Commit 9ae0c172 authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen

include license headers

parent dc4b3d50
# 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>
functionals = {'LSDA': ['LDA_X', 'LDA_C_VWN_3'], functionals = {'LSDA': ['LDA_X', 'LDA_C_VWN_3'],
'LDA': ['LDA_X', 'LDA_C_VWN_3'], 'LDA': ['LDA_X', 'LDA_C_VWN_3'],
'SVWN': ['LDA_X', 'LDA_C_VWN_3'], 'SVWN': ['LDA_X', 'LDA_C_VWN_3'],
......
#!/usr/bin/env python # 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>
from __future__ import print_function from __future__ import print_function
import os import os
from glob import glob from glob import glob
......
#!/labEnv3/bin/python # Copyright 2016-2018 The NOMAD Developers Group
# XXXXX ugly hashbang #
# 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>
from __future__ import print_function from __future__ import print_function
import os import os
import sys import sys
......
#!/usr/bin/env python # Copyright 2016-2018 The NOMAD Developers Group
#
# xXXXXxx This file copied from GULP XXXxxXxxXXXX # 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>
from __future__ import print_function from __future__ import print_function
from glob import glob from glob import glob
...@@ -17,20 +29,6 @@ opts, args = p.parse_args() ...@@ -17,20 +29,6 @@ opts, args = p.parse_args()
if len(args) == 0: if len(args) == 0:
testfiles = glob('test/test???.input.out') testfiles = glob('test/test???.input.out')
testfiles.sort() testfiles.sort()
#tests = {}
#testfiles.sort()
#print(testfiles)
#pat = re.compile('test/outputs/example(\d+)[ab]?.got')
#for fname in testfiles:
# print(fname, pat.match(fname))
#testfiles.sort(key=lambda fname:
# int(pat.match(fname).group(1)))
#for f in testfiles:
# print(f)
else: else:
testfiles = argv testfiles = argv
...@@ -38,8 +36,6 @@ for i, testfile in enumerate(testfiles): ...@@ -38,8 +36,6 @@ for i, testfile in enumerate(testfiles):
if i % world.size != world.rank: if i % world.size != world.rank:
continue continue
dirname, basename = os.path.split(testfile) dirname, basename = os.path.split(testfile)
#print(testfile)
#print(basename)
py = 'python' py = 'python'
if platform.node() == 'labdev-nomad': if platform.node() == 'labdev-nomad':
py = '/labEnv3/bin/python' py = '/labEnv3/bin/python'
......
# 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>
import sys, os, os.path import sys, os, os.path
baseDir = os.path.dirname(os.path.abspath(__file__)) baseDir = os.path.dirname(os.path.abspath(__file__))
commonDir = os.path.normpath(os.path.join(baseDir,"../../../../python-common/common/python")) commonDir = os.path.normpath(os.path.join(baseDir,"../../../../python-common/common/python"))
......
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