52 lines
1.2 KiB
YAML
52 lines
1.2 KiB
YAML
spack:
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concretizer:
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unify: false
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config:
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install_tree:
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root: $spack/opt/spack/unstable
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definitions:
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- gcc_7.5.0:
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- ffbidx@main/3xig2i
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- gcc_12.3_mpich:
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- cp2k@2024.1/zqm5fme #+cuda
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- py-alphafold@2.3.2/xkw7tfm #+cuda
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- gcc_12.3_openmpi:
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- gromacs@2024.1/x33hfjx
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- nvhpc_24.3_openmpi:
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- quantum-espresso@7.3.1/ilkc3ds #+cuda
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include:
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- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
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- $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
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mirrors:
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local_psi: file:///afs/psi.ch/software/spack/testing
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modules:
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default:
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roots:
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tcl: $spack/opt/spack/unstable/modulefiles
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tcl:
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cray-mpich:
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environment:
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set:
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SLURM_MPI_TYPE: 'pmix'
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openmpi:
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environment:
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set:
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SLURM_MPI_TYPE: 'pmix'
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specs:
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- matrix:
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- [$gcc_7.5.0]
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- ['%gcc@7.5.0']
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- matrix:
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- [$gcc_12.3_mpich]
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- ['%gcc@12.3']
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- [^cray-mpich]
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- matrix:
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- [$gcc_12.3_openmpi]
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- ['%gcc@12.3']
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- [^openmpi]
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- matrix:
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- [$nvhpc_24.3_openmpi]
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- ['%nvhpc@24.3']
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- [^openmpi]
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view: false
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