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| author | Maciej Wójcik <w8jcik@gmail.com> | 2021-10-12 13:01:10 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2021-10-12 13:01:10 +0200 |
| commit | 4b2cbd3aea506d211d21c1d8ab53875960c74592 (patch) | |
| tree | 7a37178548123dd32044680117c144d674c91ac1 /var/spack/repos/builtin/packages/gromacs/package.py | |
| parent | cb06f91df735906c428726e3f1140c87fe404f43 (diff) | |
| download | spack-4b2cbd3aea506d211d21c1d8ab53875960c74592.tar.gz spack-4b2cbd3aea506d211d21c1d8ab53875960c74592.tar.bz2 spack-4b2cbd3aea506d211d21c1d8ab53875960c74592.tar.xz spack-4b2cbd3aea506d211d21c1d8ab53875960c74592.zip | |
gromacs: Add Gromacs 2020.6 and Plumed 2.7.2 (#26663)
Diffstat (limited to 'var/spack/repos/builtin/packages/gromacs/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 8 |
1 files changed, 6 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index 5a4b57590b..defd362c95 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -29,6 +29,7 @@ class Gromacs(CMakePackage): version('2021.2', sha256='d940d865ea91e78318043e71f229ce80d32b0dc578d64ee5aa2b1a4be801aadb') version('2021.1', sha256='bc1d0a75c134e1fb003202262fe10d3d32c59bbb40d714bc3e5015c71effe1e5') version('2021', sha256='efa78ab8409b0f5bf0fbca174fb8fbcf012815326b5c71a9d7c385cde9a8f87b') + version('2020.6', sha256='d8bbe57ed3c9925a8cb99ecfe39e217f930bed47d5268a9e42b33da544bdb2ee') version('2020.5', sha256='7b6aff647f7c8ee1bf12204d02cef7c55f44402a73195bd5f42cf11850616478') version('2020.4', sha256='5519690321b5500c7951aaf53ff624042c3edd1a5f5d6dd1f2d802a3ecdbf4e6') version('2020.3', sha256='903183691132db14e55b011305db4b6f4901cc4912d2c56c131edfef18cc92a9') @@ -96,6 +97,7 @@ 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 @@ -117,8 +119,10 @@ class Gromacs(CMakePackage): 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@2.7.1:2.7.2+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@2.7.1+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') |