Unverified Commit 1bb46ec3 authored by natsukium's avatar natsukium
Browse files

pymol: modernize

parent 1541a030

pkgs/applications/science/chemistry/pymol/default.nix

+13 −6
Original line number Diff line number Diff line
@@ -39,6 +39,8 @@ in 
python3Packages.buildPythonApplication rec {

  inherit pname;

  version = "3.0.0";

  pyproject = true;



  src = fetchFromGitHub {

    owner = "schrodinger";

    repo = "pymol-open-source";
@@ -46,22 +48,27 @@ python3Packages.buildPythonApplication rec { 
    hash = "sha256-GhTHxacjGN7XklZ6gileBMRZAGq4Pp4JknNL+qGqrVE=";

  };



  postPatch = ''

    substituteInPlace setup.py \

      --replace-fail "self.install_libbase" '"${placeholder "out"}/${python3.sitePackages}"'

  '';



  build-system = [

    python3Packages.setuptools

  ];



  nativeBuildInputs = [ qt5.wrapQtAppsHook ];

  buildInputs = [ python3Packages.numpy python3Packages.pyqt5 glew glm libpng libxml2 freetype msgpack netcdf ];

  env.NIX_CFLAGS_COMPILE = "-I ${libxml2.dev}/include/libxml2";

  hardeningDisable = [ "format" ];



  installPhase = ''

    python setup.py install --home="$out"

    runHook postInstall

  '';



  postInstall = with python3Packages; ''

    wrapProgram $out/bin/pymol \

      --prefix PYTHONPATH : ${lib.makeSearchPathOutput "lib" python3.sitePackages [ pyqt5 pyqt5.pyqt5-sip ]}



    mkdir -p "$out/share/icons/"

    ln -s ../../lib/python/pymol/pymol_path/data/pymol/icons/icon2.svg "$out/share/icons/pymol.svg"

    ln -s $out/${python3.sitePackages}/pymol/pymol_path/data/pymol/icons/icon2.svg "$out/share/icons/pymol.svg"

  '' + lib.optionalString stdenv.hostPlatform.isLinux ''

    cp -r "${desktopItem}/share/applications/" "$out/share/"

  '';