Add Votca packages (#3748)

* A new package: votca-tools

* A new package: votca-csg

var/spack/repos/builtin/packages/votca-csg/package.py

@@ -0,0 +1,53 @@
+##############################################################################
+# Copyright (c) 2017, The VOTCA Development Team (http://www.votca.org)
+#
+# 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 VotcaCsg(CMakePackage):
+    """Versatile Object-oriented Toolkit for Coarse-graining
+       Applications (VOTCA) is a package intended to reduce the amount of
+       routine work when doing systematic coarse-graining of various
+       systems. The core is written in C++.
+
+       This package contains the VOTCA coarse-graining engine.
+    """
+    homepage = "http://www.votca.org"
+    url      = "https://github.com/votca/csg/tarball/v1.4"
+
+    version('develop', git='https://github.com/csg/tools', branch='master')
+    version('1.4', 'd009e761e5e3afd51eed89c420610a67')
+
+    variant('debug', default=False, description='Build debug version')
+
+    depends_on("cmake@2.8:", type='build')
+    depends_on("votca-tools")
+    depends_on("gromacs@5.1:")
+
+    def build_type(self):
+        spec = self.spec
+        if '+debug' in spec:
+            return 'Debug'
+        else:
+            return 'Release'

var/spack/repos/builtin/packages/votca-tools/package.py

@@ -0,0 +1,56 @@
+##############################################################################
+# Copyright (c) 2017, The VOTCA Development Team (http://www.votca.org)
+#
+# 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 VotcaTools(CMakePackage):
+    """Versatile Object-oriented Toolkit for Coarse-graining
+       Applications (VOTCA) is a package intended to reduce the amount of
+       routine work when doing systematic coarse-graining of various
+       systems. The core is written in C++.
+
+       This package contains the basic tools library of VOTCA.
+    """
+    homepage = "http://www.votca.org"
+    url      = "https://github.com/votca/tools/tarball/v1.4"
+
+    version('develop', git='https://github.com/votca/tools', branch='master')
+    version('1.4', 'cd47868e9f28e2c7b9d01f95aa0185ca')
+
+    variant('debug', default=False, description='Build debug version')
+
+    depends_on("cmake@2.8:", type='build')
+    depends_on("expat")
+    depends_on("fftw")
+    depends_on("gsl")
+    depends_on("boost")
+    depends_on("sqlite")
+
+    def build_type(self):
+        spec = self.spec
+        if '+debug' in spec:
+            return 'Debug'
+        else:
+            return 'Release'