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| author | Maciej Wójcik <w8jcik@gmail.com> | 2022-05-23 22:07:47 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2022-05-23 20:07:47 +0000 |
| commit | ff980a14522652d3c9ee94bb3318a4bda7680b6b (patch) | |
| tree | 57c3d05f121af3ac9125f3cae60f70fe84b7dc79 /var/spack/repos/builtin/packages/gromacs | |
| parent | 51130abf8618c50361cdcd35be91f24ed422f607 (diff) | |
| download | spack-ff980a14522652d3c9ee94bb3318a4bda7680b6b.tar.gz spack-ff980a14522652d3c9ee94bb3318a4bda7680b6b.tar.bz2 spack-ff980a14522652d3c9ee94bb3318a4bda7680b6b.tar.xz spack-ff980a14522652d3c9ee94bb3318a4bda7680b6b.zip | |
plumed: add versions up to v2.8.0 (#30787)
Diffstat (limited to 'var/spack/repos/builtin/packages/gromacs')
| -rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 46 |
1 files changed, 27 insertions, 19 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index c801dc2b76..e8b48a39a5 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -99,21 +99,27 @@ class Gromacs(CMakePackage): depends_on('mpi', when='+mpi') - # Plumed 2.7.2 needs Gromacs 2021, 2020.6, 2019.6 - # 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 + # Plumed 2.8.0 needs Gromacs 2021.4, 2020.6, 2019.6 + # Plumed 2.7.4 needs Gromacs 2021.4, 2020.6, 2019.6 + # Plumed 2.7.3 needs Gromacs 2021.4, 2020.6, 2019.6 + # Plumed 2.7.2 needs Gromacs 2021, 2020.6, 2019.6 + # Plumed 2.7.1 needs Gromacs 2021, 2020.5, 2019.6 + # Plumed 2.7.0 needs Gromacs 2020.4, 2019.6 + # Plumed 2.6.6 needs Gromacs 2020.4, 2019.6, 2018.8 + # Plumed 2.6.5 needs Gromacs 2020.4, 2019.6, 2018.8 + # Plumed 2.6.4 needs Gromacs 2020.4, 2019.6, 2018.8 + # 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 @@ -121,18 +127,20 @@ class Gromacs(CMakePackage): depends_on('plumed+mpi', when='+plumed+mpi') depends_on('plumed~mpi', when='+plumed~mpi') + depends_on('plumed@2.7.3:2.8.0+mpi', when='@2021.4+plumed+mpi') + depends_on('plumed@2.7.3:2.8.0~mpi', when='@2021.4+plumed~mpi') depends_on('plumed@2.7.1:2.7.2+mpi', when='@2021+plumed+mpi') depends_on('plumed@2.7.1:2.7.2~mpi', when='@2021+plumed~mpi') - depends_on('plumed@2.7.2+mpi', when='@2020.6+plumed+mpi') - depends_on('plumed@2.7.2~mpi', when='@2020.6+plumed~mpi') + depends_on('plumed@2.7.2:2.8+mpi', when='@2020.6+plumed+mpi') + depends_on('plumed@2.7.2:2.8~mpi', when='@2020.6+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@2.6.1:2.8.0+mpi', when='@2019.6+plumed+mpi') + depends_on('plumed@2.6.1:2.8.0~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') |