pyrox.dev
Merge pull request #285772 from markuskowa/fix-gromacs
gromacs: fix build on Darwin, add OpenMP for Darwin
authored by Weijia Wang and committed by GitHub 48c81e46 11ef076a
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pkgs/applications/science/molecular-dynamics/gromacs/default.nix
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pkgs/applications/science/molecular-dynamics/gromacs/default.nix
···
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, perl
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, blas
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, lapack
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, llvmPackages
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, mpi
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, cudaPackages
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, plumed
···
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cudaPackages.cuda_cudart
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cudaPackages.libcufft
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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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propagatedUserEnvPkgs = lib.optional enableMpi mpi;