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nomad-lab
parser-gaussian
Commits
02c301eb
Commit
02c301eb
authored
Feb 10, 2019
by
Daniel Speckhard
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Removed scala files.
parent
f68330c5
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src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala
src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala
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src/main/scala/eu/nomad_lab/parsers/GaussianParser.scala
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f68330c5
/*
* 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
=>
lab
}
import
eu.nomad_lab.DefaultPythonInterpreter
import
org.
{
json4s
=>
jn
}
import
scala.collection.breakOut
object
GaussianParser
extends
SimpleExternalParserGenerator
(
name
=
"GaussianParser"
,
parserInfo
=
jn
.
JObject
(
(
"name"
->
jn
.
JString
(
"GaussianParser"
))
::
(
"parserId"
->
jn
.
JString
(
"GaussianParser"
+
lab
.
GaussianVersionInfo
.
version
))
::
(
"versionInfo"
->
jn
.
JObject
(
(
"nomadCoreVersion"
->
jn
.
JObject
(
lab
.
NomadCoreVersionInfo
.
toMap
.
map
{
case
(
k
,
v
)
=>
k
->
jn
.
JString
(
v
.
toString
)
}(
breakOut
)
:
List
[(
String
,
jn.JString
)]))
::
(
lab
.
GaussianVersionInfo
.
toMap
.
map
{
case
(
key
,
value
)
=>
(
key
->
jn
.
JString
(
value
.
toString
))
}(
breakOut
)
:
List
[(
String
,
jn.JString
)])
))
::
Nil
),
mainFileTypes
=
Seq
(
"text/.*"
),
mainFileRe
=
"""\s*Gaussian, Inc\. All Rights Reserved\.\s*
\s*
\s*This is part of the Gaussian\(R\) [0-9]* program."""
.
r
,
cmd
=
Seq
(
DefaultPythonInterpreter
.
pythonExe
(),
"${envDir}/parsers/gaussian/parser/parser-gaussian/parser_gaussian.py"
,
"--uri"
,
"${mainFileUri}"
,
"${mainFilePath}"
),
resList
=
Seq
(
"parser-gaussian/parser_gaussian.py"
,
"parser-gaussian/setup_paths.py"
,
"nomad_meta_info/public.nomadmetainfo.json"
,
"nomad_meta_info/common.nomadmetainfo.json"
,
"nomad_meta_info/meta_types.nomadmetainfo.json"
,
"nomad_meta_info/gaussian.nomadmetainfo.json"
)
++
DefaultPythonInterpreter
.
commonFiles
(),
dirMap
=
Map
(
"parser-gaussian"
->
"parsers/gaussian/parser/parser-gaussian"
,
"nomad_meta_info"
->
"nomad-meta-info/meta_info/nomad_meta_info"
,
"python"
->
"python-common/common/python/nomadcore"
)
++
DefaultPythonInterpreter
.
commonDirMapping
()
)
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