Made two parsers for diff gpaw files.

gpawparser/__init__.py

-from gpawparser.parser import GpawParserWrapper
+from gpawparser.parser import GPAWParserWrapper
+from gpawparser.parser2 import GPAWParser2Wrapper

gpawparser/parser.py

@@ -41,13 +41,6 @@ def c(value, unit=None):
 parser_info = {"name": "parser_gpaw", "version": "1.0"}
 path = '../../../../nomad-meta-info/meta_info/nomad_meta_info/' +\
         'gpaw.nomadmetainfo.json'
-# metaInfoPath = os.path.normpath(
-#     os.path.join(os.path.dirname(os.path.abspath(__file__)), path))
-
-# metaInfoEnv, warns = loadJsonFile(filePath=metaInfoPath,
-#                                   dependencyLoader=None,
-#                                   extraArgsHandling=InfoKindEl.ADD_EXTRA_ARGS,
-#                                   uri=None)
 
 import nomad_meta_info
 metaInfoPath = os.path.normpath(
@@ -57,14 +50,14 @@ metaInfoEnv, warnings = loadJsonFile(
     filePath = metaInfoPath, dependencyLoader = None,
     extraArgsHandling = InfoKindEl.ADD_EXTRA_ARGS, uri = None)
 
-class GpawParserWrapper():
+class GPAWParserWrapper():
     """ A proper class envolop for running this parser using Noamd-FAIRD infra. """
     def __init__(self, backend, **kwargs):
         self.backend_factory = backend
 
     def parse(self, mainfile):
         from unittest.mock import patch
-        logging.info('lib-atoms parser started')
+        logging.info('GPAW parser started')
         logging.getLogger('nomadcore').setLevel(logging.WARNING)
         backend = self.backend_factory(metaInfoEnv)
         backend = parse_without_class(mainfile, backend)

gpawparser/parser2.py

@@ -16,6 +16,7 @@ from __future__ import division
 import os
 from contextlib import contextmanager
 import numpy as np
+import logging
 from ase import units
 from ase.data import chemical_symbols
 from ase.io.ulm import ulmopen
@@ -23,12 +24,11 @@ from ase.utils import basestring
 #from ase.io.trajectory import read_atoms
 from ase.data import atomic_masses
 from ase.units import Rydberg
-import setup_paths
 from nomadcore.unit_conversion.unit_conversion import convert_unit as cu
 from nomadcore.local_meta_info import loadJsonFile, InfoKindEl
 from nomadcore.parser_backend import JsonParseEventsWriterBackend
-from libxc_names import get_libxc_name
-from default_parameters import parameters as parms
+from gpawparser.libxc_names import get_libxc_name
+from gpawparser.default_parameters import parameters as parms
 
 
 @contextmanager
@@ -46,13 +46,7 @@ def c(value, unit=None):
 parser_info = {"name": "parser2_gpaw", "version": "1.0"}
 path = '../../../../nomad-meta-info/meta_info/nomad_meta_info/' +\
         'gpaw.nomadmetainfo.json'
-# metaInfoPath = os.path.normpath(
-#     os.path.join(os.path.dirname(os.path.abspath(__file__)), path))
 
-# metaInfoEnv, warns = loadJsonFile(filePath=metaInfoPath,
-#                                   dependencyLoader=None,
-#                                   extraArgsHandling=InfoKindEl.ADD_EXTRA_ARGS,
-#                                   uri=None)
 import nomad_meta_info
 metaInfoPath = os.path.normpath(
     os.path.join(os.path.dirname(os.path.abspath(nomad_meta_info.__file__)),
@@ -61,8 +55,23 @@ metaInfoEnv, warnings = loadJsonFile(
     filePath = metaInfoPath, dependencyLoader = None,
     extraArgsHandling = InfoKindEl.ADD_EXTRA_ARGS, uri = None)
 
-def parse(filename):
-    p = JsonParseEventsWriterBackend(metaInfoEnv)
+class GPAWParser2Wrapper():
+    """ A proper class envolop for running this parser using Noamd-FAIRD infra. """
+    def __init__(self, backend, **kwargs):
+        self.backend_factory = backend
+
+    def parse(self, mainfile):
+        from unittest.mock import patch
+        logging.info('GPAW parser 2 (note the 2) started')
+        logging.getLogger('nomadcore').setLevel(logging.WARNING)
+        backend = self.backend_factory(metaInfoEnv)
+        backend = parse_without_class(mainfile, backend)
+        return backend
+
+
+def parse_without_class(filename, backend):
+    p = backend
+    # p = JsonParseEventsWriterBackend(metaInfoEnv)
     o = open_section
     r = ulmopen(filename) #  Reader(filename)
     p.startedParsingSession(filename, parser_info)
@@ -225,6 +234,7 @@ def parse(filename):
 
 
     p.finishedParsingSession("ParseSuccess", None)
+    return p
 
 if __name__ == '__main__':
     import sys