pyrox.dev
1{ stdenv, lib, fetchFromGitHub, cmake, zlib, libxml2, eigen, python, cairo, pcre, pkg-config, swig, rapidjson }:
2
3stdenv.mkDerivation rec {
4 pname = "openbabel";
5 version = "3.1.1";
6
7 src = fetchFromGitHub {
8 owner = "openbabel";
9 repo = "openbabel";
10 rev = "openbabel-${lib.replaceStrings ["."] ["-"] version}";
11 sha256 = "sha256-wQpgdfCyBAoh4pmj9j7wPTlMtraJ62w/EShxi/olVMY=";
12 };
13
14 buildInputs = [ zlib libxml2 eigen python cairo pcre swig rapidjson ];
15
16 nativeBuildInputs = [ cmake pkg-config ];
17
18 pythonMajorMinor = "${python.sourceVersion.major}.${python.sourceVersion.minor}";
19
20 cmakeFlags = [
21 "-DRUN_SWIG=ON"
22 "-DPYTHON_BINDINGS=ON"
23 ];
24
25 postFixup = ''
26 cat <<EOF > $out/lib/python$pythonMajorMinor/site-packages/setup.py
27 from distutils.core import setup
28
29 setup(
30 name = 'pyopenbabel',
31 version = '${version}',
32 packages = ['openbabel'],
33 package_data = {'openbabel' : ['_openbabel.so']}
34 )
35 EOF
36 '';
37
38 meta = with lib; {
39 description = "A toolbox designed to speak the many languages of chemical data";
40 homepage = "http://openbabel.org";
41 platforms = platforms.all;
42 license = licenses.gpl2Plus;
43 maintainers = with maintainers; [ danielbarter ];
44 };
45}