diff --git a/env/merlin/spack.yaml b/env/merlin/spack.yaml index 03bf6aa..8b68cb2 100644 --- a/env/merlin/spack.yaml +++ b/env/merlin/spack.yaml @@ -13,29 +13,25 @@ spack: - 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%clang - - boost%gcc - - boost%nvhpc - - boost%oneapi - - clhep%gcc - - eigen%gcc - - geant4%gcc - - googletest%gcc - - gsl%gcc - - intel-oneapi-mpi%oneapi - - kokkos%gcc - - libint%oneapi tune=cp2k-lmax-6 ^gmp%oneapi - - libxc%oneapi - - libxsmm%oneapi - - mpich%gcc netmod=ucx - - openblas%gcc threads=none - - openblas%gcc threads=openmp - - openmpi%gcc - - root%gcc ~tbb~x - - superlu%gcc - - vtk%gcc + # - atlas + # - clapack + - boost + - clhep + - eigen + - geant4 + - googletest + - gsl + - intel-oneapi-mpi + - kokkos + - libint + - libxc + - libxsmm + - mpich + - openblas + - openmpi + - root + - superlu + - vtk - Cuda_pckgs: &Cuda_pckgs - cuda - EM_pckgs: &EM_pckgs @@ -546,7 +542,22 @@ spack: - PKG_CONFIG_PATH #<<< specs: - - $Compiler_pckgs + - matrix: + - [alps, geant4, gromacs, h5hut+mpi, lammps, r, superlu, visit, vtk, root ~tbb + ~x] + - ['%gcc'] + - [^openmpi] + - [^openblas] + - matrix: + - [cp2k] + - ['%oneapi'] + - [^intel-oneapi-mpi] + - [^intel-oneapi-mkl] + - matrix: + - [relion +cuda] + - ['%nvhpc'] + - [^openmpi] + - [^openblas] view: Batchsystem: link: all