added python sample files

parser/parser-orca/orca_parser.py

+from builtins import object
+import setup_paths
+from nomadcore.simple_parser import SimpleMatcher, mainFunction
+from nomadcore.local_meta_info import loadJsonFile, InfoKindEl
+import os, sys, json
+
+class OrcaContext(object):
+    """context for the sample parser"""
+
+    def __init__(self):
+        self.parser = None
+
+    def initialize_values(self):
+        """allows to reset values if the same superContext is used to parse different files"""
+        pass
+
+    def startedParsing(self, path, parser):
+        """called when parsing starts"""
+        self.parser = parser
+        # allows to reset values if the same superContext is used to parse different files
+        self.initialize_values()
+
+
+# description of the input
+mainFileDescription = SimpleMatcher(name = 'root',
+              weak = True,
+              startReStr = "",
+              subMatchers = [
+  SimpleMatcher(name = 'newRun',
+                startReStr = r"\s*# SampleParser #\s*",
+                repeats = True,
+                required = True,
+                forwardMatch = True,
+                sections   = ['section_run'],
+                subMatchers = [
+    SimpleMatcher(name = 'header',
+                  startReStr = r"\s*# SampleParser #\s*")
+                ])
+              ])
+
+# loading metadata from nomad-meta-info/meta_info/nomad_meta_info/fhi_aims.nomadmetainfo.json
+
+parserInfo = {
+  "name": "sample_parser",
+  "version": "1.0"
+}
+
+metaInfoPath = os.path.normpath(os.path.join(os.path.dirname(os.path.abspath(__file__)),"../../../../nomad-meta-info/meta_info/nomad_meta_info/orca.nomadmetainfo.json"))
+metaInfoEnv, warnings = loadJsonFile(filePath = metaInfoPath, dependencyLoader = None, extraArgsHandling = InfoKindEl.ADD_EXTRA_ARGS, uri = None)
+
+if __name__ == "__main__":
+    mainFunction(mainFileDescription, metaInfoEnv, parserInfo, superContext=OrcaContext())

parser/parser-orca/setup_paths.py

+import sys, os, os.path
+baseDir = os.path.dirname(os.path.abspath(__file__))
+commonDir = os.path.normpath(os.path.join(baseDir,"../../../../python-common/common/python"))
+
+if not commonDir in sys.path:
+    sys.path.insert(0, commonDir)

src/main/scala/eu/nomad_lab/parsers/OrcaParser.scala

@@ -26,7 +26,7 @@ object OrcaParser extends SimpleExternalParserGenerator(
   cmd = Seq(DefaultPythonInterpreter.python2Exe(), "${envDir}/parsers/orca/parser/parser-orca/OrcaParser.py",
     "--uri", "${mainFileUri}", "${mainFilePath}"),
   resList = Seq(
-    "parser-orca/OrcaParser.py",
+    "parser-orca/orca_parser.py",
     "parser-orca/setup_paths.py",
     "nomad_meta_info/public.nomadmetainfo.json",
     "nomad_meta_info/common.nomadmetainfo.json",