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gromacs: fix build on Darwin, add OpenMP for Darwin

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Gromacs enables OpenMP by default and fails its configure
if it can not build with OpenMP.
This commit is contained in:
Markus Kowalewski 2024-02-02 11:02:55 +01:00
parent 5071e8ca11
commit 13eb3a2abe
1 changed files with 2 additions and 1 deletions
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3
pkgs/applications/science/molecular-dynamics/gromacs/default.nix
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@ -7,6 +7,7 @@
, perl
, blas
, lapack
, llvmPackages
, mpi
, cudaPackages
, plumed
@ -77,7 +78,7 @@ in stdenv.mkDerivation rec {
cudaPackages.cuda_cudart
cudaPackages.libcufft
cudaPackages.cuda_profiler_api
];
] ++ lib.optional stdenv.isDarwin llvmPackages.openmp;
propagatedBuildInputs = lib.optional enableMpi mpi;
propagatedUserEnvPkgs = lib.optional enableMpi mpi;