53 lines
1000 B
YAML
53 lines
1000 B
YAML
spack:
|
|
concretizer:
|
|
unify: when_possible
|
|
config:
|
|
build_stage:
|
|
- /scratch/spack/spack-stage
|
|
definitions:
|
|
- aocc_mpi:
|
|
- ^cray-mpich
|
|
- aocc_pckgs:
|
|
- gromacs@2022.5
|
|
- cce_mpi:
|
|
- ^cray-mpich
|
|
- cce_pckgs:
|
|
- gromacs@2022.5
|
|
- gcc_11.2.0_mpi:
|
|
- ^cray-mpich
|
|
- gcc_11.2.0_pckgs:
|
|
- gromacs@2023 +mpi +cuda
|
|
- h5hut +mpi
|
|
- lammps
|
|
- trilinos ~fortran
|
|
- intel_mpi:
|
|
- ^cray-mpich
|
|
- intel_pckgs:
|
|
- gromacs@2022.5
|
|
- nvhpc_mpi:
|
|
- ^cray-mpich
|
|
- nvhpc_pckgs:
|
|
- quantum-espresso +mpi+cuda hdf5=parallel
|
|
include:
|
|
- ../sysconfigs/packages.yaml
|
|
- ../sysconfigs/compilers.yaml
|
|
- ../sysconfigs/modules.yaml
|
|
specs:
|
|
- matrix:
|
|
- [$aocc_pckgs]
|
|
- [$aocc_mpi]
|
|
- ['%aocc@3.1.0']
|
|
- matrix:
|
|
- [$cce_pckgs]
|
|
- [$cce_mpi]
|
|
- ['%cce@13.0.0']
|
|
- matrix:
|
|
- [$gcc_11.2.0_pckgs]
|
|
- [$gcc_11.2.0_mpi]
|
|
- ['%gcc@11.2.0']
|
|
- matrix:
|
|
- [$nvhpc_pckgs]
|
|
- [$nvhpc_mpi]
|
|
- ['%nvhpc@20.9']
|
|
view: false
|