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| author | Markus Kowalewski <markus.kowalewski@fysik.su.se> | 2019-10-07 13:03:13 +0200 |
|---|---|---|
| committer | Markus Kowalewski <markus.kowalewski@fysik.su.se> | 2019-10-07 13:03:13 +0200 |
| commit | ea45dc1053d560d8b3b1e2a386a0a014b4b60b4a (patch) | |
| tree | 4c4717b1ee08e3561f78bb5d3d6d39257e97ac2b | |
| parent | 8c6ee4fe16c5bc117e017ae1066a2f1c36949130 (diff) | |
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gromacs: add perl to buildInputs
| -rw-r--r-- | pkgs/applications/science/molecular-dynamics/gromacs/default.nix | 19 |
1 files changed, 10 insertions, 9 deletions
diff --git a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix index a2d3722cde9f..d720f5ea0787 100644 --- a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix +++ b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix @@ -1,9 +1,9 @@ - -{ stdenv, fetchurl, cmake, - singlePrec ? true, - mpiEnabled ? false, - fftw, - openmpi +{ stdenv, fetchurl, cmake +, singlePrec ? true +, mpiEnabled ? false +, fftw +, openmpi +, perl }: @@ -15,13 +15,14 @@ stdenv.mkDerivation { sha256 = "0rqqrbjrdhprlw2z6cqid59xwxfdx05ikvywppvdp8f8vzp6chxs"; }; - buildInputs = [cmake fftw] + nativeBuildInputs = [ cmake ]; + buildInputs = [ fftw perl ] ++ (stdenv.lib.optionals mpiEnabled [ openmpi ]); cmakeFlags = '' ${if singlePrec then "-DGMX_DOUBLE=OFF" else "-DGMX_DOUBLE=ON -DGMX_DEFAULT_SUFFIX=OFF"} - ${if mpiEnabled then "-DGMX_MPI:BOOL=TRUE - -DGMX_CPU_ACCELERATION:STRING=SSE4.1 + ${if mpiEnabled then "-DGMX_MPI:BOOL=TRUE + -DGMX_CPU_ACCELERATION:STRING=SSE4.1 -DGMX_OPENMP:BOOL=TRUE -DGMX_THREAD_MPI:BOOL=FALSE" else "-DGMX_MPI:BOOL=FALSE" } |