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.
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1 changed files with 2 additions and 1 deletions
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@ -7,6 +7,7 @@
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, perl
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, perl
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, blas
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, blas
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, lapack
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, lapack
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, llvmPackages
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, mpi
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, mpi
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, cudaPackages
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, cudaPackages
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, plumed
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, plumed
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@ -77,7 +78,7 @@ in stdenv.mkDerivation rec {
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cudaPackages.cuda_cudart
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cudaPackages.cuda_cudart
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cudaPackages.libcufft
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cudaPackages.libcufft
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cudaPackages.cuda_profiler_api
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cudaPackages.cuda_profiler_api
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];
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] ++ lib.optional stdenv.isDarwin llvmPackages.openmp;
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propagatedBuildInputs = lib.optional enableMpi mpi;
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propagatedBuildInputs = lib.optional enableMpi mpi;
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propagatedUserEnvPkgs = lib.optional enableMpi mpi;
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propagatedUserEnvPkgs = lib.optional enableMpi mpi;
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