HPCE/spack-psi
0
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

ADD: specs that works together

Browse Source
This commit is contained in:
Germann Elsa Sylvia
2022-09-21 14:23:34 +02:00
parent 188422bf29
commit 3d24e31dc0
1 changed files with 24 additions and 23 deletions
Download Patch File Download Diff File Expand all files Collapse all files

47
env/merlin/spack.yaml vendored
View File

@ -542,29 +542,30 @@ spack:
- PKG_CONFIG_PATH - PKG_CONFIG_PATH
#<<< #<<<
specs: specs:
- matrix: - matrix:
- [alps, geant4] - [alps, geant4]
- ['%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
- matrix: ^python@3.6.13]
- [gromacs, h5hut+mpi, lammps, vtk] - matrix:
- ['%gcc@12.1.0'] - [gromacs, h5hut+mpi, lammps, visit]
- [^openmpi] - ['%gcc@12.1.0']
- [^openblas] - [^openmpi]
# to be fixed - [^openblas]
# - matrix: - [^py-numpy@1.19.5%gcc@8.3.0 ^python@3.6.13%gcc@8.3.0]
# - [cp2k] # to be fixed
# - ['%oneapi'] # - matrix:
# - [^intel-oneapi-mpi] # - [cp2k]
# - [^intel-oneapi-mkl] # - ['%oneapi']
# - matrix: # - [^intel-oneapi-mpi]
# - [relion +cuda] # - [^intel-oneapi-mkl]
# - ['%nvhpc'] # - matrix:
# - [^openmpi] # - [relion +cuda]
# - [^openblas] # - ['%nvhpc']
# # - [^openmpi]
# - [^openblas]
view: view:
Batchsystem: Batchsystem:
link: all link: all