spack:
  concretizer:
    unify: false
  config:
    install_tree:
      root: $spack/opt/spack/unstable
  definitions:
  - gcc_7.5.0:
    - fpart@1.6.0/di4akxx
    - castep@25.12/chorual
  - gcc_12.3:
    - fastqc@0.12.1/eyuqqvf
    - ffbidx@main/lfacuhw
    - star@2.7.11a/gdgr2ea
    - sratoolkit@3.1.1/7oqp6a3
    - py-pymol@3.1.0/5qcfphh
    - valgrind@3.24.0/eicvdsq
  - gcc_13.2:
    - dmtcp@3.0.0/e76t6c5
    - gams@49.1/vztjqs4
    - ghostscript@10.04.0/27dgytn
    - ghostscript@10.04.0/sqkkzjs
    - nvhpc@25.3/wcwfa56
    - libgd@2.3.3/jdywifq
    - geant4@11.2.1/nkib2pg
    - root@6.34.06/2wo4ykf
    - boost@1.82.0/cawp3cu
    - arpack-ng@3.9.1/aapiazg
  - gcc_13.2_openmpi:
    - opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80
    - opal-x@master/cbgsfxb  #+cuda cuda_arch=80
  - gcc_12.3_mpich:
    - cp2k@2024.1/2jesise     #~cuda
    - cp2k@2024.1/zqm5fme     #+cuda
    - relion@4.0.1/ve5sish
    - 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_9.5.0_openmpi:
    - q-e-sirius@develop-ristretto/bb4v7wz
  - gcc_12.3_openmpi:
    - gromacs@2024.1/3n7qspb     #+cuda
    - hdf5@1.14.3/wqcdnm7 #+mpi ^openmpi@5.0.3%gcc@12.3
    - quantum-espresso@7.4.1/qasxcxt
    - quantum-espresso@7.4.0/m7bevi7
  - gcc_14.2.0_openmpi:
    - osu-micro-benchmarks@7.5/tlphstf
    - visit@3.4.1/h3a6tat
    - gromacs@2025.2/whcqszb
    - gromacs@2025.2/vbj4i76
  - gcc_14.2.0_mpich:
    - osu-micro-benchmarks@7.5/exsxjam
    - osu-micro-benchmarks@7.5/miy6mrp
  - intel_2021.6.0:
    - hdf5@1.14.3/yrxkczx
  - nvhpc_23.9_openmpi:
    - quantum-espresso@7.4.1/nxswsd7 #+cuda +mpi +mpigpu
  include:
  - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.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:
        lmod: $spack/opt/spack/unstable/modulefiles
      lmod:
        cray-mpich:
          environment:
            set:
              SLURM_MPI_TYPE: cray_shasta
              LD_LIBRARY_PATH: /opt/cray/libfabric/1.22.0/lib64
        openmpi:
          environment:
            set:
              SLURM_MPI_TYPE: pmix
  specs:
  - matrix:
    - [$gcc_7.5.0]
  - matrix:
    - [$gcc_12.3]
  - matrix:
    - [$gcc_13.2]
  - matrix:
    - [$gcc_13.2_openmpi]
    - [^openmpi]
  - matrix:
    - [$gcc_12.3_mpich]
    - [^cray-mpich]
  - matrix:
    - [$gcc_14.2.0_mpich]
    - [^mpich]
  - matrix:
    - [$gcc_9.5.0_openmpi]
    - [^openmpi]
  - matrix:
    - [$gcc_14.2.0_openmpi]
    - [^openmpi]
  - matrix:
    - [$gcc_12.3_openmpi]
    - [^openmpi]
  - matrix:
    - [$intel_2021.6.0]
  - matrix:
    - [$nvhpc_23.9_openmpi]
    - [^openmpi]
  - valgrind@3.24.0/eicvdsq
  view: false