diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/votca-csg/package.py | 5 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/votca-ctp/package.py | 54 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/votca-moo/package.py | 52 |
3 files changed, 109 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/votca-csg/package.py b/var/spack/repos/builtin/packages/votca-csg/package.py index d965fa83e5..4c3d992cfb 100644 --- a/var/spack/repos/builtin/packages/votca-csg/package.py +++ b/var/spack/repos/builtin/packages/votca-csg/package.py @@ -42,8 +42,9 @@ class VotcaCsg(CMakePackage): variant('debug', default=False, description='Build debug version') depends_on("cmake@2.8:", type='build') - depends_on("votca-tools") - depends_on("gromacs@5.1:") + depends_on("votca-tools@1.4:1.4.999", when='@1.4:1.4.999') + depends_on("votca-tools@develop", when='@develop') + depends_on("gromacs~mpi@5.1:") def build_type(self): spec = self.spec diff --git a/var/spack/repos/builtin/packages/votca-ctp/package.py b/var/spack/repos/builtin/packages/votca-ctp/package.py new file mode 100644 index 0000000000..41735b6071 --- /dev/null +++ b/var/spack/repos/builtin/packages/votca-ctp/package.py @@ -0,0 +1,54 @@ +############################################################################## +# 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 VotcaCtp(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 charge transport engine. + """ + homepage = "http://www.votca.org" + # No release yet + # url = "https://github.com/votca/ctp/tarball/v1.4" + + version('develop', git='https://github.com/votca/ctp', branch='master') + + variant('debug', default=False, description='Build debug version') + + depends_on("cmake@2.8:", type='build') + depends_on("votca-tools@develop", when='@develop') + depends_on("votca-csg@develop", when='@develop') + depends_on("votca-moo@develop", when='@develop') + + def build_type(self): + spec = self.spec + if '+debug' in spec: + return 'Debug' + else: + return 'Release' diff --git a/var/spack/repos/builtin/packages/votca-moo/package.py b/var/spack/repos/builtin/packages/votca-moo/package.py new file mode 100644 index 0000000000..788fc1ad94 --- /dev/null +++ b/var/spack/repos/builtin/packages/votca-moo/package.py @@ -0,0 +1,52 @@ +############################################################################# +# 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 VotcaMoo(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 molecular orbital module. + """ + homepage = "http://www.votca.org" + # No release yet + # url = "https://github.com/votca/moo/tarball/v1.4" + + version('develop', git='https://github.com/votca/moo', branch='master') + + variant('debug', default=False, description='Build debug version') + + depends_on("cmake@2.8:", type='build') + depends_on("votca-tools@develop", when='@develop') + + def build_type(self): + spec = self.spec + if '+debug' in spec: + return 'Debug' + else: + return 'Release' |