include license headers

parser/parser-molcas/functionals.py

+# 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'],
                'LDA': ['LDA_X', 'LDA_C_VWN_3'],
                'SVWN': ['LDA_X', 'LDA_C_VWN_3'],

parser/parser-molcas/generate_scala_testcode.py

-#!/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
 import os
 from glob import glob

parser/parser-molcas/main.py

-#!/labEnv3/bin/python
-# XXXXX ugly hashbang
+# 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
 import os
 import sys

parser/parser-molcas/runtests.py

-#!/usr/bin/env python
-
-# xXXXXxx This file copied from GULP  XXXxxXxxXXXX
+# 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 glob import glob
@@ -17,20 +29,6 @@ opts, args = p.parse_args()
 if len(args) == 0:
     testfiles = glob('test/test???.input.out')
     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:
     testfiles = argv
 
@@ -38,8 +36,6 @@ for i, testfile in enumerate(testfiles):
     if i % world.size != world.rank:
         continue
     dirname, basename = os.path.split(testfile)
-    #print(testfile)
-    #print(basename)
     py = 'python'
     if platform.node() == 'labdev-nomad':
         py = '/labEnv3/bin/python'

parser/parser-molcas/setup_paths.py

+# 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
 baseDir = os.path.dirname(os.path.abspath(__file__))
 commonDir = os.path.normpath(os.path.join(baseDir,"../../../../python-common/common/python"))