Bug fixes, continuing PEP585 support, PropertyDoc schema

emmet-api/tests/materials/summary/test_query_operators.py

@@ -12,10 +12,9 @@
     SearchESQuery,
 )
 
-from emmet.core.summary import SummaryStats
+from emmet.core.summary import SummaryDoc, SummaryStats
 
 from pymatgen.analysis.magnetism import Ordering
-from emmet.core.summary import SummaryDoc
 
 
 def test_has_props_query():

emmet-builders/emmet/builders/abinit/phonon.py

@@ -1,7 +1,6 @@
 import os
 import tempfile
 from math import ceil
-from typing import Iterator
 
 import numpy as np
 from abipy.abio.inputs import AnaddbInput
@@ -36,6 +35,11 @@
 from emmet.core.polar import BornEffectiveCharges, DielectricDoc, IRDielectric
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterator
+
 SETTINGS = EmmetBuildSettings()
 
 

emmet-builders/emmet/builders/abinit/sound_velocity.py

@@ -1,7 +1,6 @@
 import tempfile
 import traceback
 from math import ceil
-from typing import Iterator
 
 from abipy.dfpt.ddb import DdbFile
 from abipy.dfpt.vsound import SoundVelocity as AbiSoundVelocity
@@ -13,6 +12,11 @@
 from emmet.core.phonon import SoundVelocity
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterator
+
 
 class SoundVelocityBuilder(Builder):
     def __init__(

emmet-builders/emmet/builders/materials/absorption_spectrum.py

@@ -1,5 +1,5 @@
+from __future__ import annotations
 from math import ceil
-from typing import Iterator
 
 import numpy as np
 from maggma.builders import Builder
@@ -10,6 +10,11 @@
 from emmet.core.absorption import AbsorptionDoc
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterator
+
 
 class AbsorptionBuilder(Builder):
     def __init__(

emmet-builders/emmet/builders/materials/corrected_entries.py

@@ -1,10 +1,11 @@
+from __future__ import annotations
+
 import copy
 import warnings
 from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Iterable, Iterator
 
 from maggma.core import Builder, Store
 from maggma.utils import grouper
@@ -16,6 +17,11 @@
 from emmet.core.thermo import ThermoType
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterable, Iterator
+
 
 class CorrectedEntriesBuilder(Builder):
     def __init__(

emmet-builders/emmet/builders/materials/dielectric.py

@@ -1,5 +1,6 @@
+from __future__ import annotations
+
 from math import ceil
-from typing import Iterator
 
 import numpy as np
 from maggma.builders import Builder
@@ -10,6 +11,11 @@
 from emmet.core.polar import DielectricDoc
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterator
+
 
 class DielectricBuilder(Builder):
     def __init__(

emmet-builders/emmet/builders/materials/elasticity.py

@@ -17,8 +17,9 @@
 7. Fit the elastic tensor.
 """
 
+from __future__ import annotations
+
 from datetime import datetime
-from typing import Any, Generator
 
 import numpy as np
 from maggma.core import Builder, Store
@@ -33,6 +34,12 @@
 from emmet.core.utils import jsanitize
 from emmet.core.vasp.calc_types import CalcType
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Generator
+    from typing import Any
+
 
 class ElasticityBuilder(Builder):
     def __init__(

emmet-builders/emmet/builders/materials/electrodes.py

@@ -4,7 +4,6 @@
 from functools import lru_cache
 from itertools import chain
 from math import ceil
-from typing import Any, Iterator
 
 from maggma.builders import Builder
 from maggma.stores import MongoStore
@@ -18,6 +17,12 @@
 from emmet.core.structure_group import StructureGroupDoc, _get_id_lexi
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from typing import Any
+    from collections.abc import Iterator
+
 
 def s_hash(el):
     return el.data["comp_delith"]

emmet-builders/emmet/builders/materials/magnetism.py

@@ -1,5 +1,6 @@
+from __future__ import annotations
+
 from math import ceil
-from typing import Iterator
 
 from maggma.builders import Builder
 from maggma.stores import Store
@@ -9,6 +10,11 @@
 from emmet.core.magnetism import MagnetismDoc
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterator
+
 __author__ = "Shyam Dwaraknath <shyamd@lbl.gov>, Matthew Horton <mkhorton@lbl.gov>"
 
 

emmet-builders/emmet/builders/materials/optimade.py

@@ -1,5 +1,4 @@
 from math import ceil
-from typing import Iterator
 
 from maggma.builders import Builder
 from maggma.core import Store
@@ -9,6 +8,11 @@
 from emmet.core.optimade import OptimadeMaterialsDoc
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterator
+
 
 class OptimadeMaterialsBuilder(Builder):
     def __init__(

emmet-builders/emmet/builders/materials/provenance.py

@@ -1,7 +1,6 @@
 from collections import defaultdict
 from datetime import datetime
 from math import ceil
-from typing import Iterable
 
 from maggma.core import Builder, Store
 from maggma.utils import grouper
@@ -12,6 +11,11 @@
 from emmet.core.provenance import ProvenanceDoc, SNLDict
 from emmet.core.utils import get_sg, jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterable
+
 
 class ProvenanceBuilder(Builder):
     def __init__(

emmet-builders/emmet/builders/materials/thermo.py

@@ -1,8 +1,9 @@
+from __future__ import annotations
+
 import warnings
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Iterator, Set
 
 from maggma.core import Builder, Store
 from maggma.stores import S3Store
@@ -15,6 +16,11 @@
 from emmet.core.thermo import PhaseDiagramDoc, ThermoDoc
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterator
+
 
 class ThermoBuilder(Builder):
     def __init__(
@@ -49,7 +55,7 @@ def __init__(
         self.phase_diagram = phase_diagram
         self.num_phase_diagram_eles = num_phase_diagram_eles
         self.chunk_size = chunk_size
-        self._completed_tasks: Set[str] = set()
+        self._completed_tasks: set[str] = set()
 
         if self.thermo.key != "thermo_id":
             warnings.warn(

emmet-builders/emmet/builders/matscholar/missing_compositions.py

@@ -1,13 +1,17 @@
 import itertools
 from itertools import combinations
 from math import ceil
-from typing import Iterator
 
 from maggma.core import Builder
 from maggma.stores import MongoStore, MongoURIStore, S3Store
 from maggma.utils import grouper
 from pymatgen.core import Composition, Element
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterator
+
 
 class MissingCompositionsBuilder(Builder):
     """

emmet-builders/emmet/builders/molecules/atomic.py

@@ -1,8 +1,9 @@
+from __future__ import annotations
+
 from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Iterable, Iterator
 
 from maggma.builders import Builder
 from maggma.core import Store
@@ -19,6 +20,11 @@
 from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterable, Iterator
+
 __author__ = "Evan Spotte-Smith"
 
 SETTINGS = EmmetBuildSettings()

emmet-builders/emmet/builders/molecules/bonds.py

@@ -1,8 +1,9 @@
+from __future__ import annotations
+
 from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Iterable, Iterator
 
 from maggma.builders import Builder
 from maggma.core import Store
@@ -14,6 +15,11 @@
 from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterable, Iterator
+
 __author__ = "Evan Spotte-Smith"
 
 SETTINGS = EmmetBuildSettings()

emmet-builders/emmet/builders/molecules/electric.py

@@ -1,8 +1,9 @@
+from __future__ import annotations
+
 from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Iterable, Iterator
 
 from maggma.builders import Builder
 from maggma.core import Store
@@ -14,6 +15,11 @@
 from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import jsanitize
 
+from typing import TYPE_CHECKING
+
+if TYPE_CHECKING:
+    from collections.abc import Iterable, Iterator
+
 __author__ = "Evan Spotte-Smith"
 
 SETTINGS = EmmetBuildSettings()

emmet-builders/emmet/builders/molecules/metal_binding.py

@@ -1,8 +1,10 @@
+from __future__ import annotations
+
 import copy
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Iterable, Iterator
+from typing import TYPE_CHECKING
 
 from maggma.builders import Builder
 from maggma.core import Store
@@ -18,6 +20,9 @@
 from emmet.core.qchem.molecule import MoleculeDoc
 from emmet.core.utils import jsanitize
 
+if TYPE_CHECKING:
+    from collections.abc import Iterable, Iterator
+
 __author__ = "Evan Spotte-Smith"
 
 SETTINGS = EmmetBuildSettings()

emmet-builders/emmet/builders/molecules/orbitals.py

@@ -1,8 +1,10 @@
+from __future__ import annotations
+
 from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Iterable, Iterator
+from typing import TYPE_CHECKING
 
 from maggma.builders import Builder
 from maggma.core import Store
@@ -14,6 +16,9 @@
 from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import jsanitize
 
+if TYPE_CHECKING:
+    from collections.abc import Iterable, Iterator
+
 __author__ = "Evan Spotte-Smith"
 
 SETTINGS = EmmetBuildSettings()