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| -rw-r--r-- | var/spack/repos/builtin/packages/ape/package.py | 55 |
1 files changed, 55 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/ape/package.py b/var/spack/repos/builtin/packages/ape/package.py new file mode 100644 index 0000000000..b1647798b5 --- /dev/null +++ b/var/spack/repos/builtin/packages/ape/package.py @@ -0,0 +1,55 @@ +############################################################################## +# 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 Ape(Package): + """A tool for generating atomic pseudopotentials within a Density-Functional + Theory framework""" + + homepage = "http://www.tddft.org/programs/APE/" + url = "http://www.tddft.org/programs/APE/sites/default/files/ape-2.2.1.tar.gz" + + version('2.2.1', 'ab81da85bd749c0c136af088c7f9ad58') + + depends_on('gsl') + depends_on('libxc') + + def install(self, spec, prefix): + args = [] + args.extend([ + '--prefix=%s' % prefix, + '--with-gsl-prefix=%s' % spec['gsl'].prefix, + '--with-libxc-prefix=%s' % spec['libxc'].prefix + ]) + + if spec.satisfies('%clang') or spec.satisfies('%gcc'): + args.extend([ + 'FCFLAGS=-O2 -ffree-line-length-none' + ]) + + configure(*args) + make() + make('install') |