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# Copyright 2013-2021 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
class Alps(CMakePackage):
"""Algorithms for Physics Simulations
Tags: Condensed Matter Physics, Computational Physics
"""
homepage = "https://alps.comp-phys.org"
url = "https://alps.comp-phys.org/static/software/releases/alps-2.3.0-src.tar.gz"
version('2.3.0', sha256='e64208d1e5acdd6f569277413c4867e1fa366cf4a224570eacbf1e9939fca2d2')
# Refs for building from source and recipes
# https://alps.comp-phys.org/mediawiki/index.php/Building_ALPS_from_source
# https://github.com/easybuilders/easybuild-easyconfigs/tree/master/easybuild/easyconfigs/a/ALPS
# https://github.com/conda-forge/alps-feedstock/tree/master/recipe
# Package failed to build with boost version >= 1.64
depends_on('boost@:1.63.0 +chrono +date_time +filesystem +iostreams +mpi +numpy +program_options +python +regex +serialization +system +test +thread +timer')
depends_on('fftw')
depends_on('hdf5 ~mpi+hl')
depends_on('lapack')
# build fails for latest python@3.7
depends_on('python@:3.6.99', type=('build', 'link', 'run'))
depends_on('py-numpy', type=('build', 'run'))
depends_on('py-scipy', type=('build', 'run'))
depends_on('py-matplotlib', type=('build', 'run'))
# use depends_on to help with dependency resolution
depends_on('py-numpy@:1.19', when='^python@:3.6.99')
depends_on('py-scipy@:1.5', when='^python@:3.6.99')
# fix for gcc@7:
patch('alps_newgcc.patch', when='%gcc@7:')
# remove a problematic build variable
patch('mpi.patch')
# include climits to use INT_MAX
patch('alps_climit.patch')
# ctest tries to test '/usr/bin/time'
patch('alps_cmake_time.patch')
extends('python')
root_cmakelists_dir = 'alps'
def cmake_args(self):
args = []
args.append('Boost_ROOT_DIR=' + self.spec['boost'].prefix)
args.append("-DCMAKE_CXX_FLAGS={0}".format(self.compiler.cxx98_flag))
return args
def _single_test(self, target, exename, dataname, opts=[]):
troot = self.prefix.tutorials
copy_tree(join_path(troot, target), target)
if target == 'dmrg-01-dmrg':
test_dir = self.test_suite.current_test_data_dir
copy(join_path(test_dir, dataname), target)
self.run_test('parameter2xml',
options=[dataname, 'SEED=123456'],
work_dir=target
)
options = []
options.extend(opts)
options.extend(['--write-xml', '{0}.in.xml'.format(dataname)])
self.run_test(exename,
options=options,
expected=['Finished with everything.'],
work_dir=target
)
def test(self):
self._single_test('mc-02-susceptibilities', 'spinmc', 'parm2a',
['--Tmin', '10'])
self._single_test('ed-01-sparsediag', 'sparsediag', 'parm1a')
self._single_test('dmrg-01-dmrg', 'dmrg', 'spin_one_half')
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