nixpkgs/pkgs/development/libraries/openbabel/default.nix
2023-02-04 10:19:58 +01:00

50 lines
1.3 KiB
Nix

{ stdenv, lib, fetchFromGitHub, cmake, zlib, libxml2, eigen, python, cairo, pcre, pkg-config, swig, rapidjson }:
stdenv.mkDerivation rec {
pname = "openbabel";
version = "3.1.1";
src = fetchFromGitHub {
owner = "openbabel";
repo = "openbabel";
rev = "openbabel-${lib.replaceStrings ["."] ["-"] version}";
sha256 = "sha256-wQpgdfCyBAoh4pmj9j7wPTlMtraJ62w/EShxi/olVMY=";
};
postPatch = ''
sed '1i#include <ctime>' -i include/openbabel/obutil.h # gcc12
'';
buildInputs = [ zlib libxml2 eigen python cairo pcre swig rapidjson ];
nativeBuildInputs = [ cmake pkg-config ];
pythonMajorMinor = "${python.sourceVersion.major}.${python.sourceVersion.minor}";
cmakeFlags = [
"-DRUN_SWIG=ON"
"-DPYTHON_BINDINGS=ON"
];
postFixup = ''
cat <<EOF > $out/lib/python$pythonMajorMinor/site-packages/setup.py
from distutils.core import setup
setup(
name = 'pyopenbabel',
version = '${version}',
packages = ['openbabel'],
package_data = {'openbabel' : ['_openbabel.so']}
)
EOF
'';
meta = with lib; {
description = "A toolbox designed to speak the many languages of chemical data";
homepage = "http://openbabel.org";
platforms = platforms.all;
license = licenses.gpl2Plus;
maintainers = with maintainers; [ danielbarter ];
};
}