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45 lines
1.2 KiB
45 lines
1.2 KiB
{ stdenv, lib, fetchFromGitHub, cmake, 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 = "3.1.1";
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src = fetchFromGitHub {
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owner = "openbabel";
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repo = "openbabel";
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rev = "openbabel-${lib.replaceStrings ["."] ["-"] version}";
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sha256 = "sha256-wQpgdfCyBAoh4pmj9j7wPTlMtraJ62w/EShxi/olVMY=";
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};
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buildInputs = [ zlib libxml2 eigen python cairo pcre swig rapidjson ];
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nativeBuildInputs = [ cmake pkg-config ];
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pythonMajorMinor = "${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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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 = '${version}',
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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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