From a3ee399a3f21694b5f3fd83751afb404ea43d713 Mon Sep 17 00:00:00 2001 From: "svcusr-spack (Resp. Germann Elsa Sylvia)" Date: Wed, 19 Jun 2024 09:36:22 +0200 Subject: [PATCH] FIX: use definitions for unstable env (rhel7) --- env/rhel7/x86_64/admin/unstable/spack.yaml | 16 +++++++++++----- 1 file changed, 11 insertions(+), 5 deletions(-) diff --git a/env/rhel7/x86_64/admin/unstable/spack.yaml b/env/rhel7/x86_64/admin/unstable/spack.yaml index a310887..d1b44f9 100644 --- a/env/rhel7/x86_64/admin/unstable/spack.yaml +++ b/env/rhel7/x86_64/admin/unstable/spack.yaml @@ -8,6 +8,13 @@ spack: - $spack/../user/$user/spack-stage install_tree: root: $spack/opt/spack/unstable + definitions: + - gcc_12.3.0_openmpi: + - cp2k@2024.1/2bayb45 # ~cuda + - cp2k@2024.1/exkrpix # +cuda + - quantum-espresso@7.3.1/yuxkoz2 # hdf5=parallel + - opal@master/l4dkgyf + - py-alphafold@2.3.2/rrfdppp # ~cuda include: - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml @@ -15,9 +22,8 @@ spack: local_unstable: file:///afs/psi.ch/software/spack/unstable local_stable: file:///afs/psi.ch/software/spack/stable specs: - - quantum-espresso/yuxkoz2 # quantum-espresso%gcc@12.3.0 ^openmpi - - cp2k/2bayb45 # cp2k@2024.1%gcc@12.3.0 ^openmpi - - cp2k/exkrpix # cp2k@2024.1%gcc@12.3.0 +cuda ^openmpi - - opal/l4dkgyf # opal@master%gcc@12.3.0 ^openmpi - - py-alphafold/rrfdppp # py-alphafold@2.3.2%gcc@12.3.0 ~cuda + - matrix: + - [$gcc_12.3.0_openmpi] + - [^openmpi] + - ['%gcc@12.3.0'] view: false