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

ADD: mpi, blas, python definitions

Browse Source
This commit is contained in:
Germann Elsa Sylvia
2022-09-29 10:15:19 +02:00
parent 3d24e31dc0
commit 95f0395d50
1 changed files with 16 additions and 7 deletions
Download Patch File Download Diff File Expand all files Collapse all files

23
env/merlin/spack.yaml vendored
View File

@ -541,20 +541,29 @@ spack:
share/pkgconfig:
- 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:
- matrix:
- [alps, geant4]
- ['%gcc@8.3.0']
- [^openmpi]
- [^openblas]
- [^boost@1.63.0+python+numpy cxxstd=11 +icu ^icu4c cxxstd=11 ^py-numpy@1.19.5
^python@3.6.13]
- [$mpi]
- [$blas]
- [^boost@1.63.0+python+numpy cxxstd=11 +icu ^icu4c cxxstd=11]
- [$python]
- matrix:
- [gromacs, h5hut+mpi, lammps, visit]
- ['%gcc@12.1.0']
- [^openmpi]
- [^openblas]
- [^py-numpy@1.19.5%gcc@8.3.0 ^python@3.6.13%gcc@8.3.0]
- [$mpi]
- [$blas]
- [$python]
# to be fixed
# - matrix:
# - [cp2k]