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.
This commit is contained in:
Markus Kowalewski 2024-02-02 11:02:55 +01:00
parent 5071e8ca11
commit 13eb3a2abe

View file

@ -7,6 +7,7 @@
, perl , perl
, blas , blas
, lapack , lapack
, llvmPackages
, mpi , mpi
, cudaPackages , cudaPackages
, plumed , plumed
@ -77,7 +78,7 @@ in stdenv.mkDerivation rec {
cudaPackages.cuda_cudart cudaPackages.cuda_cudart
cudaPackages.libcufft cudaPackages.libcufft
cudaPackages.cuda_profiler_api cudaPackages.cuda_profiler_api
]; ] ++ lib.optional stdenv.isDarwin llvmPackages.openmp;
propagatedBuildInputs = lib.optional enableMpi mpi; propagatedBuildInputs = lib.optional enableMpi mpi;
propagatedUserEnvPkgs = lib.optional enableMpi mpi; propagatedUserEnvPkgs = lib.optional enableMpi mpi;