From 4bade7ef967ca07fce9e46c1d1f466618fd5c987 Mon Sep 17 00:00:00 2001 From: Harmen Stoppels Date: Fri, 20 Oct 2023 16:20:20 +0200 Subject: 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 --- share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml | 1 + share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml | 1 + share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml | 1 + 3 files changed, 3 insertions(+) (limited to 'share') 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 -- cgit v1.2.3-70-g09d2