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Move imports for defects #2169

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merged 4 commits into from
May 22, 2024
Merged

Move imports for defects #2169

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7677baa
Move imports for defects
Andrew-S-Rosen May 22, 2024
7f49d00
pre-commit auto-fixes
pre-commit-ci[bot] May 22, 2024
0f297d9
Update defects.py
Andrew-S-Rosen May 22, 2024
ed27699
pre-commit auto-fixes
pre-commit-ci[bot] May 22, 2024
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11 changes: 7 additions & 4 deletions src/quacc/atoms/defects.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2,20 +2,23 @@

from __future__ import annotations

from importlib.util import find_spec
from typing import TYPE_CHECKING

from monty.dev import requires
from pymatgen.core.periodic_table import DummySpecies
from pymatgen.entries.computed_entries import ComputedStructureEntry
from pymatgen.io.ase import AseAtomsAdaptor

try:
has_deps = (
find_spec("pymatgen.analysis.defects") is not None
and find_spec("shakenbreak") is not None
)

if has_deps:
from pymatgen.analysis.defects.generators import VacancyGenerator
from shakenbreak.input import Distortions

has_deps = True
except ImportError:
has_deps = False

if TYPE_CHECKING:
from ase.atoms import Atoms
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