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nomad-lab
parser-cpmd
Commits
63970a5f
Commit
63970a5f
authored
6 years ago
by
Daniel Speckhard
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Added a MANIFEST.in to include pickle file in pypi.
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1ae26aee
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MANIFEST.in
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-0
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MANIFEST.in
cpmdparser/versions/cpmd41/inputparser.py
+3
-5
3 additions, 5 deletions
cpmdparser/versions/cpmd41/inputparser.py
setup.py
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setup.py
with
5 additions
and
5 deletions
MANIFEST.in
0 → 100644
+
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63970a5f
include cpmdparser/versions/cpmd41/input_data/cpmd_input_tree.pickle
\ No newline at end of file
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cpmdparser/versions/cpmd41/inputparser.py
100644 → 100755
+
3
−
5
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63970a5f
# Copyright 2016-2018 Lauri Himanen, Fawzi Mohamed, Ankit Kariryaa
# Copyright 2016-2018 Lauri Himanen, Fawzi Mohamed, Ankit Kariryaa
#
#
# Licensed under the Apache License, Version 2.0 (the "License");
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
# You may obtain a copy of the License at
#
#
# http://www.apache.org/licenses/LICENSE-2.0
# http://www.apache.org/licenses/LICENSE-2.0
#
#
# Unless required by applicable law or agreed to in writing, software
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
...
@@ -14,11 +14,9 @@
...
@@ -14,11 +14,9 @@
import
os
import
os
import
pickle
import
pickle
import
logging
import
numpy
as
np
import
numpy
as
np
from
nomadcore.baseclasses
import
AbstractBaseParser
from
nomadcore.baseclasses
import
AbstractBaseParser
from
cpmdparser.generic.inputparsing
import
metainfo_data_prefix
,
metainfo_section_prefix
from
cpmdparser.generic.inputparsing
import
metainfo_data_prefix
,
metainfo_section_prefix
logger
=
logging
.
getLogger
(
"
nomad
"
)
class
CPMDInputParser
(
AbstractBaseParser
):
class
CPMDInputParser
(
AbstractBaseParser
):
...
...
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setup.py
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63970a5f
...
@@ -30,5 +30,6 @@ def main():
...
@@ -30,5 +30,6 @@ def main():
],
],
)
)
if
__name__
==
"
__main__
"
:
if
__name__
==
"
__main__
"
:
main
()
main
()
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