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ADD: mpi, blas, python definitions

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Germann Elsa Sylvia
2022-09-29 10:15:19 +02:00
parent 3d24e31dc0
commit 95f0395d50
1 changed files with 16 additions and 7 deletions
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23
env/merlin/spack.yaml vendored
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@ -541,20 +541,29 @@ spack:
share/pkgconfig: share/pkgconfig:
- PKG_CONFIG_PATH - PKG_CONFIG_PATH
#<<< #<<<
definitions:
- mpi:
- ^openmpi@4.1.4%gcc@8.3.0+cuda fabrics=ucx,xpmem,knem,ofi,cma,hcoll schedulers=slurm
+pmi ^ucx@1.13.0 ^cuda@11.5.1 ^slurm@21-08-8-2 ^hwloc@2.7.1 ^knem@1.1.4 ^xpmem@2.6.5-36
^pmix@4.1.2
- python:
- ^py-numpy@1.19.5%gcc@8.3.0 ^python@3.6.13%gcc@8.3.0
- blas:
- ^openblas%gcc@8.3.0
specs: specs:
- matrix: - matrix:
- [alps, geant4] - [alps, geant4]
- ['%gcc@8.3.0'] - ['%gcc@8.3.0']
- [^openmpi] - [$mpi]
- [^openblas] - [$blas]
- [^boost@1.63.0+python+numpy cxxstd=11 +icu ^icu4c cxxstd=11 ^py-numpy@1.19.5 - [^boost@1.63.0+python+numpy cxxstd=11 +icu ^icu4c cxxstd=11]
^python@3.6.13] - [$python]
- matrix: - matrix:
- [gromacs, h5hut+mpi, lammps, visit] - [gromacs, h5hut+mpi, lammps, visit]
- ['%gcc@12.1.0'] - ['%gcc@12.1.0']
- [^openmpi] - [$mpi]
- [^openblas] - [$blas]
- [^py-numpy@1.19.5%gcc@8.3.0 ^python@3.6.13%gcc@8.3.0] - [$python]
# to be fixed # to be fixed
# - matrix: # - matrix:
# - [cp2k] # - [cp2k]