py-cclib: new package

1 files changed, 42 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/py-cclib/package.py b/var/spack/repos/builtin/packages/py-cclib/package.py
new file mode 100644
index 0000000000..33b1d25c7e
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+++ b/var/spack/repos/builtin/packages/py-cclib/package.py
@@ -0,0 +1,42 @@
+##############################################################################
+# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC.
+# Produced at the Lawrence Livermore National Laboratory.
+#
+# This file is part of Spack.
+# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
+# LLNL-CODE-647188
+#
+# For details, see https://github.com/llnl/spack
+# Please also see the LICENSE file for our notice and the LGPL.
+#
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License (as
+# published by the Free Software Foundation) version 2.1, February 1999.
+#
+# This program is distributed in the hope that it will be useful, but
+# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
+# conditions of the GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public
+# License along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
+##############################################################################
+from spack import *
+
+
+class PyCclib(Package):
+    """Open source library for parsing and interpreting the results of
+    computational chemistry packages"""
+
+    homepage = "https://cclib.github.io/"
+    url      = "https://github.com/cclib/cclib/releases/download/v1.5/cclib-1.5.tar.gz"
+
+    version('1.5', 'c06940101c4796bce82036b13fecb73c')
+
+    extends('python')
+
+    depends_on('py-numpy@1.5:', type=nolink)
+
+    def install(self, spec, prefix):
+        setup_py('install', '--prefix={0}'.format(prefix))