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FIX: use definitions for unstable env (rhel7)

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svcusr-spack (Resp. Germann Elsa Sylvia)
2024-06-19 09:36:22 +02:00
parent 313f027bc6
commit a3ee399a3f
1 changed files with 11 additions and 5 deletions
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16
env/rhel7/x86_64/admin/unstable/spack.yaml vendored
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@ -8,6 +8,13 @@ spack:
- $spack/../user/$user/spack-stage
install_tree:
root: $spack/opt/spack/unstable
definitions:
- gcc_12.3.0_openmpi:
- cp2k@2024.1/2bayb45 # ~cuda
- cp2k@2024.1/exkrpix # +cuda
- quantum-espresso@7.3.1/yuxkoz2 # hdf5=parallel
- opal@master/l4dkgyf
- py-alphafold@2.3.2/rrfdppp # ~cuda
include:
- $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
- $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
@ -15,9 +22,8 @@ spack:
local_unstable: file:///afs/psi.ch/software/spack/unstable
local_stable: file:///afs/psi.ch/software/spack/stable
specs:
- quantum-espresso/yuxkoz2 # quantum-espresso%gcc@12.3.0 ^openmpi
- cp2k/2bayb45 # cp2k@2024.1%gcc@12.3.0 ^openmpi
- cp2k/exkrpix # cp2k@2024.1%gcc@12.3.0 +cuda ^openmpi
- opal/l4dkgyf # opal@master%gcc@12.3.0 ^openmpi
- py-alphafold/rrfdppp # py-alphafold@2.3.2%gcc@12.3.0 ~cuda
- matrix:
- [$gcc_12.3.0_openmpi]
- [^openmpi]
- ['%gcc@12.3.0']
view: false