conda-forge

.github/workflows/run_tests.yml

@@ -34,7 +34,7 @@ jobs:
         run: |
           # NOTE(skearnes): conda is only used for postgres (not python).
           # NOTE(skearnes): rdkit-postgresql may not be available for ARM.
-          conda install -c rdkit rdkit-postgresql==2020.03.3.0 || conda install postgresql==12.2
+          conda install -c rdkit rdkit-postgresql==2020.03.3.0 || conda install -c conda-forge postgresql
           initdb
       - uses: actions/setup-python@v4
         with:

ord_schema/orm/database.py

@@ -20,7 +20,7 @@
 from sqlalchemy import cast, delete, func, select, text, update
 from sqlalchemy.dialects.postgresql import insert
 from sqlalchemy.engine import Engine
-from sqlalchemy.exc import OperationalError
+from sqlalchemy.exc import OperationalError, NotSupportedError
 from sqlalchemy.orm import Session
 
 from ord_schema.logging import get_logger
@@ -59,12 +59,12 @@ def prepare_database(engine: Engine) -> bool:
         with engine.begin() as connection:
             # NOTE(skearnes): The RDKit PostgreSQL extension works best in the public schema.
             connection.execute(text("CREATE EXTENSION IF NOT EXISTS rdkit"))
-            rdkit_cartridge = True
-    except OperationalError:
+        rdkit_cartridge = True
+    except (OperationalError, NotSupportedError):
         with engine.begin() as connection:
             logger.warning("RDKit PostgreSQL cartridge is not installed; structure search will be disabled")
             connection.execute(text("CREATE EXTENSION IF NOT EXISTS btree_gist"))
-            rdkit_cartridge = False
+        rdkit_cartridge = False
     with patch.dict(os.environ, {"ORD_POSTGRES_RDKIT": "1" if rdkit_cartridge else "0"}):
         Base.metadata.create_all(engine)
     return rdkit_cartridge