switch default deprecated tags to setting

materialsproject · May 27, 2021 · 6a5daf4 · 6a5daf4
1 parent 527c46b
commit 6a5daf4
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Showing 2 changed files with 6 additions and 2 deletions.
diff --git a/emmet-core/emmet/core/settings.py b/emmet-core/emmet/core/settings.py
@@ -79,6 +79,10 @@ class EmmetSettings(BaseSettings):
         description="Maximum upward gradient in the last SCF for any VASP calculation",
     )
 
+    VASP_DEPRECATED_TAGS: List[str] = Field(
+        [], description="List of tags to manually deprecate in task validation"
+    )
+
     class Config:
         env_prefix = "emmet_"
         extra = "ignore"

diff --git a/emmet-core/emmet/core/vasp/validation.py b/emmet-core/emmet/core/vasp/validation.py
@@ -1,5 +1,5 @@
 from datetime import datetime
-from typing import Dict, List, Union
+from typing import Dict, List, Optional, Union
 
 import numpy as np
 from pydantic import BaseModel, Field, PyObject
@@ -57,7 +57,7 @@ def from_task_doc(
         input_sets: Dict[str, PyObject] = SETTINGS.VASP_DEFAULT_INPUT_SETS,
         LDAU_fields: List[str] = SETTINGS.VASP_CHECKED_LDAU_FIELDS,
         max_allowed_scf_gradient: float = SETTINGS.VASP_MAX_SCF_GRADIENT,
-        deprecated_tags: Optional[List[str]] = None,
+        deprecated_tags: List[str] = SETTINGS.VASP_DEPRECATED_TAGS,
     ) -> "ValidationDoc":
         """
         Determines if a calculation is valid based on expected input parameters from a pymatgen inputset