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| author | Harmen Stoppels <me@harmenstoppels.nl> | 2023-10-20 16:20:20 +0200 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2023-10-20 16:20:20 +0200 |
| commit | 4bade7ef967ca07fce9e46c1d1f466618fd5c987 (patch) | |
| tree | 5105ac44175fc9c9a8ba50f788cadef58efe3b9f /share | |
| parent | a0e33bf7b0223c24d031ebf2c882a87579d8ec35 (diff) | |
| download | spack-4bade7ef967ca07fce9e46c1d1f466618fd5c987.tar.gz spack-4bade7ef967ca07fce9e46c1d1f466618fd5c987.tar.bz2 spack-4bade7ef967ca07fce9e46c1d1f466618fd5c987.tar.xz spack-4bade7ef967ca07fce9e46c1d1f466618fd5c987.zip | |
gromacs +cp2k: build in CI (#40494)
* gromacs +cp2k: build in CI
* libxsmm: x86 only
* attempt to fix dbcsr + new mpich
* use c11 standard
* gromacs: does not depend on dbcsr
* cp2k: build with cmake in CI, s.t. dbcsr is a separate package
* cp2k: cmake patches for config files and C/C++ std
* cp2k: remove unnecessary constraints due to patch
Diffstat (limited to 'share')
3 files changed, 3 insertions, 0 deletions
diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml index db903c15c4..d42e5f1fca 100644 --- a/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml +++ b/share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml @@ -101,6 +101,7 @@ spack: - gmp - gotcha - gptune ~mpispawn + - gromacs +cp2k ^cp2k build_system=cmake - h5bench - hdf5-vol-async - hdf5-vol-cache diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml index 5f8f3d0e62..10bf4bc57d 100644 --- a/share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml +++ b/share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml @@ -101,6 +101,7 @@ spack: - gmp - gotcha - gptune + - gromacs +cp2k ^cp2k build_system=cmake - h5bench - hdf5-vol-async - hdf5-vol-cache diff --git a/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml b/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml index 410a379ee0..86eab1d407 100644 --- a/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml +++ b/share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml @@ -107,6 +107,7 @@ spack: - gmp - gotcha - gptune ~mpispawn + - gromacs +cp2k ^cp2k build_system=cmake - h5bench - hdf5-vol-async - hdf5-vol-cache |