diff options
Diffstat (limited to 'nixpkgs/pkgs/applications/science/molecular-dynamics/dl-poly-classic/default.nix')
-rw-r--r-- | nixpkgs/pkgs/applications/science/molecular-dynamics/dl-poly-classic/default.nix | 39 |
1 files changed, 39 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/applications/science/molecular-dynamics/dl-poly-classic/default.nix b/nixpkgs/pkgs/applications/science/molecular-dynamics/dl-poly-classic/default.nix new file mode 100644 index 000000000000..cf4584979ba2 --- /dev/null +++ b/nixpkgs/pkgs/applications/science/molecular-dynamics/dl-poly-classic/default.nix @@ -0,0 +1,39 @@ +{ lib, stdenv, fetchurl +, gfortran, mpi +}: + +stdenv.mkDerivation { + version = "1.10"; + pname = "DL_POLY_Classic"; + + src = fetchurl { + url = "https://ccpforge.cse.rl.ac.uk/gf/download/frsrelease/574/8924/dl_class_1.10.tar.gz"; + sha256 = "1r76zvln3bwycxlmqday0sqzv5j260y7mdh66as2aqny6jzd5ld7"; + }; + + nativeBuildInputs = [ gfortran ]; + + buildInputs = [ mpi ]; + + 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 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 ]; + }; +} |