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mtzgroup/bigchem-worker : 0.6.3

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

Ubuntu 22.04.2 LTS

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

JSON

Dependencies

ubuntu/adduser 3.118ubuntu5
ubuntu/apt 2.4.9
ubuntu/base-files 12ubuntu4.3
ubuntu/base-passwd 3.5.52build1
ubuntu/bash 5.1-6ubuntu1
ubuntu/binutils-common 2.38-4ubuntu2.3
ubuntu/binutils-x86-64-linux-gnu 2.38-4ubuntu2.3
ubuntu/binutils 2.38-4ubuntu2.3
ubuntu/bsdutils 1:2.37.2-4ubuntu3
ubuntu/coreutils 8.32-4.1ubuntu1
ubuntu/cpp-11 11.4.0-1ubuntu1~22.04
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 1.21.1ubuntu2.2
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 11.4.0-1ubuntu1~22.04
ubuntu/gcc-11 11.4.0-1ubuntu1~22.04
ubuntu/gcc-12-base 12.3.0-1ubuntu1~22.04
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 2.4.9
ubuntu/libasan6 11.4.0-1ubuntu1~22.04
ubuntu/libatomic1 12.3.0-1ubuntu1~22.04
ubuntu/libattr1 1:2.5.1-1build1
ubuntu/libaudit-common 1:3.0.7-1build1
ubuntu/libaudit1 1:3.0.7-1build1
ubuntu/libbinutils 2.38-4ubuntu2.3
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 1:2.44-1ubuntu0.22.04.1
ubuntu/libcc1-0 12.3.0-1ubuntu1~22.04
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 2.38-4ubuntu2.3
ubuntu/libctf0 2.38-4ubuntu2.3
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-1ubuntu0.2
ubuntu/libgcc-11-dev 11.4.0-1ubuntu1~22.04
ubuntu/libgcc-s1 12.3.0-1ubuntu1~22.04
ubuntu/libgcrypt20 1.9.4-3ubuntu3
ubuntu/libgd3 2.3.0-2ubuntu2
ubuntu/libgmp10 2:6.2.1 dfsg-3ubuntu1
ubuntu/libgnutls30 3.7.3-4ubuntu1.2
ubuntu/libgomp1 12.3.0-1ubuntu1~22.04
ubuntu/libgpg-error0 1.43-3
ubuntu/libgssapi-krb5-2 1.19.2-2ubuntu0.2
ubuntu/libhogweed6 3.7.3-1build2
ubuntu/libidn2-0 2.3.2-2build1
ubuntu/libisl23 0.24-2build1
ubuntu/libitm1 12.3.0-1ubuntu1~22.04
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 1.19.2-2ubuntu0.2
ubuntu/libkeyutils1 1.6.1-2ubuntu3
ubuntu/libkrb5-3 1.19.2-2ubuntu0.2
ubuntu/libkrb5support0 1.19.2-2ubuntu0.2
ubuntu/liblsan0 12.3.0-1ubuntu1~22.04
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 6.3-2ubuntu0.1
ubuntu/libncursesw6 6.3-2ubuntu0.1
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 1.4.0-11ubuntu2.3
ubuntu/libpam-modules 1.4.0-11ubuntu2.3
ubuntu/libpam-runtime 1.4.0-11ubuntu2.3
ubuntu/libpam0g 1.4.0-11ubuntu2.3
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 3.10.12-1~22.04.2
ubuntu/libpython3.10-minimal 3.10.12-1~22.04.2
ubuntu/libpython3.10-stdlib 3.10.12-1~22.04.2
ubuntu/libpython3.10 3.10.12-1~22.04.2
ubuntu/libquadmath0 12.3.0-1ubuntu1~22.04
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 3.0.2-0ubuntu1.10
ubuntu/libstdc 6 12.3.0-1ubuntu1~22.04
ubuntu/libsystemd0 249.11-0ubuntu3.9
ubuntu/libtasn1-6 4.18.0-4build1
ubuntu/libtiff5 4.3.0-6ubuntu0.5
ubuntu/libtinfo6 6.3-2ubuntu0.1
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 11.4.0-1ubuntu1~22.04
ubuntu/libubsan1 12.3.0-1ubuntu1~22.04
ubuntu/libudev1 249.11-0ubuntu3.9
ubuntu/libunistring2 1.0-1
ubuntu/libuuid1 2.37.2-4ubuntu3
ubuntu/libwebp7 1.2.2-2ubuntu0.22.04.1
ubuntu/libx11-6 2:1.7.5-1ubuntu0.2
ubuntu/libx11-data 2:1.7.5-1ubuntu0.2
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 5.15.0-83.92
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 6.3-2ubuntu0.1
ubuntu/ncurses-bin 6.3-2ubuntu0.1
ubuntu/passwd 1:4.8.1-2ubuntu2.1
ubuntu/perl-base 5.34.0-3ubuntu1.2
ubuntu/procps 2:3.3.17-6ubuntu2
ubuntu/python3-dev 3.10.6-1~22.04
ubuntu/python3-distutils 3.10.8-1~22.04
ubuntu/python3-lib2to3 3.10.8-1~22.04
ubuntu/python3-minimal 3.10.6-1~22.04
ubuntu/python3.10-dev 3.10.12-1~22.04.2
ubuntu/python3.10-minimal 3.10.12-1~22.04.2
ubuntu/python3.10 3.10.12-1~22.04.2
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-1ubuntu0.1.22.04.1
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

bash 5.1.16
openssl 3.1.3
python 3.11.5

js 1.0.0

amqp 5.1.1
annotated-types 0.5.0
async-timeout 4.0.3
backports-zoneinfo 0.2.1
bcrypt 4.0.1
billiard 4.1.0
black 23.7.0
boto3 1.28.40
botocore 1.31.40
celery 5.3.1
cffi 1.15.1
cfgv 3.4.0
click-didyoumean 0.3.0
click-plugins 1.1.1
click-repl 0.3.0
click 8.1.7
colorama 0.4.6
coverage 7.3.0
cryptography 41.0.3
distlib 0.3.7
exceptiongroup 1.1.3
filelock 3.12.3
geometric 1.0.1
identify 2.5.27
iniconfig 2.0.0
isort 5.12.0
jmespath 1.0.1
kombu 5.3.2
mypy-extensions 1.0.0
mypy 1.5.1
networkx 3.1
nodeenv 1.8.0
numpy 1.24.4
packaging 23.1
paramiko 3.3.1
pathspec 0.11.2
pint 0.21.1
platformdirs 3.10.0
pluggy 1.3.0
pre-commit 2.21.0
prompt-toolkit 3.0.39
psutil 5.9.5
py-cpuinfo 9.0.0
pycparser 2.21
pydantic-core 2.6.3
pydantic-settings 2.0.3
pydantic 2.3.0
pynacl 1.5.0
pytest-cov 3.0.0
pytest-timeout 2.1.0
pytest 7.4.1
python-dateutil 2.8.2
python-dotenv 1.0.0
pyyaml 6.0.1
qcelemental 0.26.0
qcengine 0.28.1
qcio 0.7.1
qcop 0.4.7
qcparse 0.5.2
redis 5.0.0
ruff 0.0.278
s3transfer 0.6.2
setuptools 68.1.2
six 1.16.0
toml 0.10.2
tomli 2.0.1
types-paramiko 3.3.0.0
typing-extensions 4.7.1
tzdata 2023.3
urllib3 1.26.16
vine 5.0.0
virtualenv 20.24.4
wcwidth 0.2.6