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Merge pull request #70602 from r-ryantm/auto-update/gromacs

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gromacs: 2019.3 -> 2019.4
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markuskowa 2019-10-07 14:43:39 +02:00 committed by GitHub
commit 86d97bb02c
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1 changed files with 13 additions and 12 deletions
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21
pkgs/applications/science/molecular-dynamics/gromacs/default.nix
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@ -1,21 +1,22 @@
{ stdenv, fetchurl, cmake
{ stdenv, fetchurl, cmake, , singlePrec ? true
singlePrec ? true, , mpiEnabled ? false
mpiEnabled ? false, , fftw
fftw, , openmpi
openmpi , perl
}: }:
stdenv.mkDerivation { stdenv.mkDerivation {
name = "gromacs-2019.3"; name = "gromacs-2019.4";
src = fetchurl { src = fetchurl {
url = "ftp://ftp.gromacs.org/pub/gromacs/gromacs-2019.3.tar.gz"; url = "ftp://ftp.gromacs.org/pub/gromacs/gromacs-2019.4.tar.gz";
sha256 = "0wvm6lj4hbasl2qkjcpicqjh7abxji4196dd2hmwlyivpycaa4a2"; sha256 = "0rqqrbjrdhprlw2z6cqid59xwxfdx05ikvywppvdp8f8vzp6chxs";
}; };
buildInputs = [cmake fftw] nativeBuildInputs = [ cmake ];
buildInputs = [ fftw perl ]
++ (stdenv.lib.optionals mpiEnabled [ openmpi ]); ++ (stdenv.lib.optionals mpiEnabled [ openmpi ]);
cmakeFlags = '' cmakeFlags = ''