--- spack: concretizer: unify: false config: allow_sgid: false build_stage: - $spack/../user/$user/spack-stage install_tree: root: $spack/opt/spack/unstable include: - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml mirrors: 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 view: false