58 lines
1.8 KiB
Nix
58 lines
1.8 KiB
Nix
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{ lib, stdenv, fetchurl, fetchFromGitHub, makeDesktopItem
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, python3, python3Packages
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, glew, glm, freeglut, libpng, libxml2, tk, freetype, msgpack }:
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let
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pname = "pymol";
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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 Modeler";
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comment = description;
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icon = pname;
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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 rec {
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inherit pname;
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version = "2.3.0";
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src = fetchFromGitHub {
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owner = "schrodinger";
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repo = "pymol-open-source";
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rev = "v${version}";
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sha256 = "175cqi6gfmvv49i3ws19254m7ljs53fy6y82fm1ywshq2h2c93jh";
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};
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buildInputs = [ python3Packages.numpy glew glm freeglut libpng libxml2 tk freetype msgpack ];
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NIX_CFLAGS_COMPILE = "-I ${libxml2.dev}/include/libxml2";
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hardeningDisable = [ "format" ];
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setupPyBuildFlags = [ "--glut" ];
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installPhase = ''
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python setup.py install --home="$out"
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runHook postInstall
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'';
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postInstall = with python3Packages; ''
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wrapProgram $out/bin/pymol \
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--prefix PYTHONPATH : ${lib.makeSearchPathOutput "lib" python3.sitePackages [ Pmw tkinter ]}
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mkdir -p "$out/share/icons/"
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ln -s ../../lib/python/pymol/pymol_path/data/pymol/icons/icon2.svg "$out/share/icons/pymol.svg"
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cp -r "${desktopItem}/share/applications/" "$out/share/"
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'';
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meta = with lib; {
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description = description;
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homepage = "https://www.pymol.org/";
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license = licenses.mit;
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maintainers = with maintainers; [ samlich ];
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};
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}
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