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Add some GROMACS versions (#31264)

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* gromacs: add recent version

* gromacs-swaxs: add recent versions

* gromacs-chain-coordinate: add recent version
This commit is contained in:
Maciej Wójcik 2022-06-23 23:53:32 +02:00 committed by GitHub
parent 2363aba710
commit 8cc62ef916
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GPG Key ID: 4AEE18F83AFDEB23
3 changed files with 20 additions and 5 deletions
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10
var/spack/repos/builtin/packages/gromacs-chain-coordinate/package.py
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@ -14,15 +14,17 @@ class GromacsChainCoordinate(Gromacs):
"""
homepage = 'https://gitlab.com/cbjh/gromacs-chain-coordinate/-/blob/main/README.md'
url = 'https://gitlab.com/cbjh/gromacs-chain-coordinate/-/archive/release-2021.chaincoord-0.1/gromacs-chain-coordinate-release-2021.chaincoord-0.1.tar.bz2'
url = 'https://gitlab.com/cbjh/gromacs-chain-coordinate/-/archive/release-2021.chaincoord-0.2/gromacs-chain-coordinate-release-2021.chaincoord-0.2.tar.bz2'
git = 'https://gitlab.com/cbjh/gromacs-chain-coordinate.git'
maintainers = ['w8jcik']
version('main', branch='main')
version('2021.2-0.1', sha256="879fdd04662370a76408b72c9fbc4aff60a6387b459322ac2700d27359d0dd87",
url="https://gitlab.com/cbjh/gromacs-chain-coordinate/-/archive/release-2021.chaincoord-0.1/gromacs-chain-coordinate-release-2021.chaincoord-0.1.tar.bz2",
preferred=True)
version('2021.5-0.2', sha256='33dda1e39cd47c5ae32b5455af8534225d3888fd7e4968f499b8483620fa770a',
url='https://gitlab.com/cbjh/gromacs-chain-coordinate/-/archive/release-2021.chaincoord-0.2/gromacs-chain-coordinate-release-2021.chaincoord-0.2.tar.bz2')
version('2021.2-0.1', sha256='879fdd04662370a76408b72c9fbc4aff60a6387b459322ac2700d27359d0dd87',
url='https://gitlab.com/cbjh/gromacs-chain-coordinate/-/archive/release-2021.chaincoord-0.1/gromacs-chain-coordinate-release-2021.chaincoord-0.1.tar.bz2')
conflicts('+plumed')

12
var/spack/repos/builtin/packages/gromacs-swaxs/package.py
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@ -15,12 +15,24 @@ class GromacsSwaxs(Gromacs):
git = 'https://gitlab.com/cbjh/gromacs-swaxs.git'
maintainers = ['w8jcik']
version('2021.5-0.4', sha256='9f8ed6d448a04789d45e847cbbc706a07130377f578388220a9d5357fae9d1c3',
url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.4/gromacs-swaxs-release-2021.swaxs-0.4.tar.bz2')
version('2021.5-0.3', sha256='e05ea76610657e52e8293abff53ee9f16f4cffa508074e1e10132ed5fba97881',
url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.3/gromacs-swaxs-release-2021.swaxs-0.3.tar.bz2')
version('2021.4-0.2', sha256='ea0dbe868d20e05c8fca337e0dddc16116a83fa7a6ac3a924942e9d00952ed62',
url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.2/gromacs-swaxs-release-2021.swaxs-0.2.tar.bz2')
version('2021.4-0.1', sha256='eda1c8a7aae6001ef40480addf9fff9cdccc7e2b80480e36d069f50d6f2be26e', deprecated=True,
url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.1/gromacs-swaxs-release-2021.swaxs-0.1.tar.bz2')
version('2020.7-0.4', sha256='3eb0975ec92a89f6a3be548896307376974805ac685a9f776b0131a449a6b8a4',
url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.4/gromacs-swaxs-release-2020.swaxs-0.4.tar.bz2')
version('2020.7-0.3', sha256='eb5902df079b8f86c56b62be695c0d17307c195b2cdd7cefb7e117466be83211',
url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.3/gromacs-swaxs-release-2020.swaxs-0.3.tar.bz2')
version('2020.6-0.2', sha256='c22a7c6a0ee54eee1b3e224530f65e6f976a7aca5dc0f5ea22b2935a5a4357e9',
url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.2/gromacs-swaxs-release-2020.swaxs-0.2.tar.bz2')

3
var/spack/repos/builtin/packages/gromacs/package.py
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@ -22,13 +22,14 @@ class Gromacs(CMakePackage):
"""
homepage = 'https://www.gromacs.org'
url = 'https://ftp.gromacs.org/gromacs/gromacs-2022.1.tar.gz'
url = 'https://ftp.gromacs.org/gromacs/gromacs-2022.2.tar.gz'
list_url = 'https://ftp.gromacs.org/gromacs'
git = 'https://gitlab.com/gromacs/gromacs.git'
maintainers = ['junghans', 'marvinbernhardt']
version('main', branch='main')
version('master', branch='main', deprecated=True)
version('2022.2', sha256='656404f884d2fa2244c97d2a5b92af148d0dbea94ad13004724b3fcbf45e01bf')
version('2022.1', sha256='85ddab5197d79524a702c4959c2c43be875e0fc471df3a35224939dce8512450')
version('2022', sha256='fad60d606c02e6164018692c6c9f2c159a9130c2bf32e8c5f4f1b6ba2dda2b68')
version('2021.5', sha256='eba63fe6106812f72711ef7f76447b12dd1ee6c81b3d8d4d0e3098cd9ea009b6')