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from __future__ import print_function
import os
import sys
import subprocess
from multiprocessing import Process, cpu_count, Queue
import tempfile
import unittest
from glob import glob
from distutils.version import LooseVersion
import time
import traceback
import warnings
import numpy as np
from ase.calculators.calculator import names as calc_names, get_calculator
from ase.utils import devnull
from ase.cli.info import print_info
NotAvailable = unittest.SkipTest
test_calculator_names = []
if sys.version_info[0] == 2:
class ResourceWarning(UserWarning):
pass # Placeholder - this warning does not exist in Py2 at all.
def require(calcname):
if calcname not in test_calculator_names:
raise NotAvailable('use --calculators={0} to enable'.format(calcname))
def get_tests(files=None):
dirname, _ = os.path.split(__file__)
if files:
fnames = [os.path.join(dirname, f) for f in files]
files = set()
for fname in fnames:
files.update(glob(fname))
files = list(files)
else:
files = glob(os.path.join(dirname, '*'))
files.remove(os.path.join(dirname, 'testsuite.py'))
sdirtests = [] # tests from subdirectories: only one level assumed
tests = []
for f in files:
if os.path.isdir(f):
# add test subdirectories (like calculators)
sdirtests.extend(glob(os.path.join(f, '*.py')))
else:
# add py files in testdir
if f.endswith('.py'):
tests.append(f)
tests.sort()
sdirtests.sort()
tests.extend(sdirtests) # run test subdirectories at the end
tests = [os.path.relpath(test, dirname)
for test in tests if not test.endswith('__.py')]
return tests
def runtest_almost_no_magic(test):
dirname, _ = os.path.split(__file__)
path = os.path.join(dirname, test)
# exclude some test for windows, not done automatic
if os.name == 'nt':
skip = [name for name in calc_names]
skip += ['db_web', 'h2.py', 'bandgap.py', 'al.py',
'runpy.py', 'oi.py']
if any(s in test for s in skip):
raise NotAvailable('not on windows')
try:
with open(path) as fd:
exec(compile(fd.read(), path, 'exec'), {})
except ImportError as ex:
module = ex.args[0].split()[-1].replace("'", '').split('.')[0]
if module in ['scipy', 'matplotlib', 'Scientific', 'lxml', 'Tkinter',
'flask', 'gpaw', 'GPAW', 'netCDF4', 'psycopg2']:
raise unittest.SkipTest('no {} module'.format(module))
else:
raise
def run_single_test(filename, verbose, strict):
"""Execute single test and return results as dictionary."""
result = Result(name=filename)
# Some tests may write to files with the same name as other tests.
# Hence, create new subdir for each test:
cwd = os.getcwd()
testsubdir = filename.replace(os.sep, '_').replace('.', '_')
os.mkdir(testsubdir)
os.chdir(testsubdir)
t1 = time.time()
if not verbose:
sys.stdout = devnull
try:
with warnings.catch_warnings():
if strict:
# We want all warnings to be errors. Except some that are
# normally entirely ignored by Python, and which we don't want
# to bother about.
warnings.filterwarnings('error')
for warntype in [PendingDeprecationWarning, ImportWarning,
ResourceWarning]:
warnings.filterwarnings('ignore', category=warntype)
# This happens from matplotlib sometimes.
# How can we allow matplotlib to import badly and yet keep
# a higher standard for modules within our own codebase?
warnings.filterwarnings('ignore',
'Using or importing the ABCs from',
category=DeprecationWarning)
runtest_almost_no_magic(filename)
except KeyboardInterrupt:
raise
except unittest.SkipTest as ex:
result.status = 'SKIPPED'
result.whyskipped = str(ex)
result.exception = ex
except AssertionError as ex:
result.status = 'FAIL'
result.exception = ex
result.traceback = traceback.format_exc()
except BaseException as ex:
result.status = 'ERROR'
result.exception = ex
result.traceback = traceback.format_exc()
else:
result.status = 'OK'
finally:
sys.stdout = sys.__stdout__
t2 = time.time()
os.chdir(cwd)
result.time = t2 - t1
return result
class Result:
"""Represents the result of a test; for communicating between processes."""
attributes = ['name', 'pid', 'exception', 'traceback', 'time', 'status',
'whyskipped']
def __init__(self, **kwargs):
d = {key: None for key in self.attributes}
d['pid'] = os.getpid()
for key in kwargs:
assert key in d
d[key] = kwargs[key]
self.__dict__ = d
def runtests_subprocess(task_queue, result_queue, verbose, strict):
"""Main test loop to be called within subprocess."""
try:
while True:
result = test = None
test = task_queue.get()
if test == 'no more tests':
return
# We need to run some tests on master:
# * doctest exceptions appear to be unpicklable.
# Probably they contain a reference to a module or something.
# * gui/run may deadlock for unknown reasons in subprocess
t = test.replace('\\', '/')
if t in ['bandstructure.py', 'doctests.py', 'gui/run.py',
'matplotlib_plot.py', 'fio/oi.py', 'fio/v_sim.py',
'fio/animate.py', 'db/db_web.py', 'x3d.py']:
result = Result(name=test, status='please run on master')
result_queue.put(result)
continue
result = run_single_test(test, verbose, strict)
# Any subprocess that uses multithreading is unsafe in
# subprocesses due to a fork() issue:
# https://gitlab.com/ase/ase/issues/244
# Matplotlib uses multithreading and we must therefore make sure
# that any test which imports matplotlib runs on master.
# Hence check whether matplotlib was somehow imported:
assert 'matplotlib' not in sys.modules, test
result_queue.put(result)
except KeyboardInterrupt:
print('Worker pid={} interrupted by keyboard while {}'
.format(os.getpid(),
'running ' + test if test else 'not running'))
except BaseException as err:
# Failure outside actual test -- i.e. internal test suite error.
result = Result(pid=os.getpid(), name=test, exception=err,
traceback=traceback.format_exc(),
time=0.0, status='ABORT')
result_queue.put(result)
def print_test_result(result):
msg = result.status
if msg == 'SKIPPED':
msg = 'SKIPPED: {}'.format(result.whyskipped)
print('{name:36} {time:6.2f}s {msg}'
.format(name=result.name, time=result.time, msg=msg))
if result.traceback:
print('=' * 78)
print('Error in {} on pid {}:'.format(result.name, result.pid))
print(result.traceback.rstrip())
print('=' * 78)
def runtests_parallel(nprocs, tests, verbose, strict):
# Test names will be sent, and results received, into synchronized queues:
task_queue = Queue()
result_queue = Queue()
for test in tests:
task_queue.put(test)
for i in range(nprocs): # Each process needs to receive this
task_queue.put('no more tests')
procs = []
try:
# Start tasks:
for i in range(nprocs):
p = Process(target=runtests_subprocess,
name='ASE-test-worker-{}'.format(i),
args=[task_queue, result_queue, verbose, strict])
procs.append(p)
p.start()
# Collect results:
for i in range(len(tests)):
if nprocs == 0:
# No external workers so we do everything.
task = task_queue.get()
result = run_single_test(task, verbose, strict)
else:
result = result_queue.get() # blocking call
if result.status == 'please run on master':
result = run_single_test(result.name, verbose, strict)
print_test_result(result)
yield result
if result.status == 'ABORT':
raise RuntimeError('ABORT: Internal error in test suite')
except KeyboardInterrupt:
raise
except BaseException:
for proc in procs:
proc.terminate()
raise
finally:
for proc in procs:
proc.join()
def summary(results):
ntests = len(results)
err = [r for r in results if r.status == 'ERROR']
fail = [r for r in results if r.status == 'FAIL']
skip = [r for r in results if r.status == 'SKIPPED']
ok = [r for r in results if r.status == 'OK']
if fail or err:
print()
print('Failures and errors:')
for r in err + fail:
print('{}: {}: {}'.format(r.name, r.exception.__class__.__name__,
r.exception))
print('========== Summary ==========')
print('Number of tests {:3d}'.format(ntests))
print('Passes: {:3d}'.format(len(ok)))
print('Failures: {:3d}'.format(len(fail)))
print('Errors: {:3d}'.format(len(err)))
print('Skipped: {:3d}'.format(len(skip)))
print('=============================')
if fail or err:
print('Test suite failed!')
else:
print('Test suite passed!')
def test(calculators=[], jobs=0,
stream=sys.stdout, files=None, verbose=False, strict=False):
"""Main test-runner for ASE."""
if LooseVersion(np.__version__) >= '1.14':
# Our doctests need this (spacegroup.py)
np.set_printoptions(legacy='1.13')
test_calculator_names.extend(calculators)
disable_calculators([name for name in calc_names
if name not in calculators])
tests = get_tests(files)
if len(set(tests)) != len(tests):
# Since testsubdirs are based on test name, we will get race
# conditions on IO if the same test runs more than once.
print('Error: One or more tests specified multiple times',
file=sys.stderr)
sys.exit(1)
if jobs == -1: # -1 == auto
jobs = min(cpu_count(), len(tests), 32)
print_info()
origcwd = os.getcwd()
testdir = tempfile.mkdtemp(prefix='ase-test-')
os.chdir(testdir)
# Note: :25 corresponds to ase.cli indentation
print('{:25}{}'.format('test directory', testdir))
if test_calculator_names:
print('{:25}{}'.format('Enabled calculators:',
' '.join(test_calculator_names)))
print('{:25}{}'.format('number of processes',
jobs or '1 (multiprocessing disabled)'))
print('{:25}{}'.format('time', time.strftime('%c')))
if strict:
print('Strict mode: Convert most warnings to errors')
print()
t1 = time.time()
results = []
try:
for result in runtests_parallel(jobs, tests, verbose, strict):
results.append(result)
except KeyboardInterrupt:
print('Interrupted by keyboard')
return 1
else:
summary(results)
ntrouble = len([r for r in results if r.status in ['FAIL', 'ERROR']])
return ntrouble
finally:
t2 = time.time()
print('Time elapsed: {:.1f} s'.format(t2 - t1))
os.chdir(origcwd)
def disable_calculators(names):
for name in names:
if name in ['emt', 'lj', 'eam', 'morse', 'tip3p']:
continue
try:
cls = get_calculator(name)
except ImportError:
pass
else:
def get_mock_init(name):
def mock_init(obj, *args, **kwargs):
raise NotAvailable('use --calculators={0} to enable'
.format(name))
return mock_init
def mock_del(obj):
pass
cls.__init__ = get_mock_init(name)
cls.__del__ = mock_del
def cli(command, calculator_name=None):
if (calculator_name is not None and
calculator_name not in test_calculator_names):
return
proc = subprocess.Popen(' '.join(command.split('\n')),
shell=True,
stdout=subprocess.PIPE)
print(proc.stdout.read().decode())
proc.wait()
if proc.returncode != 0:
raise RuntimeError('Failed running a shell command. '
'Please set you $PATH environment variable!')
class must_raise:
"""Context manager for checking raising of exceptions."""
def __init__(self, exception):
self.exception = exception
def __enter__(self):
pass
def __exit__(self, exc_type, exc_value, tb):
if exc_type is None:
raise RuntimeError('Failed to fail: ' + str(self.exception))
return issubclass(exc_type, self.exception)
class CLICommand:
"""Run ASE's test-suite.
By default, tests for external calculators are skipped. Enable with
"-c name".
"""
@staticmethod
def add_arguments(parser):
parser.add_argument(
'-c', '--calculators',
help='Comma-separated list of calculators to test')
parser.add_argument('--list', action='store_true',
help='print all tests and exit')
parser.add_argument('--list-calculators', action='store_true',
help='print all calculator names and exit')
parser.add_argument('-j', '--jobs', type=int, default=-1,
metavar='N',
help='number of worker processes. '
'By default use all available processors '
'up to a maximum of 32. '
'0 disables multiprocessing')
parser.add_argument('-v', '--verbose', action='store_true',
help='Write test outputs to stdout. '
'Mostly useful when inspecting a single test')
parser.add_argument('--strict', action='store_true',
help='convert warnings to errors')
parser.add_argument('tests', nargs='*',
help='Specify particular test files. '
'Glob patterns are accepted.')
@staticmethod
def run(args):
if args.calculators:
calculators = args.calculators.split(',')
else:
calculators = []
if args.list:
dirname, _ = os.path.split(__file__)
for testfile in get_tests(args.tests):
print(os.path.join(dirname, testfile))
sys.exit(0)
if args.list_calculators:
for name in calc_names:
print(name)
sys.exit(0)
for calculator in calculators:
if calculator not in calc_names:
sys.stderr.write('No calculator named "{}".\n'
'Possible CALCULATORS are: '
'{}.\n'.format(calculator,
', '.join(calc_names)))
sys.exit(1)
ntrouble = test(calculators=calculators, jobs=args.jobs,
strict=args.strict,
files=args.tests, verbose=args.verbose)
sys.exit(ntrouble)
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