Spack setup for SuperMUC-NG

compilers.yaml

compilers:
- compiler:
    environment: {
      unset:
        F77
    }
    target: x86_64
    spec: intel@19.0.5.281
    paths:
      cc: /lrz/sys/intel/studio2019_u5/compilers_and_libraries_2019.5.281/linux/bin/intel64/icc
      fc: /lrz/sys/intel/studio2019_u5/compilers_and_libraries_2019.5.281/linux/bin/intel64/ifort
      cxx: /lrz/sys/intel/studio2019_u5/compilers_and_libraries_2019.5.281/linux/bin/intel64/icpc
      f77: /lrz/sys/intel/studio2019_u5/compilers_and_libraries_2019.5.281/linux/bin/intel64/ifort
    operating_system: sles12
    flags: {}
    extra_rpaths: [/usr/lib64/psm2-compat, /lrz/sys/intel/studio2019_u5/compilers_and_libraries_2019.5.281/linux/compiler/lib/intel64]
    modules: [intel/19.0]

packages.yaml

packages:
    openmpi:
        #modules:
        #    openmpi@4.0.1: openmpi/4.0.1-intel
        paths:
             openmpi@4.0.1: /dss/dsshome1/lrz/sys/spack/release/19.1/opt/x86_avx512/openmpi/4.0.1-intel-pxkyj3e
        buildable: False

#    intel-mpi:
#        paths:
#             intel-mpi@2019.6.154: /dss/dsshome1/lrz/sys/intel/impi2019u6/
#        #modules:
#        #     intel-mpi@2019.6.154: mpi.intel/2019
#        buildable: False

    hdf5:
        modules:
            hdf5@1.10.2~cxx~debug+fortran+mpi+threadsafe+hl: hdf5/1.10.2-intel-impi-frt-threadsafe
        buildable: False

    fftw:
        modules: 
            fftw@2.3.8: fftw/3.3.8-intel-openmp
        buildable: False

    openssl:
        paths:
            openssl@1.0.2j-fips: /usr/bin
        buildable: False

    openblas:
        modules:
            openblas@0.3.2: openblas/0.3.2
        buildable: False

#    mkl:
#        modules: 
#            mkl@2019: mkl/2019
#        buildable: False

    cmake:
        paths:
        #    cmake@3.5.2: /usr
             cmake@3.14.4: /dss/dsshome1/lrz/sys/spack/release/19.2/opt/x86_avx512/cmake/3.14.4-gcc-c2wamsw/bin
        #modules: 
        #    cmake@3.14.4: cmake/3.14.4
        buildable: False

    zlib:
        paths:
            zlib: /usr
        buildable: False

    autoconf:
        paths:
            autoconf: /usr
        buildable: False

    numactl:
        paths:
            numactl: /usr
        buildable: False

#    metis:
#        paths: 
#            metis@5.1.0 -int64 +real64 : /dss/dsshome1/lrz/sys/spack/release/19.2/opt/x86_avx512/metis/5.1.0-intel-ykx6aac
#            metis@5.1.0 +int64 +real64 : /dss/dsshome1/lrz/sys/spack/release/19.2/opt/x86_avx512/metis/5.1.0-intel-bw6gcsh
#        #modules:
#        #    metis@5.1.0 +int64 +real64: metis/5.1.0-intel-i64-r64
#        #    metis@5.1.0 -int64 +real64: metis/5.1.0-intel-i32-r64
#
#        buildable: False


    petsc:
        modules:
             petsc@3.8.4%intel+mpi+shared: petsc/3.8.4-impi-shared
             petsc@3.9.0%intel+mpi+shared: petsc/3.9.0-impi-shared
             petsc@3.10.2%intel+mpi+shared: petsc/3.10.2-impi-shared
#            petsc@3.12.2+mpi+shared+complex+int64+fftw: petsc/3.12.2-intel19-impi-shared-complex  
#            petsc@3.12.2+mpi+shared+complex+int64+fftw: petsc/3.12.2-intel19-impi-shared-complex-fftwomp
#        buildable: False

    python:
        modules:
            python@3.6: python/3.6_intel
            python@2.7: python/2.7_intel
        buildable: False
  
#    all:
#        compiler: [intel@19.0]
#        providers:
#            blas: [mkl] #[openblas]
#            mpi: [intel-mpi] #[openmpi]

# cf Mail vom 28.4.2020:
    intel-mpi:
        version:
            - 2019.6.154

    all:
        providers:      
            mpi: [lrzsys.intel-mpi]
            blas: [intel-mkl]
            daal: [intel-daal]
            gl: [mesa, opengl]
            glu: [mesa-glu, openglu]
            java: [jdk]
            jpeg: [libjpeg-turbo, libjpeg]
            lapack: [lrz.intel-mkl,openblas]
            mkl: [ lrz.intel-mkl]
            scalapack: [lrz.intel-mkl]
        compiler: [intel@19.0.4, intel@19.0.5]