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ADD: dssp & relion ^cray-mpich aarch64 unstable

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svcusr-spack (Resp. Germann Elsa Sylvia)
2025-02-21 09:22:04 +01:00
parent 154f68edc3
commit 2c628dc755
1 changed files with 11 additions and 0 deletions
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11
env/sles15/aarch64/admin/unstable/spack.yaml vendored
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@ -15,11 +15,15 @@ spack:
- nvhpc@24.11/6wi4jhx - nvhpc@24.11/6wi4jhx
- gcc_7.5.0: - gcc_7.5.0:
- ffbidx@main/3xig2i - ffbidx@main/3xig2i
- gcc_13.2.0:
- dssp@2.3.0/xfc2pth
- gcc_12.3_openmpi: - gcc_12.3_openmpi:
- gromacs@2024.1/x33hfjx - gromacs@2024.1/x33hfjx
- cp2k@2024.3/m3eow6e #+cuda - cp2k@2024.3/m3eow6e #+cuda
- relion@4.0.1/rudfcxt - relion@4.0.1/rudfcxt
- relion@5.0.0/oyf4n7i - relion@5.0.0/oyf4n7i
- gcc_12.3_cray_mpich:
- relion@5.0.0/wk4d62r
- gcc_13.2_openmpi: - gcc_13.2_openmpi:
- opal-x@fixSolverUnits/ttg7vdz - opal-x@fixSolverUnits/ttg7vdz
- nvhpc_24.11_openmpi: - nvhpc_24.11_openmpi:
@ -55,6 +59,13 @@ spack:
- matrix: - matrix:
- [$gcc_7.5.0] - [$gcc_7.5.0]
- ['%gcc@7.5.0'] - ['%gcc@7.5.0']
- matrix:
- [$gcc_13.2.0]
- ['%gcc@13.2.0']
- matrix:
- [$gcc_12.3_cray_mpich]
- ['%gcc@12.3']
- [^cray-mpich]
- matrix: - matrix:
- [$gcc_12.3_openmpi] - [$gcc_12.3_openmpi]
- ['%gcc@12.3'] - ['%gcc@12.3']