diff --git a/stacks/pinot-noir/definitions_stack.yaml b/stacks/pinot-noir/definitions_stack.yaml index bb46d729b7db075741cc28ab35fc262cba625feb..6e8bcffb3f3554ce9eed7835abac463062d32c9d 100644 --- a/stacks/pinot-noir/definitions_stack.yaml +++ b/stacks/pinot-noir/definitions_stack.yaml @@ -257,7 +257,7 @@ definitions: - cgal - cp2k ++mpi +plumed +openmp smm=blas - fenics-dolfinx - - gromacs ++mpi +plumed + - gromacs@2024.3 ++mpi +plumed - iq-tree@1.6.12++mpi - lammps - neuron ++mpi +python diff --git a/stacks/pinot-noir/packages_stack.yaml b/stacks/pinot-noir/packages_stack.yaml index f3851e9b5dbd548da363ffb6ede8e92fed1594f5..e7e2c51ec4e8be9100590d1e132c5e7a944d3165 100644 --- a/stacks/pinot-noir/packages_stack.yaml +++ b/stacks/pinot-noir/packages_stack.yaml @@ -280,6 +280,7 @@ packages: plumed: require: ['optional_modules=all', '+gsl', '+mpi'] + prefer: ['@2.9.0'] # to not reinstall new versions of all dependents python: require: