From 885752c7675b096917dcd458b8deabf5a9be663c Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Sebasti=C3=A1n=20Alarc=C3=B3n=20Villaseca?=
<villaseca@fhi-berlin.mpg.de>
Date: Sun, 16 Oct 2016 23:09:16 +0200
Subject: [PATCH] fixing scala wrapper
---
src/main/scala/eu/nomad_lab/parsers/OrcaParser.scala | 11 ++++++++---
1 file changed, 8 insertions(+), 3 deletions(-)
diff --git a/src/main/scala/eu/nomad_lab/parsers/OrcaParser.scala b/src/main/scala/eu/nomad_lab/parsers/OrcaParser.scala
index 74fb328..9c1f3f7 100644
--- a/src/main/scala/eu/nomad_lab/parsers/OrcaParser.scala
+++ b/src/main/scala/eu/nomad_lab/parsers/OrcaParser.scala
@@ -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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