octopus: Initial packaging

2018-02-06 22:10:02 -05:00
parent e5a284589c
commit 6cb654e501
3 changed files with 87 additions and 0 deletions
--- a/pkgs/octopus/libxc3.nix
+++ b/pkgs/octopus/libxc3.nix
@@ -0,0 +1,24 @@
+{ stdenv, fetchurl, gfortran, perl }:
+
+stdenv.mkDerivation rec {
+  version = "3.0.1";
+  name = "libxc-${version}";
+
+  src = fetchurl {
+    url = "http://www.tddft.org/programs/octopus/down.php?file=libxc/${version}/libxc-${version}.tar.gz";
+    sha256 = "1xyac89yx03vm86rvk07ps1d39xss3amw46a1k53mv30mgr94rl3";
+  };
+
+  buildInputs = [ gfortran perl ];
+
+  postPatch = ''
+    patchShebangs src testsuite
+  '';
+
+  meta = with stdenv.lib; {
+    homepage = http://octopus-code.org/wiki/Libxc;
+    description = "Libxc is a library of exchange-correlation functionals for density-functional theory.";
+    platforms = platforms.all;
+    license = licenses.gpl3;
+  };
+}