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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)
import sys
from spack import *
class Dsqss(CMakePackage):
"""DSQSS is a program package for solving quantum many-body
problems defined on lattices. It is based on the quantum Monte
Carlo method in Feynman's path integral representation. """
homepage = "https://www.pasums.issp.u-tokyo.ac.jp/dsqss/en/"
url = "https://github.com/issp-center-dev/dsqss/releases/download/v2.0.3/dsqss-v2.0.3.tar.gz"
version('2.0.3', sha256='11255dd1f1317fb4ac2d6ae95535f027d627d03f5470717cd277dd9ab94496e0')
variant("mpi", default=True, description="build mpi support")
depends_on('mpi', when='+mpi')
depends_on('python', type=('build', 'run'))
depends_on('py-numpy', type=('build', 'run'))
depends_on('py-scipy', type=('build', 'run'))
depends_on('py-toml', type=('build', 'run'))
depends_on('py-setuptools', type='build')
depends_on('py-pip', type='build')
depends_on('py-wheel', type='build')
patch('spackpip.patch')
patch('ctest.patch')
extends('python')
# Built-in tests are stored as JSON files.
# The archive contains "resource fork" files such as "._dimer_1.json".
# In Linux, the test system tried to test "._dimer_1.json" and failed.
@run_before('cmake')
def rm_macos(self):
if sys.platform != 'darwin':
for mfile in find('test', '._*.json', recursive=True):
force_remove(mfile)
def cmake_args(self):
args = [
self.define_from_variant('ENABLE_MPI', 'mpi')
]
return args
def test(self):
test01 = find(self.prefix.share, '01_spindimer')[0]
copy(join_path(test01, 'std.toml'), '.')
# prepare
pythonexe = self.spec['python'].command.path
opts = [self.spec.prefix.bin.dla_pre, 'std.toml']
self.run_test(pythonexe, options=opts)
# (mpi) run
opts = []
if self.spec.satisfies('+mpi'):
exe_name = self.spec['mpi'].prefix.bin.mpirun
opts.extend(['-n', '1'])
opts.append(join_path(self.prefix.bin, 'dla'))
else:
exe_name = 'dla'
opts.append('param.in')
expected = ['R ene = -3.74300000e-01 2.96344394e-03']
self.run_test(exe_name, options=opts)
self.run_test('cat', options=['sample.log'], expected=expected)
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