emmet-builders 0.84.7rc4__py3-none-any.whl → 0.84.9__py3-none-any.whl

emmet/builders/molecules/summary.py

@@ -1,17 +1,25 @@
+from __future__ import annotations
+
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Any, Optional, Iterable, Iterator, List, Dict
-
-# from monty.serialization import loadfn, dumpfn
 
 from maggma.builders import Builder
 from maggma.core import Store
 from maggma.utils import grouper
 
+from emmet.builders.settings import EmmetBuildSettings
 from emmet.core.molecules.summary import MoleculeSummaryDoc
 from emmet.core.utils import jsanitize
-from emmet.builders.settings import EmmetBuildSettings
+
+
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterable, Iterator
+    from typing import Any
+
+# from monty.serialization import loadfn, dumpfn
 
 
 __author__ = "Evan Spotte-Smith"
@@ -43,8 +51,8 @@ class SummaryBuilder(Builder):
         thermo: Store,
         vibes: Store,
         summary: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.molecules = molecules
@@ -198,7 +206,7 @@ class SummaryBuilder(Builder):
         self.summary.ensure_index("last_updated")
         self.summary.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -224,7 +232,7 @@ class SummaryBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into summary documents.
         This does no datetime checking; relying on on whether
@@ -271,20 +279,20 @@ class SummaryBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into a MoleculeSummaryDoc
 
         Args:
-            tasks List[Dict] : a list of MoleculeDocs in dict form
+            tasks list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new orbital docs
         """
 
-        def _group_docs(docs: List[Dict[str, Any]], by_method: bool = False):
+        def _group_docs(docs: list[dict[str, Any]], by_method: bool = False):
             """Helper function to group docs by solvent"""
-            grouped: Dict[str, Any] = dict()
+            grouped: dict[str, Any] = dict()
 
             for doc in docs:
                 solvent = doc.get("solvent")
@@ -367,7 +375,7 @@ class SummaryBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in summary_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new documents into the summary collection
 

emmet/builders/molecules/thermo.py

@@ -1,22 +1,27 @@
+from __future__ import annotations
+
 from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Optional, Iterable, Iterator, List, Dict
-
-from pymatgen.core.structure import Molecule
-from pymatgen.analysis.molecule_matcher import MoleculeMatcher
 
 from maggma.builders import Builder
 from maggma.core import Store
 from maggma.utils import grouper
+from pymatgen.analysis.molecule_matcher import MoleculeMatcher
+from pymatgen.core.structure import Molecule
 
-from emmet.core.qchem.task import TaskDocument
-from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
-from emmet.core.molecules.thermo import get_free_energy, MoleculeThermoDoc
+from emmet.builders.settings import EmmetBuildSettings
+from emmet.core.molecules.thermo import MoleculeThermoDoc, get_free_energy
 from emmet.core.qchem.calc_types import TaskType
+from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import jsanitize
-from emmet.builders.settings import EmmetBuildSettings
+
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterable, Iterator
 
 
 __author__ = "Evan Spotte-Smith"
@@ -119,8 +124,8 @@ class ThermoBuilder(Builder):
         tasks: Store,
         molecules: Store,
         thermo: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.tasks = tasks
@@ -166,7 +171,7 @@ class ThermoBuilder(Builder):
         self.thermo.ensure_index("last_updated")
         self.thermo.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -192,7 +197,7 @@ class ThermoBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into thermo documents.
         This does no datetime checking; relying on on whether
@@ -239,12 +244,12 @@ class ThermoBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into a MoleculeThermoDoc
 
         Args:
-            items List[dict] : a list of MoleculeDocs in dict form
+            items list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new thermo docs
@@ -469,7 +474,7 @@ class ThermoBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in thermo_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new thermo docs into the thermo collection
 

emmet/builders/molecules/trajectory.py

@@ -1,19 +1,24 @@
+from __future__ import annotations
+
 from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Optional, Iterable, Iterator, List, Dict
 
 from maggma.builders import Builder
 from maggma.core import Store
 from maggma.utils import grouper
 
-from emmet.core.qchem.task import TaskDocument
-from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.builders.settings import EmmetBuildSettings
 from emmet.core.molecules.trajectory import ForcesDoc, TrajectoryDoc
+from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import jsanitize
-from emmet.builders.settings import EmmetBuildSettings
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterable, Iterator
 
 __author__ = "Evan Spotte-Smith"
 
@@ -41,8 +46,8 @@ class ForcesBuilder(Builder):
         tasks: Store,
         molecules: Store,
         forces: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.tasks = tasks
@@ -88,7 +93,7 @@ class ForcesBuilder(Builder):
         self.forces.ensure_index("last_updated")
         self.forces.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -114,7 +119,7 @@ class ForcesBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into force documents.
         This does no datetime checking; relying on on whether
@@ -161,12 +166,12 @@ class ForcesBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into ForcesDoc
 
         Args:
-            items List[Dict] : a list of MoleculeDocs in dict form
+            items list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new forces docs
@@ -242,7 +247,7 @@ class ForcesBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in force_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new force docs into the forces collection
 
@@ -294,8 +299,8 @@ class TrajectoryBuilder(Builder):
         tasks: Store,
         molecules: Store,
         trajectories: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.tasks = tasks
@@ -341,7 +346,7 @@ class TrajectoryBuilder(Builder):
         self.trajectories.ensure_index("last_updated")
         self.trajectories.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -365,7 +370,7 @@ class TrajectoryBuilder(Builder):
         for hash_chunk in grouper(to_process_hashes, N):
             yield {"query": {"species_hash": {"$in": list(hash_chunk)}}}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into trajectory documents.
         This does no datetime checking; relying on on whether
@@ -412,12 +417,12 @@ class TrajectoryBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into TrajectoryDocs
 
         Args:
-            items List[Dict] : a list of MoleculeDocs in dict form
+            items list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new trajectory docs
@@ -492,7 +497,7 @@ class TrajectoryBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in trajectory_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new force docs into the trajectories collection
 

emmet/builders/molecules/vibration.py

@@ -1,19 +1,23 @@
+from __future__ import annotations
+
 from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Optional, Iterable, Iterator, List, Dict
+from typing import TYPE_CHECKING
 
 from maggma.builders import Builder
 from maggma.core import Store
 from maggma.utils import grouper
 
-from emmet.core.qchem.task import TaskDocument
-from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.builders.settings import EmmetBuildSettings
 from emmet.core.molecules.vibration import VibrationDoc
+from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import jsanitize
-from emmet.builders.settings import EmmetBuildSettings
 
+if TYPE_CHECKING:
+    from collections.abc import Iterable, Iterator
 
 __author__ = "Evan Spotte-Smith"
 
@@ -44,8 +48,8 @@ class VibrationBuilder(Builder):
         tasks: Store,
         molecules: Store,
         vibes: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.tasks = tasks
@@ -91,7 +95,7 @@ class VibrationBuilder(Builder):
         self.vibes.ensure_index("last_updated")
         self.vibes.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -117,7 +121,7 @@ class VibrationBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into vibration documents.
         This does no datetime checking; relying on on whether
@@ -164,12 +168,12 @@ class VibrationBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into VibrationDocs
 
         Args:
-            items List[Dict] : a list of MoleculeDocs in dict form
+            items list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new vibration docs
@@ -247,7 +251,7 @@ class VibrationBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in vibe_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new vibration docs into the vibes collection
 

emmet/builders/qchem/molecules.py

@@ -1,25 +1,30 @@
+from __future__ import annotations
+
 from datetime import datetime
 from itertools import chain, groupby
 from math import ceil
-from typing import Any, Dict, Iterable, Iterator, List, Optional, Set, Union
 
 import networkx as nx
-
 from maggma.builders import Builder
 from maggma.stores import Store
 from maggma.utils import grouper
 
 from emmet.builders.settings import EmmetBuildSettings
-from emmet.core.utils import get_molecule_id, group_molecules, jsanitize, make_mol_graph
+from emmet.core.qchem.calc_types import CalcType, LevelOfTheory, TaskType
 from emmet.core.qchem.molecule import (
+    MoleculeDoc,
     best_lot,
     evaluate_lot,
     evaluate_task_entry,
-    MoleculeDoc,
 )
 from emmet.core.qchem.task import TaskDocument
-from emmet.core.qchem.calc_types import LevelOfTheory, CalcType, TaskType
+from emmet.core.utils import get_molecule_id, group_molecules, jsanitize, make_mol_graph
+
+from typing import TYPE_CHECKING
 
+if TYPE_CHECKING:
+    from collections.abc import Iterable, Iterator
+    from typing import Any
 
 __author__ = "Evan Spotte-Smith <ewcspottesmith@lbl.gov>"
 
@@ -29,9 +34,9 @@ SETTINGS = EmmetBuildSettings()
 
 def evaluate_molecule(
     mol_doc: MoleculeDoc,
-    funct_scores: Dict[str, int] = SETTINGS.QCHEM_FUNCTIONAL_QUALITY_SCORES,
-    basis_scores: Dict[str, int] = SETTINGS.QCHEM_BASIS_QUALITY_SCORES,
-    solvent_scores: Dict[str, int] = SETTINGS.QCHEM_SOLVENT_MODEL_QUALITY_SCORES,
+    funct_scores: dict[str, int] = SETTINGS.QCHEM_FUNCTIONAL_QUALITY_SCORES,
+    basis_scores: dict[str, int] = SETTINGS.QCHEM_BASIS_QUALITY_SCORES,
+    solvent_scores: dict[str, int] = SETTINGS.QCHEM_SOLVENT_MODEL_QUALITY_SCORES,
 ):
     """
     Helper function to order optimization calcs by
@@ -106,8 +111,8 @@ class MoleculesAssociationBuilder(Builder):
         self,
         tasks: Store,
         assoc: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         """
@@ -146,7 +151,7 @@ class MoleculesAssociationBuilder(Builder):
         self.assoc.ensure_index("task_ids")
         self.assoc.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the molecule builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -170,7 +175,7 @@ class MoleculesAssociationBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[TaskDocument]]:
+    def get_items(self) -> Iterator[list[TaskDocument]]:
         """
         Gets all items to process into molecules (and other) documents.
         This does no datetime checking; relying on on whether
@@ -252,7 +257,7 @@ class MoleculesAssociationBuilder(Builder):
 
             yield to_yield
 
-    def process_item(self, tasks: List[TaskDocument]) -> List[Dict]:
+    def process_item(self, tasks: list[TaskDocument]) -> list[dict]:
         """
         Process the tasks into a MoleculeDoc
 
@@ -288,7 +293,7 @@ class MoleculesAssociationBuilder(Builder):
 
         return jsanitize([mol.model_dump() for mol in molecules], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new molecules into the molecules collection
 
@@ -314,8 +319,8 @@ class MoleculesAssociationBuilder(Builder):
             self.logger.info("No items to update")
 
     def filter_and_group_tasks(
-        self, tasks: List[TaskDocument]
-    ) -> Iterator[List[TaskDocument]]:
+        self, tasks: list[TaskDocument]
+    ) -> Iterator[list[TaskDocument]]:
         """
         Groups tasks by identical structure
         """
@@ -363,8 +368,8 @@ class MoleculesBuilder(Builder):
         self,
         assoc: Store,
         molecules: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         """
@@ -401,7 +406,7 @@ class MoleculesBuilder(Builder):
         self.molecules.ensure_index("task_ids")
         self.molecules.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the molecule builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -450,7 +455,7 @@ class MoleculesBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into molecules (and other) documents.
         This does no datetime checking; relying on on whether
@@ -520,12 +525,12 @@ class MoleculesBuilder(Builder):
 
             yield assoc
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into a MoleculeDoc
 
         Args:
-            tasks List[Dict] : a list of task docs
+            tasks list[dict] : a list of task docs
 
         Returns:
             [dict] : a list of new molecule docs
@@ -556,18 +561,18 @@ class MoleculesBuilder(Builder):
             levels_of_theory = dict()
             solvents = dict()
             lot_solvents = dict()
-            unique_calc_types: Set[Union[str, CalcType]] = set()
-            unique_task_types: Set[Union[str, TaskType]] = set()
-            unique_levels_of_theory: Set[Union[str, LevelOfTheory]] = set()
-            unique_solvents: Set[str] = set()
-            unique_lot_solvents: Set[str] = set()
+            unique_calc_types: set[str | CalcType] = set()
+            unique_task_types: set[str | TaskType] = set()
+            unique_levels_of_theory: set[str | LevelOfTheory] = set()
+            unique_solvents: set[str] = set()
+            unique_lot_solvents: set[str] = set()
             origins = list()
             entries = list()
-            best_entries: Dict[str, Any] = dict()
+            best_entries: dict[str, Any] = dict()
             constituent_molecules = list()
             similar_molecules = list()
 
-            base_doc: Optional[MoleculeDoc] = None
+            base_doc: MoleculeDoc | None = None
 
             # Grab best doc for each solvent
             # A doc is given a solvent based on how the molecule was optimized
@@ -658,7 +663,7 @@ class MoleculesBuilder(Builder):
             [mol.model_dump() for mol in complete_mol_docs], allow_bson=True
         )
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new molecules into the molecules collection
 
@@ -691,7 +696,7 @@ class MoleculesBuilder(Builder):
         else:
             self.logger.info("No items to update")
 
-    def group_mol_docs(self, assoc: List[MoleculeDoc]) -> Iterator[List[MoleculeDoc]]:
+    def group_mol_docs(self, assoc: list[MoleculeDoc]) -> Iterator[list[MoleculeDoc]]:
         """
         Groups molecules by:
             - highest level of theory
@@ -711,7 +716,7 @@ class MoleculesBuilder(Builder):
 
         # Group by charge and spin
         for c_s, group in groupby(sorted(assoc, key=charge_spin), key=charge_spin):
-            subgroups: List[Dict[str, Any]] = list()
+            subgroups: list[dict[str, Any]] = list()
             for mol_doc in group:
                 mol_graph = make_mol_graph(mol_doc.molecule)
                 mol_hash = mol_doc.species_hash

emmet/builders/settings.py

@@ -1,14 +1,13 @@
 """
 Settings for defaults in the build pipelines for the Materials Project
 """
-from typing import List
 
 from pydantic.fields import Field
 
 from emmet.core.provenance import Author, History
+from emmet.core.qchem.calc_types import TaskType as QChemTaskType
 from emmet.core.settings import EmmetSettings
 from emmet.core.vasp.calc_types import TaskType as VaspTaskType
-from emmet.core.qchem.calc_types import TaskType as QChemTaskType
 
 
 class EmmetBuildSettings(EmmetSettings):
@@ -18,28 +17,28 @@ class EmmetBuildSettings(EmmetSettings):
     EMMET_CONFIG_FILE to point to the json with emmet settings
     """
 
-    BUILD_TAGS: List[str] = Field(
+    BUILD_TAGS: list[str] = Field(
         [], description="Tags for calculations to build materials"
     )
-    EXCLUDED_TAGS: List[str] = Field(
+    EXCLUDED_TAGS: list[str] = Field(
         [],
         description="Tags to exclude from materials",
     )
 
-    DEPRECATED_TAGS: List[str] = Field(
+    DEPRECATED_TAGS: list[str] = Field(
         [], description="Tags for calculations to deprecate"
     )
 
-    NON_COMMERCIAL_TAGS: List[str] = Field(
+    NON_COMMERCIAL_TAGS: list[str] = Field(
         [], description="Tages for which to add BY-NC as license data in builder_meta"
     )
 
-    VASP_ALLOWED_VASP_TYPES: List[VaspTaskType] = Field(
+    VASP_ALLOWED_VASP_TYPES: list[VaspTaskType] = Field(
         [t.value for t in VaspTaskType],
         description="Allowed task_types to build materials from",
     )
 
-    QCHEM_ALLOWED_TASK_TYPES: List[QChemTaskType] = Field(
+    QCHEM_ALLOWED_TASK_TYPES: list[QChemTaskType] = Field(
         [
             "Single Point",
             "Force",