nixpkgs/pkgs/applications/science/molecular-dynamics/dl-poly-classic/default.nix
Chris Ostrouchov 7717a2b844
dl-poly-classic: init 1.10
only mpi version provided
2018-10-15 08:43:50 -04:00

38 lines
854 B
Nix

{ stdenv, fetchurl
, gfortran, mpi
}:
stdenv.mkDerivation rec {
version = "1.10";
name = "DL_POLY_Classic-${version}";
src = fetchurl {
url = "https://ccpforge.cse.rl.ac.uk/gf/download/frsrelease/574/8924/dl_class_1.10.tar.gz";
sha256 = "1r76zvln3bwycxlmqday0sqzv5j260y7mdh66as2aqny6jzd5ld7";
};
buildInputs = [ mpi gfortran ];
configurePhase = ''
cd source
cp -v ../build/MakePAR Makefile
'';
buildPhase = ''
make dlpoly
'';
installPhase = ''
mkdir -p $out/bin
cp -v ../execute/DLPOLY.X $out/bin
'';
meta = with stdenv.lib; {
homepage = https://www.ccp5.ac.uk/DL_POLY_C;
description = "DL_POLY Classic is a general purpose molecular dynamics simulation package";
license = licenses.bsdOriginal;
platforms = [ "x86_64-linux" ];
maintainers = [ maintainers.costrouc ];
};
}