votca*: update dependencies (#8757)

var/spack/repos/builtin/packages/ceres-solver/package.py

@@ -0,0 +1,53 @@
+##############################################################################
+# Copyright (c) 2018, 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/spack/spack
+# Please also see the NOTICE and LICENSE files 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 CeresSolver(CMakePackage):
+    """Ceres Solver is an open source C++ library for modeling and solving
+    large, complicated optimization problems. It can be used to solve
+    Non-linear Least Squares problems with bounds constraints and general
+    unconstrained optimization problems. It is a mature, feature rich, and
+    performant library that has been used in production at Google since 2010.
+    """
+
+    homepage = "http://ceres-solver.org"
+    url      = "http://ceres-solver.org/ceres-solver-1.12.0.tar.gz"
+
+    version('1.12.0', '278a7b366881cc45e258da71464114d9')
+
+    depends_on('eigen@3:')
+    depends_on('lapack')
+    depends_on('glog')
+
+    def cmake_args(self):
+        args = [
+            '-DSUITESPARSE=OFF',
+            '-DCXSPARSE=OFF',
+            '-DEIGENSPARSE=ON',
+            '-DLAPACK=ON',
+            '-DBUILD_SHARED_LIBS=ON',
+            '-DSCHUR_SPECIALIZATIONS=OFF'
+        ]
+        return args

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

@@ -1,5 +1,5 @@
 ##############################################################################
-# Copyright (c) 2017, The VOTCA Development Team (http://www.votca.org)
+# Copyright (c) 2017-2018, The VOTCA Development Team (http://www.votca.org)
 #
 # This file is part of Spack.
 # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
@@ -42,3 +42,4 @@ class VotcaCtp(CMakePackage):
     depends_on("cmake@2.8:", type='build')
     depends_on("votca-tools@develop", when='@develop')
     depends_on("votca-csg@develop", when='@develop')
+    depends_on("gsl")

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

@@ -1,5 +1,5 @@
 ##############################################################################
-# Copyright (c) 2017, The VOTCA Development Team (http://www.votca.org)
+# Copyright (c) 2017-2018, The VOTCA Development Team (http://www.votca.org)
 #
 # This file is part of Spack.
 # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
@@ -43,6 +43,7 @@ class VotcaTools(CMakePackage):
     depends_on("cmake@2.8:", type='build')
     depends_on("expat")
     depends_on("fftw")
-    depends_on("gsl")
+    depends_on("gsl", when="@:1.4.9999")
+    depends_on("eigen@3.3:", when="@1.5:")
     depends_on("boost")
     depends_on("sqlite")

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

@@ -1,5 +1,5 @@
 ##############################################################################
-# Copyright (c) 2017, The VOTCA Development Team (http://www.votca.org)
+# Copyright (c) 2017-2018, The VOTCA Development Team (http://www.votca.org)
 #
 # This file is part of Spack.
 # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
@@ -45,3 +45,5 @@ class VotcaXtp(CMakePackage):
     depends_on("votca-csg@develop", when='@develop')
     depends_on("votca-csg@1.4:1.4.999", when='@1.4:1.4.999')
     depends_on("votca-ctp@develop", when='@develop')
+    depends_on("libxc", when='@1.5:')
+    depends_on("ceres-solver", when='@1.5:')