HPCE/spack-psi
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svcusr-spack (Resp. Germann Elsa Sylvia)
2024-06-18 16:43:14 +02:00
parent f89fe43f25
commit 313f027bc6
2 changed files with 6 additions and 4 deletions
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1
env/rhel7/x86_64/admin/unstable/spack.lock vendored Normal file
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9
env/rhel7/x86_64/admin/unstable/spack.yaml vendored
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@ -15,8 +15,9 @@ spack:
local_unstable: file:///afs/psi.ch/software/spack/unstable
local_stable: file:///afs/psi.ch/software/spack/stable
specs:
- matrix:
- [cp2k@2024.1, cp2k@2024.1+cuda, quantum-espresso@7.3.1 hdf5=parallel, opal@master]
- [^openmpi]
- ['%gcc@12.3.0']
- quantum-espresso/yuxkoz2 # quantum-espresso%gcc@12.3.0 ^openmpi
- cp2k/2bayb45 # cp2k@2024.1%gcc@12.3.0 ^openmpi
- cp2k/exkrpix # cp2k@2024.1%gcc@12.3.0 +cuda ^openmpi
- opal/l4dkgyf # opal@master%gcc@12.3.0 ^openmpi
- py-alphafold/rrfdppp # py-alphafold@2.3.2%gcc@12.3.0 ~cuda
view: false