cookbooks/aws-parallelcluster-environment/templates/spack/packages-zen2.yaml.erb

---  # Zen2/3 packages
packages:
  aocc:
    require:
      - one_of: ["aocc +license-agreed %gcc target=x86_64_v3"]
  gcc:
    require:
      - one_of: ["gcc@12 %gcc +binutils ^binutils@2.37 target=x86_64_v3"]
  gromacs:
    require:
      - one_of: ["+lapack+blas %intel ^intel-oneapi-mkl"]
  intel-mpi:
    variants: +external-libfabric
  intel-oneapi-compilers:
    require:
      - one_of: ["intel-oneapi-compilers %gcc target=x86_64_v3"]
  intel-oneapi-mpi:
    variants: +external-libfabric generic-names=True
  lammps:
    require:
      - one_of: ["lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package %intel ^intel-oneapi-mkl"]
  libidn2:
    require:
      - one_of: ['cflags=-std=c18', '%gcc']
  libfabric:
    buildable: false
    externals:
      - modules:
          - libfabric-aws/<%= @libfabric_version %>
        spec: libfabric@<%= @libfabric_version %> fabrics=efa
  libunistring:
    require:
      - one_of: ['cflags=-std=c18', '%gcc']
  mpas-model:
    require:
      - one_of: ["precision=single %intel ^parallelio+pnetcdf"]
  mpich:
    require:
      - one_of: ["mpich pmi=pmi2 device=ch4 netmod=ofi +slurm"]
  openfoam:
    require:
      - one_of: ["openfoam %gcc ^scotch@6.0.9"]
  openmpi:
    variants: ~atomics ~cuda ~cxx ~cxx_exceptions ~internal-hwloc ~java +legacylaunchers ~lustre ~memchecker +pmi +romio ~singularity +vt +wrapper-rpath fabrics=ofi schedulers=slurm
  palace:
    require:
      - one_of: ["palace ^fmt@9.1.0"]
  # TODO: Find out if we can get higher perf using intel-mkl with MKL_DEBUG_TYPE=5 or similar.
  py-devito:
    require:
      - one_of: ["py-devito %intel +mpi"]
  quantum-espresso:
    require:
      - one_of: ["quantum-espresso@6.6 %intel ^intel-mkl"]
  slurm:
    buildable: false
    externals:
      - prefix: /opt/slurm/
        spec: slurm@<%= node['cluster']['slurm']['version'] %> +pmix
  stream:
    require:
      - one_of: ["stream@5.10 +openmp cflags=\"-qopt-streaming-stores=always -mcmodel=large -O3 -shared-intel -qopenmp -DSTREAM_ARRAY_SIZE=268435456 -DNTIMES=100\""]
  wrf:
    require:
      - one_of: ["wrf@4 build_type=dm+sm %intel", "wrf@4.2.2 +netcdf_classic fflags=\"-fp-model fast=2 -no-heap-arrays -no-prec-div -no-prec-sqrt -fno-common\" build_type=dm+sm %intel"]
  all:
    compiler: [intel, gcc, clang]
    permissions:
      read: world
      write: user
    providers:
      blas: [intel-oneapi-mkl, intel-mkl]
      daal: [intel-oneapi-dal, intel-daal]
      fftw-api: [intel-oneapi-mkl, intel-mkl]
      ipp: [intel-oneapi-ipp, intel-ipp]
      lapack: [intel-oneapi-mkl, intel-mkl]
      mkl: [intel-oneapi-mkl, intel-mkl]
      mpi: [intel-oneapi-mpi, openmpi, mpich]
      tbb: [intel-oneapi-tbb, intel-tbb]
      scalapack: [intel-oneapi-mkl, intel-mkl]