51 lines
1.5 KiB
Nix
51 lines
1.5 KiB
Nix
{ stdenv, lib, fetchFromGitHub, cmake, perl, zlib, libxml2, eigen, python, cairo, pcre, pkg-config, swig, rapidjson }:
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stdenv.mkDerivation rec {
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pname = "openbabel";
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version = "unstable-06-12-23";
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src = fetchFromGitHub {
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owner = "openbabel";
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repo = pname;
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rev = "32cf131444c1555c749b356dab44fb9fe275271f";
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hash = "sha256-V0wrZVrojCZ9Knc5H6cPzPoYWVosRZ6Sn4PX+UFEfHY=";
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};
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postPatch = ''
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sed '1i#include <ctime>' -i include/openbabel/obutil.h # gcc12
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'';
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buildInputs = [ perl zlib libxml2 eigen python cairo pcre swig rapidjson ];
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nativeBuildInputs = [ cmake pkg-config ];
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pythonMajorMinor = "${python.sourceVersion.major}.${python.sourceVersion.minor}";
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cmakeFlags = [
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"-DRUN_SWIG=ON"
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"-DPYTHON_BINDINGS=ON"
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];
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# Setuptools only accepts PEP 440 version strings. The "unstable" identifier
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# can not be used. Instead we pretend to be the 3.2 beta release.
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postFixup = ''
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cat <<EOF > $out/lib/python$pythonMajorMinor/site-packages/setup.py
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from distutils.core import setup
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setup(
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name = 'pyopenbabel',
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version = '3.2b1',
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packages = ['openbabel'],
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package_data = {'openbabel' : ['_openbabel.so']}
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)
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EOF
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'';
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meta = with lib; {
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description = "A toolbox designed to speak the many languages of chemical data";
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homepage = "http://openbabel.org";
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platforms = platforms.all;
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license = licenses.gpl2Plus;
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maintainers = with maintainers; [ danielbarter ];
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};
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}
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