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ADD: specs that works together

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Germann Elsa Sylvia
2022-09-21 14:23:34 +02:00
parent 188422bf29
commit 3d24e31dc0
1 changed files with 24 additions and 23 deletions
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29
env/merlin/spack.yaml vendored
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@ -547,24 +547,25 @@ spack:
- ['%gcc@8.3.0'] - ['%gcc@8.3.0']
- [^openmpi] - [^openmpi]
- [^openblas] - [^openblas]
- [^boost@1.63.0+python+numpy cxxstd=11 +icu ^icu4c cxxstd=11 ^py-numpy@1.19.5 ^python@3.6.13] - [^boost@1.63.0+python+numpy cxxstd=11 +icu ^icu4c cxxstd=11 ^py-numpy@1.19.5
^python@3.6.13]
- matrix: - matrix:
- [gromacs, h5hut+mpi, lammps, vtk] - [gromacs, h5hut+mpi, lammps, visit]
- ['%gcc@12.1.0'] - ['%gcc@12.1.0']
- [^openmpi] - [^openmpi]
- [^openblas] - [^openblas]
# to be fixed - [^py-numpy@1.19.5%gcc@8.3.0 ^python@3.6.13%gcc@8.3.0]
# - matrix: # to be fixed
# - [cp2k] # - matrix:
# - ['%oneapi'] # - [cp2k]
# - [^intel-oneapi-mpi] # - ['%oneapi']
# - [^intel-oneapi-mkl] # - [^intel-oneapi-mpi]
# - matrix: # - [^intel-oneapi-mkl]
# - [relion +cuda] # - matrix:
# - ['%nvhpc'] # - [relion +cuda]
# - [^openmpi] # - ['%nvhpc']
# - [^openblas] # - [^openmpi]
# # - [^openblas]
view: view:
Batchsystem: Batchsystem:
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