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