Skip to content
Snippets Groups Projects
Commit 885752c7 authored by Alarcon Villaseca, Sebastian (sebas81)'s avatar Alarcon Villaseca, Sebastian (sebas81)
Browse files

fixing scala wrapper

parent 0ecf79b3
No related branches found
No related tags found
No related merge requests found
Hide whitespace changes
Inline Side-by-side
src/main/scala/eu/nomad_lab/parsers/OrcaParser.scala
+ 8
− 3
View file @ 885752c7
...@@ -21,8 +21,12 @@ object OrcaParser extends SimpleExternalParserGenerator( ...@@ -21,8 +21,12 @@ object OrcaParser extends SimpleExternalParserGenerator(
)) :: Nil )) :: Nil
), ),
mainFileTypes = Seq("text/.*"), mainFileTypes = Seq("text/.*"),
//TODO: Update the replacement string (mainFileRe) mainFileRe = """\s+\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\*\**\s*
mainFileRe = """ORCAORCAORCA""".r, \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(), "${envDir}/parsers/orca/parser/parser-orca/orca_parser.py", cmd = Seq(DefaultPythonInterpreter.pythonExe(), "${envDir}/parsers/orca/parser/parser-orca/orca_parser.py",
"--uri", "${mainFileUri}", "${mainFilePath}"), "--uri", "${mainFileUri}", "${mainFilePath}"),
resList = Seq( resList = Seq(
...@@ -36,5 +40,6 @@ object OrcaParser extends SimpleExternalParserGenerator( ...@@ -36,5 +40,6 @@ object OrcaParser extends SimpleExternalParserGenerator(
dirMap = Map( dirMap = Map(
"parser-orca" -> "parsers/orca/parser/parser-orca", "parser-orca" -> "parsers/orca/parser/parser-orca",
"nomad_meta_info" -> "nomad-meta-info/meta_info/nomad_meta_info" "nomad_meta_info" -> "nomad-meta-info/meta_info/nomad_meta_info"
) ++ DefaultPythonInterpreter.commonDirMapping() ) ++ DefaultPythonInterpreter.commonDirMapping(),
metaInfoEnv = Some(lab.meta.KnownMetaInfoEnvs.orca)
) )
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment