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pymol: added Pmw + python version bump

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This commit is contained in:
Katona László 2017-06-02 16:34:16 +02:00
parent d5fe7d1534
commit 2a1c535b7e
1 changed files with 28 additions and 6 deletions

34
pkgs/applications/science/chemistry/pymol/default.nix
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@ -1,24 +1,46 @@
{ stdenv, fetchurl, python27Packages, glew, freeglut, libpng, libxml2, tk, freetype }: { stdenv, fetchurl, makeDesktopItem, python3Packages, glew, freeglut, libpng, libxml2, tk, freetype }:
let let
version = "1.8.4.0"; pname = "pymol";
ver_maj = "1.8";
ver_min = "4";
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 Modeller";
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 in
python27Packages.buildPythonApplication { python3Packages.buildPythonApplication {
name = "pymol-${version}"; name = "pymol-${version}";
src = fetchurl { src = fetchurl {
url = "mirror://sourceforge/project/pymol/pymol/1.8/pymol-v1.8.4.0.tar.bz2"; url = "mirror://sourceforge/project/pymol/pymol/${ver_maj}/pymol-v${version}.tar.bz2";
sha256 = "0yfj8g5yic9zz6f0bw2n8h6ifvgsn8qvhq84alixsi28wzppn55n"; sha256 = "0yfj8g5yic9zz6f0bw2n8h6ifvgsn8qvhq84alixsi28wzppn55n";
}; };
buildInputs = [ python27Packages.numpy glew freeglut libpng libxml2 tk freetype ]; buildInputs = [ python3Packages.numpy glew freeglut libpng libxml2 tk freetype ];
NIX_CFLAGS_COMPILE = "-I ${libxml2.dev}/include/libxml2"; NIX_CFLAGS_COMPILE = "-I ${libxml2.dev}/include/libxml2";
installPhase = '' installPhase = ''
python setup.py install --home=$out python setup.py install --home=$out
cp -r ${desktopItem}/share/ $out/
runHook postInstall
'';
postInstall = ''
wrapProgram $out/bin/pymol \
--prefix PYTHONPATH : ${python3Packages.Pmw}/lib/python3.6/site-packages \
--prefix PYTHONPATH : ${python3Packages.tkinter}/lib/python3.6/site-packages
''; '';
meta = with stdenv.lib; { meta = with stdenv.lib; {
description = "A Python-enhanced molecular graphics tool"; description = description;
homepage = "https://www.pymol.org/"; homepage = "https://www.pymol.org/";
license = licenses.psfl; license = licenses.psfl;
}; };