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| author | Carlos Bederián <carlos.bederian@unc.edu.ar> | 2023-02-16 13:55:16 -0300 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-02-16 17:55:16 +0100 |
| commit | 832c43558844dc5204d702934bd7820f179ecdb7 (patch) | |
| tree | ee4d3526fa2d5b74f1eef89ef41f9548b17ca01a /var/spack/repos/builtin/packages/gromacs | |
| parent | 5079086019a6529fe5de0f62eddaa3b870226d2c (diff) | |
| download | spack-832c43558844dc5204d702934bd7820f179ecdb7.tar.gz spack-832c43558844dc5204d702934bd7820f179ecdb7.tar.bz2 spack-832c43558844dc5204d702934bd7820f179ecdb7.tar.xz spack-832c43558844dc5204d702934bd7820f179ecdb7.zip | |
gromacs: add 2021.7, 2022.5, 2023, and some requirements (#35413)
Diffstat (limited to 'var/spack/repos/builtin/packages/gromacs')
| -rw-r--r-- | var/spack/repos/builtin/packages/gromacs/package.py | 18 |
1 files changed, 18 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py index bc1d06f9cb..a3c78cf207 100644 --- a/var/spack/repos/builtin/packages/gromacs/package.py +++ b/var/spack/repos/builtin/packages/gromacs/package.py @@ -28,11 +28,14 @@ class Gromacs(CMakePackage): version("main", branch="main") version("master", branch="main", deprecated=True) + version("2023", sha256="ac92c6da72fbbcca414fd8a8d979e56ecf17c4c1cdabed2da5cfb4e7277b7ba8") + version("2022.5", sha256="083cc3c424bb93ffe86c12f952e3e5b4e6c9f6520de5338761f24b75e018c223") version("2022.4", sha256="c511be602ff29402065b50906841def98752639b92a95f1b0a1060d9b5e27297") version("2022.3", sha256="14cfb130ddaf8f759a3af643c04f5a0d0d32b09bc3448b16afa5b617f5e35dae") version("2022.2", sha256="656404f884d2fa2244c97d2a5b92af148d0dbea94ad13004724b3fcbf45e01bf") version("2022.1", sha256="85ddab5197d79524a702c4959c2c43be875e0fc471df3a35224939dce8512450") version("2022", sha256="fad60d606c02e6164018692c6c9f2c159a9130c2bf32e8c5f4f1b6ba2dda2b68") + version("2021.7", sha256="4db7bbbfe5424de48373686ec0e8c5bfa7175d5cd74290ef1c1e840e6df67f06") version("2021.6", sha256="52df2c1d7586fd028d9397985c68bd6dd26e6e905ead382b7e6c473d087902c3") version("2021.5", sha256="eba63fe6106812f72711ef7f76447b12dd1ee6c81b3d8d4d0e3098cd9ea009b6") version("2021.4", sha256="cb708a3e3e83abef5ba475fdb62ef8d42ce8868d68f52dafdb6702dc9742ba1d") @@ -140,6 +143,21 @@ class Gromacs(CMakePackage): when="+cp2k", msg="GROMACS and CP2K should use the same blas, please disable bundled blas", ) + conflicts( + "%intel", + when="@2022:", + msg="GROMACS %intel support was removed in version 2022", + ) + conflicts( + "%gcc@:8", + when="@2023:", + msg="GROMACS requires GCC 9 or later since version 2023", + ) + conflicts( + "intel-oneapi-mkl@:2021.2", + when="@2023:", + msg="GROMACS requires oneMKL 2021.3 or later since version 2023", + ) depends_on("mpi", when="+mpi") |