Merge pull request #33924 from markuskowa/molden-pr

molden: init at 5.7

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

@@ -0,0 +1,42 @@
+{ stdenv, fetchurl, which, gfortran, mesa_glu, xorg } :
+
+stdenv.mkDerivation rec {
+  version = "5.7";
+  name = "molden-${version}";
+
+  src = fetchurl {
+    url = "ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden${version}.tar.gz";
+    sha256 = "0gaq11gm09ax25lvgfrvxv9dxvi76hps116fp6k7sqgvdd68vf0s";
+  };
+
+  nativeBuildInputs = [ which ];
+  buildInputs = [ gfortran mesa_glu xorg.libX11 xorg.libXmu ];
+
+  postPatch = ''
+     substituteInPlace ./makefile --replace '-L/usr/X11R6/lib'  "" \
+                                  --replace '-I/usr/X11R6/include' "" \
+                                  --replace '/usr/local/' $out/ \
+                                  --replace 'sudo' "" \
+				                          --replace '-C surf depend' '-C surf'
+     sed -in '/^# DO NOT DELETE THIS LINE/q;' surf/Makefile
+  '';
+
+  preInstall = ''
+     mkdir -p $out/bin
+  '';
+
+  enableParallelBuilding = true;
+
+  meta = with stdenv.lib; {
+     description = "Display and manipulate molecular structures";
+     homepage = http://www.cmbi.ru.nl/molden/;
+     license = {
+       fullName = "Free for academic/non-profit use";
+       url = http://www.cmbi.ru.nl/molden/CopyRight.html;
+       free = false;
+     };
+     platforms = platforms.linux;
+     maintainers = with maintainers; [ markuskowa ];
+  };
+}
+

pkgs/top-level/all-packages.nix

@@ -3525,6 +3525,8 @@ with pkgs;
 
   modsecurity_standalone = callPackage ../tools/security/modsecurity { };
 
+  molden = callPackage ../applications/science/chemistry/molden { };
+
   molly-guard = callPackage ../os-specific/linux/molly-guard { };
 
   moneyplex = callPackage ../applications/office/moneyplex { };