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{ stdenv, lib, fetchFromGitHub, cmake, perl, zlib, libxml2, eigen, python, cairo, pcre, pkg-config, swig, rapidjson }:
stdenv.mkDerivation rec {
pname = "openbabel";
version = "unstable-06-12-23";
src = fetchFromGitHub {
owner = "openbabel";
repo = pname;
rev = "32cf131444c1555c749b356dab44fb9fe275271f";
hash = "sha256-V0wrZVrojCZ9Knc5H6cPzPoYWVosRZ6Sn4PX+UFEfHY=";
};
postPatch = ''
sed '1i#include <ctime>' -i include/openbabel/obutil.h # gcc12
'';
buildInputs = [ perl 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"
];
# Setuptools only accepts PEP 440 version strings. The "unstable" identifier
# can not be used. Instead we pretend to be the 3.2 beta release.
postFixup = ''
cat <<EOF > $out/lib/python$pythonMajorMinor/site-packages/setup.py
from distutils.core import setup
setup(
name = 'pyopenbabel',
version = '3.2b1',
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 ];
};
}
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