forked from mirrors/nixpkgs
48 lines
1.5 KiB
Nix
48 lines
1.5 KiB
Nix
{ stdenv, fetchurl, makeDesktopItem, python3Packages, glew, freeglut, libpng, libxml2, tk, freetype }:
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let
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pname = "pymol";
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ver_maj = "1.8";
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ver_min = "4";
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version = "${ver_maj}.${ver_min}.0";
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description = "A Python-enhanced molecular graphics tool";
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desktopItem = makeDesktopItem {
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name = "${pname}";
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exec = "${pname}";
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desktopName = "PyMol Molecular Graphics System";
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genericName = "Molecular Modeller";
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comment = description;
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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;";
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categories = "Graphics;Education;Science;Chemistry;";
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};
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in
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python3Packages.buildPythonApplication {
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name = "pymol-${version}";
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src = fetchurl {
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url = "mirror://sourceforge/project/pymol/pymol/${ver_maj}/pymol-v${version}.tar.bz2";
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sha256 = "0yfj8g5yic9zz6f0bw2n8h6ifvgsn8qvhq84alixsi28wzppn55n";
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};
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buildInputs = [ python3Packages.numpy glew freeglut libpng libxml2 tk freetype ];
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NIX_CFLAGS_COMPILE = "-I ${libxml2.dev}/include/libxml2";
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installPhase = ''
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python setup.py install --home=$out
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cp -r ${desktopItem}/share/ $out/
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runHook postInstall
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'';
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postInstall = ''
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wrapProgram $out/bin/pymol \
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--prefix PYTHONPATH : ${python3Packages.Pmw}/lib/python3.6/site-packages \
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--prefix PYTHONPATH : ${python3Packages.tkinter}/lib/python3.6/site-packages
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'';
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meta = with stdenv.lib; {
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description = description;
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homepage = "https://www.pymol.org/";
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license = licenses.psfl;
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};
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}
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