Adapted to nomad-fair.

gromosparser/GROMOSCommon.py

 # Copyright 2018-2018 Berk Onat
-# 
+#
 #   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.
@@ -14,6 +14,7 @@
 
 import logging
 import os
+import metainfo
 
 PARSERNAME = "GROMOS"
 PROGRAMNAME = "gromos"
@@ -22,13 +23,13 @@ PARSERMETANAME = PARSERNAME.lower()
 PARSERTAG = 'x_' + PARSERMETANAME
 
 PARSER_INFO_DEFAULT = {
-        'name'   : PARSERMETANAME+'-parser', 
+        'name'   : PARSERMETANAME+'-parser',
         'version': PARSERVERSION
 }
 
 META_INFO_PATH = os.path.normpath(os.path.join(
-    os.path.dirname(os.path.abspath(__file__)), 
-    "../../../../nomad-meta-info/meta_info/nomad_meta_info/"+PARSERMETANAME+".nomadmetainfo.json"))
+    os.path.dirname(os.path.abspath(metainfo.__file__)),
+    PARSERMETANAME+".nomadmetainfo.json"))
 
 LOGGER = logging.getLogger("nomad."+PROGRAMNAME+"Parser")
 

gromosparser/GROMOSParser.py

@@ -35,6 +35,7 @@ import sys
 import datetime
 import io
 import fnmatch
+from nomadcore.simple_parser import mainFunction
 
 ############################################################
 # This is the parser for the main file of GROMOS.
@@ -2074,6 +2075,7 @@ class GromacsParserInterface():
         backend = self.backend_factory("gromos.nomadmetainfo.json")
         parserInfo = {'name': 'gromos-parser', 'version': '1.0'}
         context = GROMOSParser()
+        context.coverageIgnore = re.compile(r"^(?:" + r"|".join(context.coverageIgnoreList) + r")$")
         with patch.object(sys, 'argv', ['<exe>', '--uri', 'nmd://uri', mainfile]):
             mainFunction(
                 mainFileDescription=context.mainFileDescription(),