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nomad-lab
parser-gaussian
Commits
f68330c5
Commit
f68330c5
authored
Feb 08, 2019
by
Daniel Speckhard
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Fixed section partitioning error with section_system.
parent
018ff68a
Changes
10
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10 changed files
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1626 additions
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35 deletions
+1626
-35
gaussianparser.egg-info/PKG-INFO
gaussianparser.egg-info/PKG-INFO
+10
-0
gaussianparser.egg-info/SOURCES.txt
gaussianparser.egg-info/SOURCES.txt
+10
-0
gaussianparser.egg-info/dependency_links.txt
gaussianparser.egg-info/dependency_links.txt
+1
-0
gaussianparser.egg-info/requires.txt
gaussianparser.egg-info/requires.txt
+1
-0
gaussianparser.egg-info/top_level.txt
gaussianparser.egg-info/top_level.txt
+1
-0
gaussianparser/__init__.py
gaussianparser/__init__.py
+1
-0
gaussianparser/parser_gaussian.py
gaussianparser/parser_gaussian.py
+1569
-0
gaussianparser/setup_paths.py
gaussianparser/setup_paths.py
+0
-0
setup.py
setup.py
+33
-0
src/test/scala/eu/nomad_lab/parsers/GaussianParserSpec.scala
src/test/scala/eu/nomad_lab/parsers/GaussianParserSpec.scala
+0
-35
No files found.
gaussianparser.egg-info/PKG-INFO
0 → 100644
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f68330c5
Metadata-Version: 1.0
Name: gaussianparser
Version: 0.1
Summary: NOMAD parser implementation for Gaussian.
Home-page: UNKNOWN
Author: UNKNOWN
Author-email: UNKNOWN
License: APACHE 2.0
Description: UNKNOWN
Platform: UNKNOWN
gaussianparser.egg-info/SOURCES.txt
0 → 100644
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f68330c5
README.md
setup.py
./gaussianparser/__init__.py
./gaussianparser/parser_gaussian.py
./gaussianparser/setup_paths.py
./gaussianparser.egg-info/PKG-INFO
./gaussianparser.egg-info/SOURCES.txt
./gaussianparser.egg-info/dependency_links.txt
./gaussianparser.egg-info/requires.txt
./gaussianparser.egg-info/top_level.txt
\ No newline at end of file
gaussianparser.egg-info/dependency_links.txt
0 → 100644
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f68330c5
gaussianparser.egg-info/requires.txt
0 → 100644
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f68330c5
nomadcore
gaussianparser.egg-info/top_level.txt
0 → 100644
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f68330c5
gaussianparser
gaussianparser/__init__.py
0 → 100644
View file @
f68330c5
from
gaussianparser.parser_gaussian
import
GaussianParser
gaussianparser/parser_gaussian.py
0 → 100644
View file @
f68330c5
This diff is collapsed.
Click to expand it.
parser/parser-gaussian
/setup_paths.py
→
gaussianparser
/setup_paths.py
View file @
f68330c5
File moved
setup.py
0 → 100644
View file @
f68330c5
# Copyright 2015-2018 Lorenzo Pardini
#
# 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.
from
setuptools
import
setup
,
find_packages
def
main
():
setup
(
name
=
'gaussianparser'
,
version
=
'0.1'
,
description
=
'NOMAD parser implementation for Gaussian.'
,
license
=
'APACHE 2.0'
,
package_dir
=
{
''
:
'./'
},
packages
=
find_packages
(),
install_requires
=
[
'nomadcore'
],
)
if
__name__
==
'__main__'
:
main
()
src/test/scala/eu/nomad_lab/parsers/GaussianParserSpec.scala
deleted
100644 → 0
View file @
018ff68a
/*
* Copyright 2015-2018 Rosendo Valero, 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.
* See the License for the specific language governing permissions and
* limitations under the License.
*/
package
eu.nomad_lab.parsers
import
eu.nomad_lab.
{
parsers
,
DefaultPythonInterpreter
}
import
org.scalacheck.Properties
import
org.specs2.mutable.Specification
import
org.
{
json4s
=>
jn
}
object
GaussianParserSpec
extends
Specification
{
"GaussianParserTest"
>>
{
"test with Al.out"
>>
{
"test with json-events"
>>
{
ParserRun
.
parse
(
GaussianParser
,
"parsers/gaussian/test/examples/Al.out"
,
"json-events"
)
must_==
ParseResult
.
ParseSuccess
}
"test with json"
>>
{
ParserRun
.
parse
(
GaussianParser
,
"parsers/gaussian/test/examples/Al.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
}
}
}
}
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