Pp parser memory fix

aiida_quantumespresso/parsers/pp.py

@@ -66,8 +66,6 @@ def parse(self, **kwargs):
  except (IOError, OSError):
  return self.exit_codes.ERROR_OUTPUT_STDOUT_READ
 
- data_raw = []
-
  # Currently all plot output files should start with the `filplot` as prefix. If only one file was produced the
  # prefix is the entire filename, but in the case of multiple files, there will be pairs of two files where the
  # first has the format '{filename_prefix}.{some_random_suffix' and the second has the same name but with the
@@ -88,20 +86,6 @@ def parse(self, **kwargs):
  filenames = retrieved.list_object_names()
  file_opener = retrieved.open
 
- for filename in filenames:
- if filename.endswith(filename_suffix):
- try:
- with file_opener(filename) as handle:
- data_raw.append((filename, handle.read()))
- except OSError:
- return self.exit_codes.ERROR_OUTPUT_DATAFILE_READ.format(filename=filename)
-
- # If we don't have any parsed files, we exit. Note that this will not catch the case where there should be more
- # than one file, but the engine did not retrieve all of them. Since often we anyway don't know how many files
- # should be retrieved there really is no way to check this explicitly.
- if not data_raw:
- return self.exit_codes.ERROR_OUTPUT_DATAFILE_MISSING.format(filename=filename_prefix)
-
  try:
  logs, self.output_parameters = self.parse_stdout(stdout_raw)
  except Exception:
@@ -140,12 +124,25 @@ def get_key_from_filename(filename):
  matches = re.search(pattern, filename)
  return matches.group(1)
 
- for filename, data in data_raw:
- try:
- key = get_key_from_filename(filename)
- data_parsed.append((key, parsers[iflag](data)))
- except Exception: # pylint: disable=broad-except
- return self.exit_codes.ERROR_OUTPUT_DATAFILE_PARSE.format(filename=filename)
+ for filename in filenames:
+ if filename.endswith(filename_suffix):
+ try:
+ with file_opener(filename) as handle:
+ data_raw = handle.read()
+ except OSError:
+ return self.exit_codes.ERROR_OUTPUT_DATAFILE_READ.format(filename=filename)
+
+ try:
+ key = get_key_from_filename(filename)
+ data_parsed.append((key, parsers[iflag](data_raw)))
+ except Exception: # pylint: disable=broad-except
+ return self.exit_codes.ERROR_OUTPUT_DATAFILE_PARSE.format(filename=filename)
+
+ # If we don't have any parsed files, we exit. Note that this will not catch the case where there should be more
+ # than one file, but the engine did not retrieve all of them. Since often we anyway don't know how many files
+ # should be retrieved there really is no way to check this explicitly.
+ if not data_parsed:
+ return self.exit_codes.ERROR_OUTPUT_DATAFILE_MISSING.format(filename=filename_prefix)
 
  # Create output nodes
  if len(data_parsed) == 1: