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| author | Audrius Kalpokas <akalpokas16@gmail.com> | 2023-08-14 08:17:16 +0100 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-08-14 09:17:16 +0200 |
| commit | 887847610ecfd236ef98d1c2621d97816e3c7e6f (patch) | |
| tree | 68ad3d81d8ffc0da5ba14ea1e249d7f8cf2ecca8 /var/spack/repos/builtin/packages/gromacs | |
| parent | 282a01ef76791fce4aacee8470148f9c659af77c (diff) | |
| download | spack-887847610ecfd236ef98d1c2621d97816e3c7e6f.tar.gz spack-887847610ecfd236ef98d1c2621d97816e3c7e6f.tar.bz2 spack-887847610ecfd236ef98d1c2621d97816e3c7e6f.tar.xz spack-887847610ecfd236ef98d1c2621d97816e3c7e6f.zip | |
gromacs: add plumed 2.8.3-2.9.0 variants (#39411)
Diffstat (limited to 'var/spack/repos/builtin/packages/gromacs')
| -rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 63 |
1 files changed, 33 insertions, 30 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index eccf9457f0..9243bc60c8 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -168,49 +168,52 @@ class Gromacs(CMakePackage, CudaPackage): depends_on("mpi", when="+mpi") - # Plumed 2.8.2 needs Gromacs 2022.5 2021.7, 2020.7, 2019.6 - # Plumed 2.8.1 needs Gromacs 2022.3 2021.6, 2020.7, 2019.6 - # Plumed 2.8.0 needs Gromacs 2021.4, 2020.6, 2019.6 - # Plumed 2.7.6 needs Gromacs 2021.5, 2020.6, 2019.6 - # Plumed 2.7.5 needs Gromacs 2021.5, 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 + # Plumed 2.9.0 needs Gromacs 2023, 2022.5, 2021.7, 2020.7 + # Plumed 2.8.3 needs Gromacs 2022.5, 2021.7, 2020.7, 2019.6 + # Plumed 2.8.2 needs Gromacs 2022.5, 2021.7, 2020.7, 2019.6 + # Plumed 2.8.1 needs Gromacs 2022.3, 2021.6, 2020.7, 2019.6 + # Plumed 2.8.0 needs Gromacs 2021.4, 2020.6, 2019.6 + # Plumed 2.7.6 needs Gromacs 2021.5, 2020.6, 2019.6 + # Plumed 2.7.5 needs Gromacs 2021.5, 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 + # https://github.com/plumed/plumed2/tree/v2.9.0/patches # and switching tags. plumed_patches = { - "2022.5": "2.8.2", + "2023": "2.9.0", + "2022.5": "2.8.2:2.9.0", "2022.3": "2.8.1", - "2021.7": "2.8.2", + "2021.7": "2.8.2:2.9.0", "2021.6": "2.8.1", "2021.5": "2.7.5:2.7.6", "2021.4": "2.7.3:2.8.0", "2021": "2.7.1:2.7.2", - "2020.7": "2.8.1:2.8.2", + "2020.7": "2.8.1:2.9.0", "2020.6": "2.7.2:2.8.0", "2020.5": "2.7.1", "2020.4": "2.6.2:2.7.0", "2020.2": "2.6.1", - "2019.6": "2.6.1:2.8.2", + "2019.6": "2.6.1:2.8.3", "2019.4": "2.5.3:2.6.0", "2019.2": "2.5.2", "2018.8": "2.5.3:2.6", |