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# Copyright 2013-2024 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.package 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"
license("GPL-3.0-or-later")
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_dla(self):
"""prepare, run, and confirm dla results"""
test01 = find(self.prefix.share, "01_spindimer")[0]
copy(join_path(test01, "std.toml"), ".")
# prepare
python = self.spec["python"].command
opts = [self.spec.prefix.bin.dla_pre, "std.toml"]
with test_part(self, "test_dla_pre", purpose="prepare dla"):
python(*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")
with test_part(self, "test_dla_run", purpose="run dla"):
exe = which(exe_name)
exe(*opts)
with test_part(self, "test_dla_results", purpose="confirming dla results"):
cat = which("cat")
out = cat("sample.log", output=str.split, error=str.split)
assert "R ene = -3.74300000e-01 2.96344394e-03" in out
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