diff --git a/stacks/pinot-noir/spack.yaml b/stacks/pinot-noir/spack.yaml index 13371cc5d4b128fab1f71d232578fe162b56ed78..df7b435fb3dc16f1b8a18ac048db366749ab013b 100644 --- a/stacks/pinot-noir/spack.yaml +++ b/stacks/pinot-noir/spack.yaml @@ -146,7 +146,7 @@ spack: - mpi_codes: - fftw +mpi +openmp - hdf5@1.14.3 +mpi - - openfoam-org +metis ^scotch+mpi + - openfoam-org +metis - osu-micro-benchmarks +graphing - parmetis - phylobayesmpi @@ -204,6 +204,28 @@ spack: - py-h5py - cp2k +mpi +plumed +openmp smm=blas + # ------------------------------------------------------------------------- + # External packages + # ------------------------------------------------------------------------- + - external_packages: [] + - when env['environment_type'] != 'cloud': + external_packages: + - ansys + - cfdplusplus + - comsol + - fdtd + - gurobi + - gaussian + - matlab + - maple + - mathematica + - molpro + - smr + + - when env['environment_type'] != 'cloud': + blas_mpi_codes: + vasp +hdf5 +scalapack +shmem +wannier90 + # ------------------------------------------------------------------------- # Generic definitions # -------------------------------------------------------------------------