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nomad-lab
parser-orca
Commits
885752c7
Commit
885752c7
authored
Oct 16, 2016
by
Alarcon Villaseca, Sebastian (sebas81)
Browse files
fixing scala wrapper
parent
0ecf79b3
Changes
1
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src/main/scala/eu/nomad_lab/parsers/OrcaParser.scala
View file @
885752c7
...
...
@@ -21,8 +21,12 @@ object OrcaParser extends SimpleExternalParserGenerator(
))
::
Nil
),
mainFileTypes
=
Seq
(
"text/.*"
),
//TODO: Update the replacement string (mainFileRe)
mainFileRe
=
"""ORCAORCAORCA"""
.
r
,
mainFileRe
=
"""\s+\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\**\s*
\s+\* O R C A \*\s*
\s+\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\**\s*
\s*
\s*--- An Ab Initio, DFT and Semiempirical electronic structure package ---\s*
"""
.
r
,
cmd
=
Seq
(
DefaultPythonInterpreter
.
pythonExe
(),
"${envDir}/parsers/orca/parser/parser-orca/orca_parser.py"
,
"--uri"
,
"${mainFileUri}"
,
"${mainFilePath}"
),
resList
=
Seq
(
...
...
@@ -36,5 +40,6 @@ object OrcaParser extends SimpleExternalParserGenerator(
dirMap
=
Map
(
"parser-orca"
->
"parsers/orca/parser/parser-orca"
,
"nomad_meta_info"
->
"nomad-meta-info/meta_info/nomad_meta_info"
)
++
DefaultPythonInterpreter
.
commonDirMapping
()
)
++
DefaultPythonInterpreter
.
commonDirMapping
(),
metaInfoEnv
=
Some
(
lab
.
meta
.
KnownMetaInfoEnvs
.
orca
)
)
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