From e3bfb79824b0640ef179e3cbec334fb0decf941f Mon Sep 17 00:00:00 2001 From: Christoph Junghans Date: Thu, 6 Apr 2017 21:04:51 -0600 Subject: [PATCH] Add Votca packages (#3748) * A new package: votca-tools * A new package: votca-csg --- .../builtin/packages/votca-csg/package.py | 53 ++++++++++++++++++ .../builtin/packages/votca-tools/package.py | 56 +++++++++++++++++++ 2 files changed, 109 insertions(+) create mode 100644 var/spack/repos/builtin/packages/votca-csg/package.py create mode 100644 var/spack/repos/builtin/packages/votca-tools/package.py diff --git a/var/spack/repos/builtin/packages/votca-csg/package.py b/var/spack/repos/builtin/packages/votca-csg/package.py new file mode 100644 index 0000000000..516ce8b145 --- /dev/null +++ b/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' diff --git a/var/spack/repos/builtin/packages/votca-tools/package.py b/var/spack/repos/builtin/packages/votca-tools/package.py new file mode 100644 index 0000000000..736ab0fa4e --- /dev/null +++ b/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'