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runtests.py 1.47 KB
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# Copyright 2016-2018 The NOMAD Developers Group
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
#     http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
#
# Main author and maintainer: Ask Hjorth Larsen <asklarsen@gmail.com>
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from __future__ import print_function
from glob import glob
import re
from optparse import OptionParser
from subprocess import Popen, PIPE
import os
from ase.parallel import world
import platform

p = OptionParser()
opts, args = p.parse_args()

if len(args) == 0:
    testfiles = glob('test/test???.input.out')
    testfiles.sort()
else:
    testfiles = argv

for i, testfile in enumerate(testfiles):
    if i % world.size != world.rank:
        continue
    dirname, basename = os.path.split(testfile)
    py = 'python'
    if platform.node() == 'labdev-nomad':
        py = '/labEnv3/bin/python'
    args = [py, 'main.py', '--annotate']
    args.append(testfile)
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    print(' '.join(args))
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    proc = Popen(args, stdout=PIPE)
    txt = proc.stdout.read()
    with open('%s.json' % testfile, 'w') as fd:
        fd.write(txt.decode('ascii'))