Extras field of records should not be None/NULL

qcfractal/qcfractal/alembic/versions/2024-10-30-03c96181c90f_record_extras_not_nullable.py

@@ -0,0 +1,33 @@
+"""record extras not nullable
+
+Revision ID: 03c96181c90f
+Revises: 73b4838a6839
+Create Date: 2024-10-30 11:07:37.641631
+
+"""
+
+import sqlalchemy as sa
+from alembic import op
+from sqlalchemy.dialects import postgresql
+
+# revision identifiers, used by Alembic.
+revision = "03c96181c90f"
+down_revision = "73b4838a6839"
+branch_labels = None
+depends_on = None
+
+
+def upgrade():
+    # ### commands auto generated by Alembic - please adjust! ###
+    op.execute("""UPDATE base_record SET extras = '{}' WHERE extras IS NULL""")
+    op.alter_column("base_record", "extras", existing_type=postgresql.JSONB(astext_type=sa.Text()), nullable=False)
+    # ### end Alembic commands ###
+
+
+def downgrade():
+    # ### commands auto generated by Alembic - please adjust! ###
+
+    # No need to set extras to null - empty dict is still just fine
+
+    op.alter_column("base_record", "extras", existing_type=postgresql.JSONB(astext_type=sa.Text()), nullable=True)
+    # ### end Alembic commands ###

qcfractal/qcfractal/components/record_db_models.py

@@ -197,7 +197,7 @@ class BaseRecordORM(BaseORM):
     id = Column(Integer, primary_key=True)
 
     # Extra fields
-    extras = Column(JSONB)
+    extras = Column(JSONB, nullable=False, default=dict)
 
     # Compute status
     # (Denormalized from compute history table for faster lookup during manager claiming/returning)

qcportal/qcportal/record_models.py

@@ -369,7 +369,7 @@ class Config:
     is_service: bool
 
     properties: Optional[Dict[str, Any]]
-    extras: Optional[Dict[str, Any]]
+    extras: Dict[str, Any] = Field({})
 
     status: RecordStatusEnum
     manager_name: Optional[str]
@@ -410,6 +410,13 @@ def __init__(self, client=None, **kwargs):
 
         assert self._client is client, "Client not set in base record class?"
 
+    @validator("extras", pre=True)
+    def _validate_extras(cls, v):
+        # For backwards compatibility. Older servers may have 'None' as the extras
+        if v is None:
+            return {}
+        return v
+
     def __init_subclass__(cls):
         """
         Register derived classes for later use