1 files changed, 51 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix b/nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix
new file mode 100644
index 000000000000..7b482d82e2fa
--- /dev/null
+++ b/nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix
@@ -0,0 +1,51 @@
+{ stdenv, fetchurl, makeDesktopItem
+, python3, python3Packages
+, glew, freeglut, libpng, libxml2, tk, freetype, msgpack }:
+
+
+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 msgpack ];
+  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;
+  };
+}