Merge pull request #574 from materialsproject/parse_additional_json-i…

…gnore-FW `parse_additional_json()` ignore `FW.json.gz` in output directories
materialsproject · Oct 18, 2023 · 5bf473a · 5bf473a
2 parents 4efc6cb + c86d47f
commit 5bf473a
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diff --git a/src/atomate2/common/utils.py b/src/atomate2/common/utils.py
@@ -116,6 +116,10 @@ def parse_additional_json(dir_name: Path) -> dict[str, Any]:
     additional_json = {}
     for filename in dir_name.glob("*.json*"):
         key = filename.name.split(".")[0]
-        if key not in ("custodian", "transformations"):
+        # ignore FW.json(.gz) so jobflow doesn't try to parse prev_vasp_dir
+        # OutputReferences was causing atomate2 MP workflows to fail with ValueError:
+        # Could not resolve reference 7f5a7f14-464c-4a5b-85f9-8d11b595be3b not in store
+        # or cache contact @janosh in case of questions
+        if key not in ("custodian", "transformations", "FW"):
             additional_json[key] = loadfn(filename, cls=None)
     return additional_json
diff --git a/tests/test_data/vasp/Si_mp_meta_gga_relax/r2scan_relax/outputs/FW.json.gz b/tests/test_data/vasp/Si_mp_meta_gga_relax/r2scan_relax/outputs/FW.json.gz