2c5c7a37cb
* atom-dft: new package plus dependencies * Indentation fix * Use the compiler wrappers * Pass variables instead of using FileFilter
54 lines
2.0 KiB
Python
54 lines
2.0 KiB
Python
##############################################################################
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# Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC.
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# Produced at the Lawrence Livermore National Laboratory.
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#
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# This file is part of Spack.
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# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
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# LLNL-CODE-647188
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#
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# For details, see https://github.com/spack/spack
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# Please also see the NOTICE and LICENSE files for our notice and the LGPL.
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#
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# This program is free software; you can redistribute it and/or modify
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# it under the terms of the GNU Lesser General Public License (as
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# published by the Free Software Foundation) version 2.1, February 1999.
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#
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# This program is distributed in the hope that it will be useful, but
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# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
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# conditions of the GNU Lesser General Public License for more details.
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#
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# You should have received a copy of the GNU Lesser General Public
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# License along with this program; if not, write to the Free Software
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# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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##############################################################################
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from spack import *
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import shutil
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class AtomDft(MakefilePackage):
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"""ATOM is a program for DFT calculations in atoms and pseudopotential
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generation."""
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homepage = "https://departments.icmab.es/leem/siesta/Pseudopotentials/"
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url = "https://departments.icmab.es/leem/siesta/Pseudopotentials/Code/atom-4.2.6.tgz"
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version('4.2.6', 'c0c80cf349f951601942ed6c7cb0256b')
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depends_on('libgridxc')
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depends_on('xmlf90')
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def edit(self, spec, prefix):
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shutil.copyfile('arch.make.sample', 'arch.make')
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@property
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def build_targets(self):
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return ['XMLF90_ROOT=%s' % self.spec['xmlf90'].prefix,
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'GRIDXC_ROOT=%s' % self.spec['libgridxc'].prefix,
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'FC=fc']
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def install(self, spec, prefix):
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mkdir(prefix.bin)
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install('atm', prefix.bin)
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