diff --git a/MANIFEST.in b/MANIFEST.in new file mode 100644 index 0000000000000000000000000000000000000000..a0c7f5edbc33b52e42864c8fc480c277e5b38505 --- /dev/null +++ b/MANIFEST.in @@ -0,0 +1 @@ +include cpmdparser/versions/cpmd41/input_data/cpmd_input_tree.pickle \ No newline at end of file diff --git a/cpmdparser/versions/cpmd41/inputparser.py b/cpmdparser/versions/cpmd41/inputparser.py old mode 100644 new mode 100755 index 0bce7365ae1eb4ace133fada3a44956be476415b..e95d0aa13de3464ac051ab547cd99a0dda0fe094 --- a/cpmdparser/versions/cpmd41/inputparser.py +++ b/cpmdparser/versions/cpmd41/inputparser.py @@ -1,11 +1,11 @@ # Copyright 2016-2018 Lauri Himanen, Fawzi Mohamed, Ankit Kariryaa -# +# # 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. @@ -14,11 +14,9 @@ import os import pickle -import logging import numpy as np from nomadcore.baseclasses import AbstractBaseParser from cpmdparser.generic.inputparsing import metainfo_data_prefix, metainfo_section_prefix -logger = logging.getLogger("nomad") class CPMDInputParser(AbstractBaseParser): diff --git a/setup.py b/setup.py index 91d0874bec6466813ece3b13e1559b201a713d18..50652e748769dd644c6cae6c93bd6e76542407a4 100644 --- a/setup.py +++ b/setup.py @@ -30,5 +30,6 @@ def main(): ], ) + if __name__ == "__main__": main()