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ADD: relion@4.0.1 to SLES stable

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This commit is contained in:
svcusr-spack (Resp. Germann Elsa Sylvia)
2024-07-26 11:08:44 +02:00
parent b9089c61d8
commit 22fcd29c3a
4 changed files with 11 additions and 3 deletions
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1
env/sles15/x86_64/admin/stable/spack.lock vendored Normal file
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10
env/sles15/x86_64/admin/stable/spack.yaml vendored
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@ -5,6 +5,10 @@ spack:
config: config:
install_tree: install_tree:
root: $spack/opt/spack/stable root: $spack/opt/spack/stable
padded_length: 0
definitions:
- gcc_12.3_mpich:
- relion@4.0.1/ve5sish #+cuda
include: include:
- $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
- $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
@ -14,5 +18,9 @@ spack:
default: default:
roots: roots:
tcl: $spack/opt/spack/stable/modulefiles tcl: $spack/opt/spack/stable/modulefiles
specs: [] specs:
- matrix:
- [$gcc_12.3_mpich]
- ['%gcc@12.3']
- [^cray-mpich]
view: false view: false

2
env/sles15/x86_64/admin/unstable/spack.lock vendored
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env/sles15/x86_64/admin/unstable/spack.yaml vendored
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@ -11,7 +11,6 @@ spack:
- quantum-espresso@7.3.1/n6mulig #~cuda - quantum-espresso@7.3.1/n6mulig #~cuda
- opal@2024.1.0/mhg3mdx - opal@2024.1.0/mhg3mdx
- py-alphafold@2.3.2/xkw7tfm #+cuda - py-alphafold@2.3.2/xkw7tfm #+cuda
- relion@4.0.1/ve5sish #+cuda
- gcc_12.3_openmpi: - gcc_12.3_openmpi:
- gromacs@2024.1/3n7qspb #+cuda - gromacs@2024.1/3n7qspb #+cuda
- nvhpc_23.9_openmpi: - nvhpc_23.9_openmpi: