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ADD: gromacs+cuda SLES

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This commit is contained in:
svcusr-spack (Resp. Germann Elsa Sylvia)
2024-07-19 18:05:29 +02:00
parent d90230a058
commit 395260f1ec
3 changed files with 8 additions and 1 deletions
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2
env/sles15/x86_64/admin/unstable/spack.lock vendored
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6
env/sles15/x86_64/admin/unstable/spack.yaml vendored
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@ -9,6 +9,8 @@ spack:
- cp2k@2024.1/2jesise #~cuda
- cp2k@2024.1/zqm5fme #+cuda
- quantum-espresso@7.3.1/n6mulig #~cuda
- gcc_12.3_openmpi:
- gromacs@2024.1/3n7qspb #+cuda
include:
- $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
- $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
@ -20,4 +22,8 @@ spack:
- [$gcc_12.3_mpich]
- ['%gcc@12.3']
- ['^cray-mpich']
- matrix:
- [$gcc_12.3_openmpi]
- ['%gcc@12.3']
- ['^openmpi']
view: false