-58.64
ubuntu/login 1:4.8.1-2ubuntu2.1
ubuntu/logsave 1.46.5-2ubuntu1.1
ubuntu/lsb-base 11.1.0ubuntu4
ubuntu/manpages-dev 5.10-1ubuntu1
ubuntu/manpages 5.10-1ubuntu1
ubuntu/mawk 1.3.4.20200120-3
ubuntu/media-types 7.0.0
ubuntu/mount 2.37.2-4ubuntu3
ubuntu/ncurses-base 6.3-2
ubuntu/ncurses-bin 6.3-2
ubuntu/passwd 1:4.8.1-2ubuntu2.1
ubuntu/perl-base 5.34.0-3ubuntu1.1
ubuntu/procps 2:3.3.17-6ubuntu2
ubuntu/python3-dev 3.10.6-1~22.04
ubuntu/python3-distutils 3.10.6-1~22.04
ubuntu/python3-lib2to3 3.10.6-1~22.04
ubuntu/python3-minimal 3.10.6-1~22.04
ubuntu/python3.10-dev 3.10.6-1~22.04.2
ubuntu/python3.10-minimal 3.10.6-1~22.04.2
ubuntu/python3.10 3.10.6-1~22.04.2
ubuntu/python3 3.10.6-1~22.04
ubuntu/readline-common 8.1.2-1
ubuntu/rpcsvc-proto 1.4.2-0ubuntu6
ubuntu/sed 4.8-1ubuntu2
ubuntu/sensible-utils 0.0.17
ubuntu/sysvinit-utils 3.01-1ubuntu1
ubuntu/tar 1.34 dfsg-1build3
ubuntu/ubuntu-keyring 2021.03.26
ubuntu/ucf 3.0043
ubuntu/usrmerge 25ubuntu2
ubuntu/util-linux 2.37.2-4ubuntu3
ubuntu/zlib1g-dev 1:1.2.11.dfsg-2ubuntu9.2
ubuntu/zlib1g 1:1.2.11.dfsg-2ubuntu9.2

python 3.10.6
python 3.9.15

CacheControl 0.12.11
OptKing 0.2.1
Pillow 9.2.0
Pint 0.18
PyYAML 6.0
SQLAlchemy 1.4.27
SecretStorage 3.3.3
amqp 5.1.1
anyio 3.6.2
async-timeout 4.0.2
attrs 21.4.0
attrs 22.2.0
autoflake 1.7.8
beautifulsoup4 4.11.2
billiard 3.6.4.0
black 22.12.0
cached-property 1.5.2
celery 5.2.7
certifi 2022.12.7
cffi 1.15.1
cfgv 3.3.1
charset-normalizer 3.0.1
cleo 2.0.1
click-didyoumean 0.3.0
click-plugins 1.1.1
click-repl 0.2.0
click 8.1.3
colorama 0.4.4
colorama 0.4.6
coverage 7.1.0
crashtest 0.4.1
cryptography 39.0.1
cycler 0.11.0
distlib 0.3.6
dulwich 0.20.50
exceptiongroup 1.1.0
filelock 3.9.0
flake8 4.0.1
fonttools 4.25.0
geometric 1.0
google 1.9.3
greenlet 1.1.1
h11 0.14.0
html5lib 1.1
httpcore 0.16.3
httpx 0.23.3
identify 2.5.17
idna 3.4
importlib-metadata 4.13.0
importlib-metadata 4.2.0
importlib-resources 5.2.0
iniconfig 2.0.0
isort 5.11.5
jaraco.classes 3.2.3
jeepney 0.8.0
jsonschema 4.17.3
keyring 23.13.1
kiwisolver 1.4.2
kombu 5.2.4
lockfile 0.12.2
matplotlib 3.4.3
mccabe 0.6.1
mkl-service 2.4.0
more-itertools 9.0.0
msgpack 1.0.2
munkres 1.1.4
mypy-extensions 0.4.3
mypy 0.770
mypy 0.961
networkx 2.6.3
nodeenv 1.7.0
numpy 1.21.1
packaging 23.0
pandas 1.5.1
pathspec 0.11.0
pexpect 4.8.0
pint 0.18
pip 23.0.1
pkginfo 1.9.6
platformdirs 2.6.2
pluggy 1.0.0
poetry-core 1.4.0
poetry-plugin-export 1.3.0
poetry 1.3.1
pre-commit 2.21.0
prompt-toolkit 3.0.36
protobuf 3.20.1
psutil 5.9.4
ptyprocess 0.7.0
py-cpuinfo 9.0.0
pyberny 0.6.3
pycairo 1.23.0
pycodestyle 2.8.0
pycparser 2.21
pydantic 1.10.4
pyflakes 2.4.0
pyparsing 3.0.9
pyrsistent 0.19.3
pytest-cov 3.0.0
pytest-timeout 2.1.0
pytest 7.2.1
python-dateutil 2.8.2
python-dotenv 0.21.1
pytz 2022.7.1
pyyaml 6.0
qcelemental 0.25.1
qcengine 0.26.0
rapidfuzz 2.13.7
redis 4.4.2
reportlab 3.6.12
requests-toolbelt 0.10.1
requests 2.28.2
rfc3986 1.5.0
scipy 1.5.3
setuptools 63.4.1
setuptools 67.1.0
shellingham 1.5.0.post1
six 1.16.0
sniffio 1.3.0
soupsieve 2.3.2.post1
tcpb 0.13.0
tomli 2.0.1
tomlkit 0.11.6
tornado 6.1
trove-classifiers 2023.2.20
typed-ast 1.5.4
typing-extensions 4.4.0
typing_extensions 4.4.0
urllib3 1.26.14
vine 5.0.0
virtualenv 20.16.2
virtualenv 20.19.0
wcwidth 0.2.6
webencodings 0.5.1
wheel 0.37.1
xtb-python 20.1
zipp 3.12.0
zipp 3.6.0