spack:
  concretizer:
    unify: false
  config:
    install_tree:
      root: $spack/opt/spack/unstable
  definitions:
  - compilers_gcc_7.5.0:
    - gcc@13.2.0
    - gcc@7.5.0
    - gcc@=12.3
    - nvhpc@24.3
    - cce@17.0.0
  - compilers_gcc_13.2.0:
    - nvhpc@24.11/6wi4jhx
  - gcc_7.5.0:
    - ffbidx@main/3xig2i
  - gcc_12.3_openmpi:
    - gromacs@2024.1/x33hfjx
    - cp2k@2024.3/m3eow6e #+cuda
    - relion@4.0.1/rudfcxt
    - relion@5.0.0/oyf4n7i
  - gcc_13.2_openmpi:
    - opal-x@fixSolverUnits/ttg7vdz
  - nvhpc_24.11_openmpi:
    - quantum-espresso@7.4/oed4w6w  #+cuda +mpigpu hdf5=parallel
  include:
  - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
  - $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
  mirrors:
    local_psi: file:///afs/psi.ch/software/spack/testing
  modules:
    default:
      roots:
        lmod: $spack/opt/spack/unstable/modulefiles
      lmod:
        cray-mpich:
          environment:
            set:
              SLURM_MPI_TYPE: pmix
        openmpi:
          environment:
            set:
              SLURM_MPI_TYPE: pmix
              OMPI_MCA_mtl_ofi_disable_hmem: 'true'
        core_compilers:
        - gcc@=7.5.0
  specs:
  - matrix:
    - [$compilers_gcc_7.5.0]
    - ['%gcc@7.5.0']
  - matrix:
    - [$compilers_gcc_13.2.0]
    - ['%gcc@13.2.0']
  - matrix:
    - [$gcc_7.5.0]
    - ['%gcc@7.5.0']
  - matrix:
    - [$gcc_12.3_openmpi]
    - ['%gcc@12.3']
    - [^openmpi]
  - matrix:
    - [$gcc_13.2_openmpi]
    - ['%gcc@13.2']
    - [^openmpi]
  - matrix:
    - [$nvhpc_24.3_openmpi]
    - ['%nvhpc@24.3']
    - [^openmpi]
  view: false