dockerymh/hmtpbsa : gmx_openmpi_patch

Latest release: almost 4 years ago - 261 downloads - 218 dependencies

JSON

Dependencies

debian/libcbor0 0.5.0 dfsg-2
debian/libcom-err2 1.46.2-2
debian/libcrypt1 1:4.4.18-4
debian/libcurl3-gnutls 7.74.0-1.3 deb11u1
debian/libdb5.3 5.3.28 dfsg1-0.8
debian/libdebconfclient0 0.260
debian/libedit2 3.1-20191231-2 b1
debian/liberror-perl 0.17029-1
debian/libexpat1 2.2.10-2 deb11u3
debian/libext2fs2 1.46.2-2
debian/libffi7 3.3-6
debian/libfido2-1 1.6.0-2
debian/libgcc-s1 10.2.1-6
debian/libgcrypt20 1.8.7-6
debian/libgdbm-compat4 1.19-2
debian/libgdbm6 1.19-2
debian/libglib2.0-0 2.66.8-1
debian/libgmp10 2:6.2.1 dfsg-1 deb11u1
debian/libgnutls30 3.7.1-5
debian/libgpg-error0 1.38-2
debian/libgssapi-krb5-2 1.18.3-6 deb11u1
debian/libhogweed6 3.7.3-1
debian/libice6 2:1.0.10-1
debian/libidn2-0 2.3.0-5
debian/libk5crypto3 1.18.3-6 deb11u1
debian/libkeyutils1 1.6.1-2
debian/libkrb5-3 1.18.3-6 deb11u1
debian/libkrb5support0 1.18.3-6 deb11u1
debian/libldap-2.4-2 2.4.57 dfsg-3 deb11u1
debian/liblz4-1 1.9.3-2
debian/liblzma5 5.2.5-2.1~deb11u1
debian/libmd0 1.0.3-3
debian/libmount1 2.36.1-8 deb11u1
debian/libmpdec3 2.5.1-1
debian/libncurses6 6.2 20201114-2
debian/libncursesw6 6.2 20201114-2
debian/libnettle8 3.7.3-1
debian/libnghttp2-14 1.43.0-1
debian/libnsl2 1.3.0-2
debian/libp11-kit0 0.23.22-1
debian/libpam-modules-bin 1.4.0-9 deb11u1
debian/libpam-modules 1.4.0-9 deb11u1
debian/libpam-runtime 1.4.0-9 deb11u1
debian/libpam0g 1.4.0-9 deb11u1
debian/libpcre2-8-0 10.36-2
debian/libpcre3 2:8.39-13
debian/libperl5.32 5.32.1-4 deb11u2
debian/libprocps8 2:3.3.17-5
debian/libpsl5 0.21.0-1.2
debian/libpython3-stdlib 3.9.2-3
debian/libpython3.9-minimal 3.9.2-1
debian/libpython3.9-stdlib 3.9.2-1
debian/libreadline8 8.1-1
debian/librtmp1 2.4 20151223.gitfa8646d.1-2 b2
debian/libsasl2-2 2.1.27 dfsg-2.1 deb11u1
debian/libsasl2-modules-db 2.1.27 dfsg-2.1 deb11u1
debian/libseccomp2 2.5.1-1 deb11u1
debian/libselinux1 3.1-3
debian/libsemanage-common 3.1-1
debian/libsemanage1 3.1-1 b2
debian/libsepol1 3.1-1
debian/libserf-1-1 1.3.9-10
debian/libsm6 2:1.2.3-1
debian/libsmartcols1 2.36.1-8 deb11u1
debian/libsqlite3-0 3.34.1-3
debian/libss2 1.46.2-2
debian/libssh2-1 1.9.0-2
debian/libssl1.1 1.1.1n-0 deb11u2
debian/libstdc 6 10.2.1-6
debian/libsvn1 1.14.1-3 deb11u1
debian/libsystemd0 247.3-7
debian/libtasn1-6 4.16.0-2
debian/libtinfo6 6.2 20201114-2
debian/libtirpc-common 1.3.1-1
debian/libtirpc3 1.3.1-1
debian/libudev1 247.3-7
debian/libunistring2 0.9.10-4
debian/libutf8proc2 2.5.0-1
debian/libuuid1 2.36.1-8 deb11u1
debian/libx11-6 2:1.7.2-1
debian/libx11-data 2:1.7.2-1
debian/libxau6 1:1.0.9-1
debian/libxcb1 1.14-3
debian/libxdmcp6 1:1.1.2-3
debian/libxext6 2:1.3.3-1.1
debian/libxrender1 1:0.9.10-1
debian/libxxhash0 0.8.0-2
debian/libzstd1 1.4.8 dfsg-2.1
debian/login 1:4.8.1-1
debian/logsave 1.46.2-2
debian/lsb-base 11.1.0
debian/mawk 1.3.4.20200120-2
debian/media-types 4.0.0
debian/mercurial-common 5.6.1-4
debian/mercurial 5.6.1-4
debian/mount 2.36.1-8 deb11u1
debian/ncurses-base 6.2 20201114-2
debian/ncurses-bin 6.2 20201114-2
debian/openssh-client 1:8.4p1-5
debian/openssl 1.1.1n-0 deb11u2
debian/passwd 1:4.8.1-1
debian/perl-base 5.32.1-4 deb11u2
debian/perl-modules-5.32 5.32.1-4 deb11u2
debian/perl 5.32.1-4 deb11u2
debian/procps 2:3.3.17-5
debian/python3-minimal 3.9.2-3
debian/python3.9-minimal 3.9.2-1
debian/python3.9 3.9.2-1
debian/python3 3.9.2-3
debian/readline-common 8.1-1
debian/sed 4.7-1
debian/sensible-utils 0.0.14
debian/subversion 1.14.1-3 deb11u1
debian/sysvinit-utils 2.96-7 deb11u1
debian/tar 1.34 dfsg-1
debian/tzdata 2021a-1 deb11u3
debian/ucf 3.0043
debian/util-linux 2.36.1-8 deb11u1
debian/wget 1.21-1 deb11u1
debian/x11-common 1:7.7 22
debian/zlib1g 1:1.2.11.dfsg-2 deb11u1
debian/adduser 3.118
debian/apt 2.2.4
debian/base-files 11.1 deb11u3
debian/base-passwd 3.5.51
debian/bash 5.1-2 b3
debian/bsdutils 1:2.36.1-8 deb11u1
debian/bzip2 1.0.8-4
debian/ca-certificates 20210119
debian/coreutils 8.32-4 b1
debian/dash 0.5.11 git20200708 dd9ef66-5
debian/debconf 1.5.77
debian/debian-archive-keyring 2021.1.1
debian/debianutils 4.11.2
debian/diffutils 1:3.7-5
debian/dpkg 1.20.10
debian/e2fsprogs 1.46.2-2
debian/findutils 4.8.0-1
debian/gcc-10-base 10.2.1-6
debian/gcc-9-base 9.3.0-22
debian/git-man 1:2.30.2-1
debian/git 1:2.30.2-1
debian/gpgv 2.2.27-2 deb11u1
debian/grep 3.6-1
debian/gzip 1.10-4 deb11u1
debian/hostname 3.23
debian/init-system-helpers 1.60
debian/libacl1 2.2.53-10
debian/libapr1 1.7.0-6 deb11u1
debian/libaprutil1 1.6.1-5
debian/libapt-pkg6.0 2.2.4
debian/libattr1 1:2.4.48-6
debian/libaudit-common 1:3.0-2
debian/libaudit1 1:3.0-2
debian/libblkid1 2.36.1-8 deb11u1
debian/libbrotli1 1.0.9-2 b2
debian/libbsd0 0.11.3-1
debian/libbz2-1.0 1.0.8-4
debian/libc-bin 2.31-13 deb11u3
debian/libc6 2.31-13 deb11u3
debian/libcap-ng0 0.7.9-2.2 b1

python 3.9.12
python 3.9.13

js 1.0.0

AmberUtils 21.0
Cython 0.29.32
ParmEd 3.4.3
Pillow 9.2.0
PySocks 1.7.1
acpype 2020.10.24.12.16
brotlipy 0.7.0
certifi 2021.10.8
certifi 2022.6.15
cffi 1.15.0
charset-normalizer 2.0.4
colorama 0.4.4
conda-content-trust 0 unknown
conda-package-handling 1.8.1
conda 4.12.0
cryptography 36.0.0
cycler 0.11.0
fonttools 4.36.0
gmx-MMPBSA 1.5.6
idna 3.3
kiwisolver 1.4.4
lickit 0.1.0
matplotlib 3.5.3
mercurial 5.6.1
mpi4py 3.1.3
munkres 1.1.4
mypy 0.931
numpy 1.23.2
packaging 21.3
packmol-memgen 1.2.1rc0
pandas 1.4.3
pdb4amber 20.1
pip 21.2.4
pip 22.2.2
pyOpenSSL 22.0.0
pycosat 0.6.3
pycparser 2.21
pydata-sphinx-theme 0.9.0
pyparsing 3.0.9
python-dateutil 2.8.2
pytraj 2.0.6
pytz 2022.2.1
requests 2.27.1
ruamel-yaml-conda 0.15.100
sander 16.0
scipy 1.9.0
seaborn 0.12.0
setuptools 61.2.0
setuptools 65.2.0
six 1.16.0
tqdm 4.63.0
unicodedata2 14.0.0
urllib3 1.26.8
wheel 0.37.1

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dockerymh/hmtpbsa : gmx_openmpi_patch

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