# 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 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) print(' '.join(args)) proc = Popen(args, stdout=PIPE) txt = proc.stdout.read() with open('%s.json' % testfile, 'w') as fd: fd.write(txt.decode('ascii'))