Add gromacs 2024 ~mpi

63d2069c · Daniel Filipe Jana · 46f6bbeb · 63d2069c
Commit 63d2069c authored 8 months ago by Daniel Filipe Jana
--- a/stacks/pinot-noir/definitions_stack.yaml
+++ b/stacks/pinot-noir/definitions_stack.yaml
@@ -99,6 +99,7 @@ definitions:

  - gcc_blas_codes:
      - armadillo +hdf5 ^arpack-ng ~~mpi ^hdf5 ~~mpi
+      - gromacs ~mpi ^fftw ~mpi
      - octave

  # -------------------------------------------------------------------------