spack:
  concretizer:
    unify: false
  config:
    install_tree:
      root: $spack/opt/spack/unstable
  definitions:
  - gcc_7.5.0:
    - visit@3.3.3/fo37wwb
  - gcc_12.3:
    - fastqc@0.12.1/eyuqqvf
    - ffbidx@main/lfacuhw
    - star@2.7.11a/gdgr2ea
    - sratoolkit@3.1.1/7oqp6a3
  - gcc_12.3_mpich:
    - cp2k@2024.1/2jesise     #~cuda
    - cp2k@2024.1/zqm5fme     #+cuda
    - quantum-espresso@7.3.1/n6mulig     #~cuda
    - opal@2024.1.0/mhg3mdx
    - py-alphafold@2.3.2/xkw7tfm     #+cuda
    - sundials@7.0.0/xxysszi #sundials@7.0.0+ARKODE+CVODE+CVODES+IDA+IDAS+KINSOL+cuda+examples+examples-install~f2003~fcmix~ginkgo~hypre~int64~ipo~klu~kokkos~kokkos-kernels~lapack~magma~monitoring+mpi+openmp~petsc~profiling~pthread~raja~rocm+shared+static~superlu-dist~superlu-mt~sycl~trilinos build_system=cmake build_type=Release cstd=99 cuda_arch=80 cxxstd=14 generator=make logging-level=2 precision=double
  - gcc_12.3_openmpi:
    - gromacs@2024.1/3n7qspb     #+cuda
    - hdf5@1.14.3/wqcdnm7 #+mpi ^openmpi@5.0.3%gcc@12.3
  - intel_2021.6.0:
    - hdf5@1.14.3/yrxkczx
  - nvhpc_23.9_openmpi:
    - quantum-espresso@7.3.1/le35al7 #+cuda
  include:
  - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
  - $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
  include_concrete:
    - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/unstable
  mirrors:
    local_psi: file:///afs/psi.ch/software/spack/testing
  modules:
    default:
      roots:
        tcl: $spack/opt/spack/unstable/modulefiles
      tcl:
        cray-mpich:
          environment:
            set:
              SLURM_MPI_TYPE: 'pmix'
        openmpi:
          environment:
            set:
              SLURM_MPI_TYPE: 'pmix'
              OMPI_MCA_mtl_ofi_disable_hmem: 'true'
  specs:
  - matrix:
    - [$gcc_7.5.0]
    - ['%gcc@7.5.0']
  - matrix:
    - [$gcc_12.3]
    - ['%gcc@12.3']
  - matrix:
    - [$gcc_12.3_mpich]
    - ['%gcc@12.3']
    - [^cray-mpich]
  - matrix:
    - [$gcc_12.3_openmpi]
    - ['%gcc@12.3']
    - [^openmpi]
  - matrix:
    - [$intel_2021.6.0]
    - ['%intel@2021.6.0']
  - matrix:
    - [$nvhpc_23.9_openmpi]
    - ['%nvhpc@23.9']
    - [^openmpi]
  view: false