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{ stdenv, fetchurl, makeDesktopItem
, python3, python3Packages
, glew, freeglut, libpng, libxml2, tk, freetype, libmsgpack }:
with stdenv.lib;
let
pname = "pymol";
ver_maj = "2";
ver_min = "1";
version = "${ver_maj}.${ver_min}.0";
description = "A Python-enhanced molecular graphics tool";
desktopItem = makeDesktopItem {
name = "${pname}";
exec = "${pname}";
desktopName = "PyMol Molecular Graphics System";
genericName = "Molecular Modeler";
comment = description;
mimeType = "chemical/x-pdb;chemical/x-mdl-molfile;chemical/x-mol2;chemical/seq-aa-fasta;chemical/seq-na-fasta;chemical/x-xyz;chemical/x-mdl-sdf;";
categories = "Graphics;Education;Science;Chemistry;";
};
in
python3Packages.buildPythonApplication {
name = "pymol-${version}";
src = fetchurl {
url = "mirror://sourceforge/project/pymol/pymol/${ver_maj}/pymol-v${version}.tar.bz2";
sha256 = "1qpacd5w4r9a0nm5iqmkd92ym3ai00dp7v61cwd6jgakk6wfps3s";
};
buildInputs = [ python3Packages.numpy glew freeglut libpng libxml2 tk freetype libmsgpack ];
NIX_CFLAGS_COMPILE = "-I ${libxml2.dev}/include/libxml2";
installPhase = ''
python setup.py install --home=$out
cp -r ${desktopItem}/share/ $out/
runHook postInstall
'';
postInstall = with python3Packages; ''
wrapProgram $out/bin/pymol \
--prefix PYTHONPATH : ${makeSearchPathOutput "lib" python3.sitePackages [ Pmw tkinter ]}
'';
meta = {
description = description;
homepage = https://www.pymol.org/;
license = licenses.psfl;
};
}
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