{ 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 ]; }; }