Fix tests

nomad-coe · Sep 17, 2024 · 0983ea8 · 0983ea8
1 parent 4129622
commit 0983ea8
Show file tree

Hide file tree

Showing 2 changed files with 2 additions and 3 deletions.
diff --git a/atomisticparsers/ase/__main__.py b/atomisticparsers/ase/__main__.py
@@ -22,7 +22,7 @@
 
 from nomad.utils import configure_logging
 from nomad.datamodel import EntryArchive
-from atomisticparsers.asap import AseParser
+from atomisticparsers.ase import AseParser
 
 if __name__ == '__main__':
     configure_logging(console_log_level=logging.DEBUG)

diff --git a/atomisticparsers/utils/parsers.py b/atomisticparsers/utils/parsers.py
@@ -36,7 +36,6 @@
 )
 from simulationworkflowschema.molecular_dynamics import (
     MolecularDynamics,
-    MolecularDynamicsMethod,
 )
 
 
@@ -183,7 +182,7 @@ def parse_md_workflow(self, data: Dict[str, Any]) -> None:
         if self.archive is None:
             return
 
-        sec_workflow = self.archive.workflow2 or MolecularDynamics()
+        sec_workflow = MolecularDynamics()
         self.parse_section(data, sec_workflow)
         self.archive.workflow2 = sec_workflow