diff --git a/stacks/pinot-noir-gcc13/packages_kuma-h100.yaml b/stacks/pinot-noir-gcc13/packages_kuma-h100.yaml index 24cfbbbaa609c80a0ceb883e4e6c8ff737c810c6..967c89d4078b06a5c1b3315d519d23d3e11a86fb 100644 --- a/stacks/pinot-noir-gcc13/packages_kuma-h100.yaml +++ b/stacks/pinot-noir-gcc13/packages_kuma-h100.yaml @@ -67,7 +67,7 @@ packages: quantum-espresso: require: - - spec: '+nvptx' + - spec: '+nvtx' suite-sparse: require: diff --git a/stacks/pinot-noir-gcc13/packages_kuma-l40s.yaml b/stacks/pinot-noir-gcc13/packages_kuma-l40s.yaml index 7bd8e10f57794bcdca4306c000996250c6bccc5e..323b8b2a12d01ea19517423ef5ffa32dbc9bba9d 100644 --- a/stacks/pinot-noir-gcc13/packages_kuma-l40s.yaml +++ b/stacks/pinot-noir-gcc13/packages_kuma-l40s.yaml @@ -67,7 +67,7 @@ packages: quantum-espresso: require: - - spec: '+nvptx' + - spec: '+nvtx' suite-sparse: require: diff --git a/stacks/pinot-noir-gcc13/packages_stack.yaml b/stacks/pinot-noir-gcc13/packages_stack.yaml index d4434c4ef4a8fa120fa1de0ec42b7e3c8984f129..cb65c2b53a9a7c392b23883bd0becdbc6ad99db3 100644 --- a/stacks/pinot-noir-gcc13/packages_stack.yaml +++ b/stacks/pinot-noir-gcc13/packages_stack.yaml @@ -234,6 +234,12 @@ packages: py-setuptools: require: ['@63.4.3'] + quantum-espresso: + require: + - spec: '++mpi +gipaw +scalapack hdf5=parallel' + - spec: '~openmp' + when: '%gcc' + rust: require: ['+dev']