commit
7f57405eac
1 changed files with 55 additions and 0 deletions
55
var/spack/repos/builtin/packages/ape/package.py
Normal file
55
var/spack/repos/builtin/packages/ape/package.py
Normal file
|
@ -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')
|
Loading…
Reference in a new issue