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ADD: gromacs@2024.1%oneapi@2024.1.0 rhel7

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svcusr-spack (Resp. Germann Elsa Sylvia)
2024-06-20 09:11:19 +02:00
parent 0320048c57
commit 987c86c8ae
2 changed files with 8 additions and 2 deletions
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2
env/rhel7/x86_64/admin/unstable/spack.lock vendored
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8
env/rhel7/x86_64/admin/unstable/spack.yaml vendored
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@ -16,6 +16,8 @@ spack:
- opal@master/l4dkgyf - opal@master/l4dkgyf
- py-alphafold@2.3.2/rrfdppp # ~cuda - py-alphafold@2.3.2/rrfdppp # ~cuda
- py-alphafold@2.3.2/tqziprv # +cuda - py-alphafold@2.3.2/tqziprv # +cuda
- oneapi_2024.1.0_openmpi:
- gromacs@2024.1/pi5t2pp # ~cuda
include: include:
- $spack/spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
- $spack/spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
@ -25,6 +27,10 @@ spack:
specs: specs:
- matrix: - matrix:
- [$gcc_12.3.0_openmpi] - [$gcc_12.3.0_openmpi]
- [^openmpi] - [^openmpi%gcc]
- ['%gcc@12.3.0'] - ['%gcc@12.3.0']
- matrix:
- [$oneapi_2024.1.0_openmpi]
- [^openmpi%oneapi]
- ['%oneapi@2024.1.0']
view: false view: false