71 lines
1.6 KiB
YAML
71 lines
1.6 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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- compilers_gcc_7.5.0:
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- gcc@13.2.0
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- gcc@7.5.0
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- gcc@=12.3
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- nvhpc@24.3
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- cce@17.0.0
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- compilers_gcc_13.2.0:
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- nvhpc@24.11/6wi4jhx
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- gcc_7.5.0:
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- ffbidx@main/3xig2i
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- gcc_12.3_openmpi:
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- gromacs@2024.1/x33hfjx
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- cp2k@2024.3/m3eow6e #+cuda
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- relion@4.0.1/rudfcxt
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- relion@5.0.0/oyf4n7i
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- gcc_13.2_openmpi:
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- opal-x@fixSolverUnits/ttg7vdz
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- nvhpc_24.11_openmpi:
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- quantum-espresso@7.4/oed4w6w #+cuda +mpigpu hdf5=parallel
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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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lmod: $spack/opt/spack/unstable/modulefiles
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lmod:
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cray-mpich:
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environment:
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set:
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SLURM_MPI_TYPE: pmix
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openmpi:
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environment:
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set:
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SLURM_MPI_TYPE: pmix
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OMPI_MCA_mtl_ofi_disable_hmem: 'true'
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core_compilers:
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- gcc@=7.5.0
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specs:
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- matrix:
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- [$compilers_gcc_7.5.0]
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- ['%gcc@7.5.0']
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- matrix:
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- [$compilers_gcc_13.2.0]
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- ['%gcc@13.2.0']
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- matrix:
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- [$gcc_7.5.0]
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- ['%gcc@7.5.0']
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- matrix:
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- [$gcc_12.3_openmpi]
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- ['%gcc@12.3']
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- [^openmpi]
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- matrix:
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- [$gcc_13.2_openmpi]
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- ['%gcc@13.2']
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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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