spack:
  concretizer:
    unify: false
  definitions:
    - Compilers: &Compilers
      - '%clang@12.0.0'
      - '%dpcpp@2022.1.0'
      - '%gcc@12.1.0'
      - '%intel@2021.6.0'
      - '%nvhpc@21.5'
      - '%oneapi@2022.1.0'
    # Careful!! Any external packages shouldn't be placed here, otherwise there is a possibility
    # they'll end with a module pointing to empty paths!!
    - Batchsystem_pckgs: &Batchsystem_pckgs
        - slurm
    - Compiler_pckgs: &Compiler_pckgs
        # E.G: removing atlas from testing, since it taking way too much time. Installation working though.
        # - atlas%gcc
        # - clapack%gcc
        - boost%gcc
        - boost%oneapi
        - boost%clang
        - boost%nvhpc
        - clhep%gcc
        - eigen%gcc
        - geant4%gcc
        - googletest%gcc
        - gsl%gcc
        - intel-oneapi-mpi%oneapi
        - kokkos%gcc
        - libint%oneapi tune=cp2k-lmax-6
        - libxc%oneapi
        - libxsmm%oneapi
        - mpich%gcc netmod=ucx
        - openblas%gcc threads=none
        - openblas%gcc threads=openmp
        - openmpi%gcc
        - root%gcc
        - superlu%gcc
        - vtk%gcc
    - Cuda_pckgs: &Cuda_pckgs
        - cuda
    - EM_pckgs: &EM_pckgs
        - cistem
        - ctffind
        - motioncor2
        - relion
        - unblur
    - Librairies_pckgs: &Librairies_pckgs
        - alsa-lib
        - gdrcopy
        - giflib
        - gmp
        - hwloc
        - isl
        - knem
        - libtasn1
        - mpc
        - mpfr
        - nettle
        - pmix
        - ucx
        - udunits
        - wxwidgets
        - x264
        - zlib
    - MX_pckgs: &MX_pckgs
        - cbflib
        - lz4
        - openbabel
        - visit
    - HDF5_pckgs: &HDF5_pckgs
        - alps
        - h5hut+mpi
        - hdf5-blosc
        - ioapi
        - hdf5+mpi
        - netcdf-c
        - netcdf-fortran
        - netcdf-c +parallel-netcdf
        - trilinos
    - HDF5_serial_pckgs: &HDF5_serial_pckgs
        - hdf5~mpi
        - h5hut~mpi
        - ncview
    - MPI_pckgs: &MPI_pckgs
        - amrex
        - boxlib
        - cp2k
        - cpmd
        - elegant
        - elpa
        - fftw
        - gromacs
        - lammps
        - astra
    - Programming_pckgs: &Programming_pckgs
        - autoconf
        - automake
        - binutils
        - bison
        - cmake
        - erlang
        - gcc
        - go
        - intel
        - openjdk
        - julia
        - libtool
        - lua
        - m4
        - nasm
        - perl
        - nvhpc+mpi
        - python
        - py-tensorflow
        - qt
        - r
        - tcl
        - tk
    - System_pckgs: &System_pckgs
        - bash
        - filebench
        - ior
        - mdtest
        - nmap
        - patchelf
        - unison
    - Tools_pckgs: &Tools_pckgs
        - aria2
        - asciidoc
        - coreutils
        - emacs
        - ffmpeg
        - gaussian
        - gettext
        - git
        - global
        - gnupg
        - gnuplot
        - gnutls
        - hdfview
        - krb5
        - kubernetes
        - namd
        - ncview
        - openjpeg
        - openssl
        - orca
        - paraview
        - texlive
        - tmux
        - uncrustify
        - vim
        - visit
        - xmlto
        - xz
  include:
    - sysconfigs/config.yaml
    - sysconfigs/compilers.yaml
    - sysconfigs/packages.yaml
#>>> modules.yaml
  modules:
    Batchsystem:
      use_view: Batchsystem
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: &Batchsystem_module_root /afs/psi.ch/sys/spack-rhel7/Batchsystem
      tcl:
        blacklist_implicits: true
        include: *Batchsystem_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
          environment:
            prepend_path:
              # equivalent to module-addgroup Batchsystem
              MODULEPATH: *Batchsystem_module_root
            set:
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
        slurm:
          environment:
            prepend_path:
              SLURM_CONF: '/etc/slurm/slurm.conf'
        projections: &unified_modules_projections
          all: modulefiles/{compiler.name}/{compiler.version}/{name}/{version}
          ^mpi: 'modulefiles/{compiler.name}/{compiler.version}/{name}/{version}/{^mpi.name}/{^mpi.version}'
          ~mpi: 'modulefiles/{compiler.name}/{compiler.version}/{name}_serial/{version}'
          threads=openmp: 'modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}'
    MPI:
      use_view: MPI
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: &MPI_module_root /afs/psi.ch/sys/spack-rhel7/MPI
      tcl:
        blacklist_implicits: true
        include: *MPI_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
          environment:
            # equivalent to module-addgroup MPI
            prepend_path:
              MODULEPATH: *MPI_module_root
            set:
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
              ${PACKAGE}_VERSION: '{version}'
        projections: *unified_modules_projections
    Compiler:
      use_view: Compiler
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: /afs/psi.ch/sys/spack-rhel7/Compiler
      tcl:
        blacklist_implicits: true
        include: *Compiler_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
          environment:
            set:
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
              ${PACKAGE}_VERSION: '{version}'
        intel-oneapi-mpi:
          environment:
            prepend_path:
              # equivalent to module-addgroup MPI
              MODULEPATH: *MPI_module_root
            set:
              I_MPI_CXX: 'mpiicpc'
              I_MPI_F77: 'mpiifort'
              I_MPI_F90: 'mpiifort'
              I_MPI_FC: 'mpiifort'
              I_MPI_ICC: 'mpiicc'
              MPIEXEC: 'mpiexec.hydra'
              MPIFC: 'mpiifort'
              MPIFORTRAN: 'mpiifort'
              MPIRUN: 'mpirun'
        mpich:
          environment:
            prepend_path:
              # equivalent to module-addgroup MPI
              MODULEPATH: *MPI_module_root
            set:
              MPIEXEC: ${prefix}/bin/mpiexec
              MPIFC: ${prefix}/bin/mpif90
              MPIFORTRAN: ${prefix}/bin/mpif90
              MPIRUN: ${prefix}/bin/mpirun
        openblas:
          environment:
            set:
              BLASLIB: ${prefix}/libopenblas.a
        openmpi:
          environment:
            prepend_path:
              # equivalent to module-addgroup MPI
              MODULEPATH: *MPI_module_root
            set:
              MPIEXEC: ${prefix}/bin/mpiexec
              MPIFC: ${prefix}/bin/mpif90
              MPIFORTRAN: ${prefix}/bin/mpif90
              MPIRUN: ${prefix}/bin/mpirun
        root:
          environment:
            set:
              ROOTSYS: ${prefix}
        projections: *unified_modules_projections
    Cuda:
      use_view: Cuda
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: &Cuda_module_root /afs/psi.ch/sys/spack-rhel7/cuda
      tcl:
        blacklist_implicits: true
        include: *Cuda_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
          environment:
            prepend_path:
              # equivalent to module-addgroup cuda
              MODULEPATH: *Cuda_module_root
            prepend_path:
              ${PACKAGE}_PATH: '{prefix}'
              LIBRARY_PATH: '{prefix}/lib64/stubs'
              LIBRARY_PATH: '{prefix}/targets/x86_64-linux/lib/stubs'
            set:
              ${PACKAGE}_DIR: '{prefix}'
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
              ${PACKAGE}_PATH: '{prefix}'
              ${PACKAGE}_VERSION: '{version}'
        projections: *unified_modules_projections
    EM:
      use_view: EM
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: &EM_module_root /afs/psi.ch/sys/spack-rhel7/EM
      tcl:
        blacklist_implicits: true
        include: *EM_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
          environment:
            prepend_path:
              # equivalent to module-addgroup EM
              MODULEPATH: *EM_module_root
            set:
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
              ${PACKAGE}_VERSION: '{version}'
        projections: *unified_modules_projections
    HDF5:
      use_view: HDF5
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: &HDF5_module_root /afs/psi.ch/sys/spack-rhel7/HDF5
      tcl:
        blacklist_implicits: true
        include: *HDF5_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
            - 'HDF5_serial'
          environment:
            prepend_path:
              # equivalent to module-addgroup HDF5
              MODULEPATH: *HDF5_module_root
            set:
              ${PACKAGE}_ROOT: '{prefix}'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
        projections: *unified_modules_projections
    HDF5_serial:
      use_view: HDF5_serial
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: &HDF5_serial_module_root /afs/psi.ch/sys/spack-rhel7/HDF5_serial
      tcl:
        blacklist_implicits: true
        include: *HDF5_serial_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
            - 'HDF5_serial'
          environment:
            prepend_path:
              # equivalent to module-addgroup HDF5_serial
              MODULEPATH: *HDF5_serial_module_root
            set:
              ${PACKAGE}_DIR: '{prefix}'
              ${PACKAGE}_HOME: '{prefix}'
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib64'
              ${PACKAGE}_PREFIX: '{prefix}'
              ${PACKAGE}_ROOT: '{prefix}'
              ${PACKAGE}_VERSION: '{version}'
        projections: *unified_modules_projections
    Librairies:
      use_view: Librairies
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: &Librairies_module_root /afs/psi.ch/sys/spack-rhel7/Librairies
      tcl:
        blacklist_implicits: true
        include: *Librairies_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
          environment:
            prepend_path:
              # equivalent to module-addgroup Librairies
              MODULEPATH: *Librairies_module_root
            set:
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
              ${PACKAGE}_VERSION: '{version}'
        projections: *unified_modules_projections
    MX:
      use_view: MX
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: &MX_module_root /afs/psi.ch/sys/spack-rhel7/MX
      tcl:
        blacklist_implicits: true
        include: *MX_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
          environment:
            prepend_path:
              # equivalent to module-addgroup MX
              MODULEPATH: *MX_module_root
            set:
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
              ${PACKAGE}_VERSION: '{version}'
        projections: *unified_modules_projections
    Programming:
      use_view: Programming
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: &Programming_module_root /afs/psi.ch/sys/spack-rhel7/Programming
      tcl:
        blacklist_implicits: true
        include: *Programming_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
          environment:
            prepend_path:
              # equivalent to module-addgroup Programming
              MODULEPATH: *Programming_module_root
            set:
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
              ${PACKAGE}_VERSION: '{version}'
        nvhpc:
          environment:
            set:
              ARCH_VERSION: $NVARCH/'$env(PGI_VERSION)'
              CPP: '{prefix}/$ARCH_VERSION/compilers/bin/nvprepro'
              F90: '{prefix}/$ARCH_VERSION/compilers/bin/pgf90'
              F95: '{prefix}/$ARCH_VERSION/compilers/bin/pgf95'
              FORTRAN: '{prefix}/$ARCH_VERSION/compilers/bin/pgfortran'
              NVARCH: '{arch}'
              NVCOMPILERS: '{prefix}'
              PGI: '{prefix}'
        projections: *unified_modules_projections
    System:
      use_view: System
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: &System_module_root /afs/psi.ch/sys/spack-rhel7/System
      tcl:
        blacklist_implicits: true
        include: *System_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
          environment:
            prepend_path:
              # equivalent to module-addgroup System
              MODULEPATH: *System_module_root
            set:
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
              ${PACKAGE}_VERSION: '{version}'
        projections: *unified_modules_projections
    Tools:
      use_view: Tools
      arch_folder: false
      enable:
      - tcl
      roots:
        tcl: &Tools_module_root /afs/psi.ch/sys/spack-rhel7/Tools
      tcl:
        blacklist_implicits: true
        include: *Tools_pckgs
        exclude: *Compilers
        all:
          autoload: direct
          conflict:
            - '{name}'
          environment:
            # equivalent to module-addgroup Tools
            prepend_path:
              MODULEPATH: *Tools_module_root
            set:
              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
              ${PACKAGE}_VERSION: '{version}'
        projections: *unified_modules_projections
    prefix_inspections:
      '':
        - CMAKE_PREFIX_PATH
      bin:
        - PATH
      include:
        - C_INCLUDE_PATH
        - CPLUS_INCLUDE_PATH
      lib:
        - LIBRARY_PATH
        - LD_LIBRARY_PATH
      lib/pkgconfig:
        - PKG_CONFIG_PATH
      lib64:
        - LIBRARY_PATH
        - LD_LIBRARY_PATH
      lib64/pkgconfig:
        - PKG_CONFIG_PATH
      man:
        - MANPATH
      share/aclocal:
        - ACLOCAL_PATH
      share/man:
        - MANPATH
      share/pkgconfig:
        - PKG_CONFIG_PATH
#<<<
  specs:
    - $Compiler_pckgs
  view:
    Batchsystem:
      link: all
      link_type: symlink
      projections: &unified_projections
        ^mpi: '{name}/{version}/{^mpi.name}/{^mpi.version}/{compiler.name}/{compiler.version}'
        all: '{name}/{version}/{compiler.name}/{compiler.version}'
        ~mpi: '{name}_serial/{version}/{compiler.name}/{compiler.version}'
        threads=openmp: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
      root: /afs/psi.ch/sys/spack-rhel7/Batchsystem
      select: *Batchsystem_pckgs
    Compiler:
      link: all
      link_type: symlink
      projections: *unified_projections
      root: /afs/psi.ch/sys/spack-rhel7/Compiler
      select: *Compiler_pckgs
    Cuda:
      link: all
      link_type: symlink
      projections: *unified_projections
      root: /afs/psi.ch/sys/spack-rhel7/cuda
      select: *Cuda_pckgs
    EM:
      link: all
      link_type: symlink
      projections: *unified_projections
      root: /afs/psi.ch/sys/spack-rhel7/EM
      select: *EM_pckgs
    HDF5:
      link: all
      link_type: symlink
      projections: *unified_projections
      root: /afs/psi.ch/sys/spack-rhel7/HDF5
      select: *HDF5_pckgs
    HDF5_serial:
      link: all
      link_type: symlink
      projections: *unified_projections
      root: /afs/psi.ch/sys/spack-rhel7/HDF5_serial
      select: *HDF5_serial_pckgs
    Librairies:
      link: all
      link_type: symlink
      projections: *unified_projections
      root: /afs/psi.ch/sys/spack-rhel7/Librairies
      select: *Librairies_pckgs
    MPI:
      link: all
      link_type: symlink
      projections: *unified_projections
      root: /afs/psi.ch/sys/spack-rhel7/MPI
      select: *MPI_pckgs
    MX:
      link: all
      link_type: symlink
      projections: *unified_projections
      root: /afs/psi.ch/sys/spack-rhel7/MX
      select: *MX_pckgs
    Programming:
      link: all
      link_type: symlink
      projections: *unified_projections
      root: /afs/psi.ch/sys/spack-rhel7/Programming
      select: *Programming_pckgs
    System:
      link: all
      link_type: symlink
      projections: *unified_projections
      root: /afs/psi.ch/sys/spack-rhel7/System
      select: *System_pckgs
    Tools:
      link: all
      link_type: symlink
      projections: *unified_projections
      root: /afs/psi.ch/sys/spack-rhel7/Tools
      select: *Tools_pckgs