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author | Maciej Wójcik <w8jcik@gmail.com> | 2021-07-16 13:47:27 +0200 |
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committer | GitHub <noreply@github.com> | 2021-07-16 05:47:27 -0600 |
commit | 64f31c457923c7e4cb00fe28d83431e67761d56e (patch) | |
tree | 82c753541c9de1f593400bc6ba0ee224b9c5d1e4 /var | |
parent | e96ba16555dd6bb3595829773f91a00b0155b9bf (diff) | |
download | spack-64f31c457923c7e4cb00fe28d83431e67761d56e.tar.gz spack-64f31c457923c7e4cb00fe28d83431e67761d56e.tar.bz2 spack-64f31c457923c7e4cb00fe28d83431e67761d56e.tar.xz spack-64f31c457923c7e4cb00fe28d83431e67761d56e.zip |
Added missing Plumed 2.5-2.7 versions to Gromacs package (#24912)
* Added missing Plumed 2.5-2.7 releases
* Added missing Plumed 2.5-2.7 dependencies
* Merged version ranges
* Simplified version ranges
* Deduplicated comment
Diffstat (limited to 'var')
-rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 54 | ||||
-rw-r--r-- | var/spack/repos/builtin/packages/plumed/package.py | 8 |
2 files changed, 51 insertions, 11 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index 30c2acd61e..5b0a87a66e 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -94,17 +94,53 @@ class Gromacs(CMakePackage): description='Enables cycle subcounters') depends_on('mpi', when='+mpi') - # define matching plumed versions - depends_on('plumed@2.6.0:2.6.9+mpi', when='@2020.2+plumed+mpi') - depends_on('plumed@2.6.0:2.6.9~mpi', when='@2020.2+plumed~mpi') - depends_on('plumed@2.6.0:2.6.9+mpi', when='@2019.6+plumed+mpi') - depends_on('plumed@2.6.0:2.6.9~mpi', when='@2019.6+plumed~mpi') - depends_on('plumed@2.5.0:2.5.9+mpi', when='@2019.4+plumed+mpi') - depends_on('plumed@2.5.0:2.5.9~mpi', when='@2019.4+plumed~mpi') - depends_on('plumed@2.5.0:2.5.9+mpi', when='@2018.6+plumed+mpi') - depends_on('plumed@2.5.0:2.5.9~mpi', when='@2018.6+plumed~mpi') + + # Plumed 2.7.1 needs Gromacs 2021, 2020.5, 2019.6 + # Plumed 2.7.0 needs Gromacs 2020.4, 2019.6 + # Plumed 2.6.3 needs Gromacs 2020.4, 2019.6, 2018.8 + # Plumed 2.6.2 needs Gromacs 2020.4, 2019.6, 2018.8 + # Plumed 2.6.1 needs Gromacs 2020.2, 2019.6, 2018.8 + # Plumed 2.6.0 needs Gromacs 2019.4, 2018.8 + # Plumed 2.5.7 needs Gromacs 2019.4, 2018.8, 2016.6 + # Plumed 2.5.6 needs Gromacs 2019.4, 2018.8, 2016.6 + # Plumed 2.5.5 needs Gromacs 2019.4, 2018.8, 2016.6 + # Plumed 2.5.4 needs Gromacs 2019.4, 2018.8, 2016.6 + # Plumed 2.5.3 needs Gromacs 2019.4, 2018.8, 2016.6 + # Plumed 2.5.2 needs Gromacs 2019.2, 2018.6, 2016.6 + # Plumed 2.5.1 needs Gromacs 2018.6, 2016.6 + # Plumed 2.5.0 needs Gromacs 2018.4, 2016.5 + + # Above dependencies can be verified, and new versions added, by going to + # https://github.com/plumed/plumed2/tree/v2.7.1/patches + # and switching tags. + depends_on('plumed+mpi', when='+plumed+mpi') depends_on('plumed~mpi', when='+plumed~mpi') + depends_on('plumed@2.7.1+mpi', when='@2021+plumed+mpi') + depends_on('plumed@2.7.1~mpi', when='@2021+plumed~mpi') + depends_on('plumed@2.7.1+mpi', when='@2020.5+plumed+mpi') + depends_on('plumed@2.7.1~mpi', when='@2020.5+plumed~mpi') + depends_on('plumed@2.6.2:2.7.0+mpi', when='@2020.4+plumed+mpi') + depends_on('plumed@2.6.2:2.7.0~mpi', when='@2020.4+plumed~mpi') + depends_on('plumed@2.6.1+mpi', when='@2020.2+plumed+mpi') + depends_on('plumed@2.6.1~mpi', when='@2020.2+plumed~mpi') + depends_on('plumed@2.6.1:2.7.1+mpi', when='@2019.6+plumed+mpi') + depends_on('plumed@2.6.1:2.7.1~mpi', when='@2019.6+plumed~mpi') + depends_on('plumed@2.5.3:2.6.0+mpi', when='@2019.4+plumed+mpi') + depends_on('plumed@2.5.3:2.6.0~mpi', when='@2019.4+plumed~mpi') + depends_on('plumed@2.5.2+mpi', when='@2019.2+plumed+mpi') + depends_on('plumed@2.5.2~mpi', when='@2019.2+plumed~mpi') + depends_on('plumed@2.5.3:2.6.99+mpi', when='@2018.8+plumed+mpi') + depends_on('plumed@2.5.3:2.6.99~mpi', when='@2018.8+plumed~mpi') + depends_on('plumed@2.5.1:2.5.2+mpi', when='@2018.6+plumed+mpi') + depends_on('plumed@2.5.1:2.5.2~mpi', when='@2018.6+plumed~mpi') + depends_on('plumed@2.5.0+mpi', when='@2018.4+plumed+mpi') + depends_on('plumed@2.5.0~mpi', when='@2018.4+plumed~mpi') + depends_on('plumed@2.5.1:2.5.99+mpi', when='@2016.6+plumed+mpi') + depends_on('plumed@2.5.1:2.5.99~mpi', when='@2016.6+plumed~mpi') + depends_on('plumed@2.5.0+mpi', when='@2016.5+plumed+mpi') + depends_on('plumed@2.5.0~mpi', when='@2016.5+plumed~mpi') + depends_on('fftw-api@3') depends_on('cmake@2.8.8:3.99.99', type='build') depends_on('cmake@3.4.3:3.99.99', type='build', when='@2018:') diff --git a/var/spack/repos/builtin/packages/plumed/package.py b/var/spack/repos/builtin/packages/plumed/package.py index c6be801b06..78c3c30c9c 100644 --- a/var/spack/repos/builtin/packages/plumed/package.py +++ b/var/spack/repos/builtin/packages/plumed/package.py @@ -21,14 +21,18 @@ class Plumed(AutotoolsPackage): and C/C++ codes. """ homepage = 'http://www.plumed.org/' - url = 'https://github.com/plumed/plumed2/archive/v2.5.3.tar.gz' + url = 'https://github.com/plumed/plumed2/archive/v2.6.3.tar.gz' git = 'https://github.com/plumed/plumed2.git' version('master', branch='master') + version('2.7.1', sha256='cb8b5735d8dd61980fa6441f3dde3f33544240ae4177da0f529fb5abb355cd4a') version('2.7.0', sha256='14450ea566c25ac9bf71fd77bb9c0c95e9038462b5739c73a515be82e2011cd6') - version('2.6.2', preferred=True, sha256='bbc2ef0cb08d404513b8b737c72333b6656389e15effd6a0f9ace2a5758c9a4a') + version('2.6.3', preferred=True, sha256='d05b9e4a4c1329fc932d5bdd04f20419be230f98159bdc012a91716461ab4a2f') + version('2.6.2', sha256='bbc2ef0cb08d404513b8b737c72333b6656389e15effd6a0f9ace2a5758c9a4a') version('2.6.1', sha256='c1b3c397b2d971140aa240dde50e48a04ce78e3dedb02b6dca80fa53f8026e4e') version('2.6.0', sha256='3d57ae460607a49547ef38a52c4ac93493a3966857c352280a9c05f5dcdb1820') + version('2.5.7', sha256='aa10d2879c3edeaef9d5a530fe8b05f67ecfbec2e9423e0f95701d0bc54826c7') + version('2.5.6', sha256='1bc29b0274196fb553cdf7ba8ecb7a93a91d60a920d99863edbcd536d618ce8c') version('2.5.5', sha256='70faa9ff1938e286dc388cb793b39840953e5646855b684f48df1bc864b737e8') version('2.5.4', sha256='a1647e598191f261e75d06351e607475d395af481315052a4c28563ac9989a7f') version('2.5.3', sha256='543288be667dc4201fc461ecd2dd4878ddfbeac682d0c021c99ea8e501c7c9dc') |