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n2p2: convert from old to new test API (#45141)

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* n2p2: convert from old to new test API
* n2p2: Enhance stand-alone testing checks to reduce unnecessary processing

---------

Co-authored-by: Tamara Dahlgren <dahlgren1@llnl.gov>
This commit is contained in:
AcriusWinter 2024-08-15 14:47:55 -07:00 committed by GitHub
parent a965c7c5c8
commit c624088a7b
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GPG Key ID: B5690EEEBB952194
1 changed files with 43 additions and 27 deletions
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70
var/spack/repos/builtin/packages/n2p2/package.py
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@ -2,6 +2,7 @@
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
import os
from spack.package import *
from spack.pkg.builtin.boost import Boost
@ -59,16 +60,15 @@ class N2p2(MakefilePackage):
def edit(self, spec, prefix):
makefile = FileFilter(join_path("src", "makefile"))
makefile.filter("MODE=.*", "MODE={0}".format("shared" if "+shared" in spec else "static"))
makefile.filter("MODE=.*", f"MODE={'shared' if '+shared' in spec else 'static'}")
makefile = FileFilter(join_path("src", "makefile.gnu"))
blas_libs = self.spec["blas"].libs
makefile.filter("PROJECT_CC=.*", "PROJECT_CC={0}".format(spack_cxx))
makefile.filter("PROJECT_MPICC=.*", "PROJECT_MPICC={0}".format(self.spec["mpi"].mpicxx))
makefile.filter("PROJECT_CFLAGS=.*", "PROJECT_CFLAGS={0}".format(self.compiler.cxx11_flag))
makefile.filter("PROJECT_CC=.*", f"PROJECT_CC={spack_cxx}")
makefile.filter("PROJECT_MPICC=.*", f"PROJECT_MPICC={self.spec['mpi'].mpicxx}")
makefile.filter("PROJECT_CFLAGS=.*", f"PROJECT_CFLAGS={self.compiler.cxx11_flag}")
makefile.filter(
"PROJECT_LDFLAGS_BLAS.*",
"PROJECT_LDFLAGS_BLAS={0} -lgsl -lgslcblas".format(blas_libs.ld_flags),
"PROJECT_LDFLAGS_BLAS.*", f"PROJECT_LDFLAGS_BLAS={blas_libs.ld_flags} -lgsl -lgslcblas"
)
def build(self, spec, prefix):
@ -94,46 +94,62 @@ def install(self, spec, prefix):
def setup_build_tests(self):
"""Copy the build test files after the package is installed to an
install test subdirectory for use during `spack test run`."""
self.cache_extra_test_sources(".")
cache_extra_test_sources(self, ["."])
def test(self):
with working_dir(join_path(self.install_test_root, "test"), create=False):
def test_result_check(self):
"""Build and run result-check.sh"""
# The results cannot be verified with the script without an expected
# results file added to the test subdirectory of the package repository.
expected_file = join_path(
self.test_suite.current_test_data_dir, f"expected-result-{self.version}.txt"
)
if not os.path.exists(expected_file):
raise SkipTest(
f"The expected results file is missing from the repository for {self.version}"
)
result_check_script = join_path(self.test_suite.current_test_data_dir, "result-check.sh")
if not os.path.exists(result_check_script):
raise SkipTest("Required result-check.sh is missing from the repository directory")
make = which("make")
with working_dir(self.test_suite.current_test_cache_dir.test):
make("clean")
with working_dir(join_path(self.install_test_root, "src"), create=False):
with working_dir(self.test_suite.current_test_cache_dir.src):
make("clean")
make(
"MODE=test",
"PROJECT_GSL={0}".format(self.spec["gsl"].prefix.include),
"PROJECT_EIGEN={0}".format(self.spec["eigen"].prefix.include.eigen3),
f"PROJECT_GSL={self.spec['gsl'].prefix.include}",
f"PROJECT_EIGEN={self.spec['eigen'].prefix.include.eigen3}",
)
make(
"MODE=test",
"lammps-nnp",
"PROJECT_GSL={0}".format(self.spec["gsl"].prefix.include),
"PROJECT_EIGEN={0}".format(self.spec["eigen"].prefix.include.eigen3),
f"PROJECT_GSL={self.spec['gsl'].prefix.include}",
f"PROJECT_EIGEN={self.spec['eigen'].prefix.include.eigen3}",
)
make("pynnp", "MODE=test")
with working_dir(join_path(self.install_test_root, "test"), create=False):
with working_dir(self.test_suite.current_test_cache_dir.test):
if self.spec.satisfies("%fj"):
f = FileFilter(join_path("cpp", "nnp_test.h"))
f.filter(
"(example.co",
'("{0} -n 1 " + example.co'.format(self.spec["mpi"].prefix.bin.mpirun),
string=True,
)
mpirun = self.spec["mpi"].prefix.bin.mpirun
f.filter("(example.co", f'("{mpirun} -n 1 " + example.co', string=True)
cpp_output = "output_cpp.txt"
f = FileFilter(join_path("cpp", "makefile"))
f.filter("log_level=.*", "log_level=$(LOG_LEVEL) 2>&1 | tee -a ../output_cpp.txt")
f.filter("log_level=.*", f"log_level=$(LOG_LEVEL) 2>&1 | tee -a ../{cpp_output}")
python_output = "output_python.txt"
f = FileFilter(join_path("python", "makefile"))
f.filter("term\\s-v.*", "term -v | tee -a ../output_python.txt")
f.filter("term\\s-v.*", f"term -v | tee -a ../{python_output}")
make("cpp", parallel=False)
make("python", parallel=False)
assert os.path.isfile(cpp_output), f"{cpp_output} was not produced"
test_dir = self.test_suite.current_test_data_dir
expected_file = join_path(test_dir, "expected-result-{0}.txt".format(self.version))
check_n2p2 = Executable(join_path(test_dir, "result-check.sh"))
check_n2p2("./output_cpp.txt", "./output_python.txt", expected_file)
make("python", parallel=False)
assert os.path.isfile(python_output), f"{python_output} was not produced"
result_check = which(result_check_script)
result_check(cpp_output, python_output, expected_file)