Merge branch 'parser-move' into 'v0.10.0'

Parser move

See merge request !280

tests/normalizing/test_system.py

@@ -241,7 +241,7 @@ def test_vasp_incar_system():
     archive = run_normalize(archive)
     expected_value = 'SrTiO3'  # material's formula in vasp.xml
 
-    backend_value = archive.section_run[0].section_method[0].x_vasp_incar_SYSTEM
+    backend_value = archive.section_run[0].section_method[0].x_vasp_incar_in['SYSTEM']
 
     assert expected_value == backend_value
 

tests/normalizing/test_workflow.py

@@ -33,7 +33,7 @@ def workflow_archive():
 
 def test_no_workflow(workflow_archive):
     vasp_archive = workflow_archive(
-        'parsers/vaspoutcar', 'tests/data/parsers/vasp_outcar/OUTCAR')
+        'parsers/vasp', 'tests/data/parsers/vasp_outcar/OUTCAR_broken')
     assert vasp_archive.section_workflow is None
 
 

tests/parsing/test_parsing.py

@@ -41,7 +41,7 @@ parser_examples = [
     ('parsers/exciting', 'tests/data/parsers/exciting/nitrogen/INFO.OUT_carbon'),
     ('parsers/vasp', 'tests/data/parsers/vasp/vasp.xml'),
     ('parsers/vasp', 'tests/data/parsers/vasp_compressed/vasp.xml.gz'),
-    ('parsers/vaspoutcar', 'tests/data/parsers/vasp_outcar/OUTCAR'),
+    ('parsers/vasp', 'tests/data/parsers/vasp_outcar/OUTCAR'),
     ('parsers/fhi-aims', 'tests/data/parsers/fhi-aims/aims.out'),
     ('parsers/cp2k', 'tests/data/parsers/cp2k/si_bulk8.out'),
     ('parsers/crystal', 'tests/data/parsers/crystal/si.out'),
@@ -85,7 +85,7 @@ for parser, mainfile in parser_examples:
 parser_examples = fixed_parser_examples
 
 
-correct_num_output_files = 115
+correct_num_output_files = 116
 
 
 class TestBackend(object):

tests/processing/test_data.py

@@ -121,6 +121,7 @@ def assert_processing(upload: Upload, published: bool = False):
         # check some domain metadata
         assert entry_metadata.n_atoms > 0
         assert len(entry_metadata.atoms) > 0
+        assert len(entry_metadata.processing_errors) == 0
 
         assert upload.get_calc(calc.calc_id) is not None
 
@@ -532,6 +533,8 @@ def test_task_failure(monkeypatch, uploaded, task, proc_infra, test_user, with_e
             assert 'section_metadata' in calc_archive
             assert calc_archive['section_metadata']['dft']['code_name'] not in [
                 config.services.unavailable_value, config.services.not_processed_value]
+            if task != 'cleanup':
+                assert len(calc_archive['section_metadata']['processing_errors']) > 0
             assert 'processing_logs' in calc_archive
             if task != 'parsing':
                 assert 'section_run' in calc_archive

tests/test_search.py

@@ -339,7 +339,7 @@ def assert_search_upload(
 
 
 if __name__ == '__main__':
-    from test_datamodel import generate_calc  # pylint: disable=import-error
+    from .test_datamodel import generate_calc
     from elasticsearch.helpers import bulk
     import sys
     print('Generate index with random example calculation data. First arg is number of items')