Merge pull request #133 from aiidateam/fix_132_pw_parser_no_xml_file

PwParser: parse the standard output even if xml file is missing
aiidateam · May 9, 2018 · 88aeb45 · 88aeb45
2 parents 1dad61a + f26cbd8
commit 88aeb45
Showing 1 changed file with 4 additions and 2 deletions.
diff --git a/aiida_quantumespresso/parsers/pw.py b/aiida_quantumespresso/parsers/pw.py
@@ -83,10 +83,12 @@ def parse_with_retrieved(self, retrieved):
  # The xml file is required for parsing
  if not self._calc._DATAFILE_XML_BASENAME in list_of_files:
  self.logger.error("The xml output file '{}' was not found but is required".format(self._calc._DATAFILE_XML_BASENAME))
- return False, ()
+ successful = False
+ xml_file = None
+ else:
+ xml_file = os.path.join(out_folder.get_abs_path('.'), self._calc._DATAFILE_XML_BASENAME)
 
  out_file = os.path.join(out_folder.get_abs_path('.'), self._calc._OUTPUT_FILE_NAME)
- xml_file = os.path.join(out_folder.get_abs_path('.'), self._calc._DATAFILE_XML_BASENAME)
 
  # Call the raw parsing function
  parsing_args = [out_file, parameters, parser_opts, xml_file, dir_with_bands]