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| author | Markus Kowalewski <markus.kowalewski@gmail.com> | 2024-02-02 11:02:55 +0100 |
|---|---|---|
| committer | Markus Kowalewski <markus.kowalewski@gmail.com> | 2024-02-02 11:02:55 +0100 |
| commit | 13eb3a2abeea3a30339bcd75575d08a6644987f1 (patch) | |
| tree | 590dcd69083962764458179ded235ec1fdc42ed4 /pkgs/applications/science/molecular-dynamics | |
| parent | 5071e8ca11b73610f097496eaf97248379966043 (diff) | |
gromacs: fix build on Darwin, add OpenMP for Darwin
Gromacs enables OpenMP by default and fails its configure
if it can not build with OpenMP.
Diffstat (limited to 'pkgs/applications/science/molecular-dynamics')
| -rw-r--r-- | pkgs/applications/science/molecular-dynamics/gromacs/default.nix | 3 |
1 files changed, 2 insertions, 1 deletions
diff --git a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix index 80eee27eb2d9..b3a95034ca54 100644 --- a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix +++ b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix @@ -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; |