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8 changes: 4 additions & 4 deletions .pre-commit-config.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -15,14 +15,14 @@ repos:
types: [python]
- id: flake8
args: ["--max-line-length=120"]
- repo: https://github.com/psf/black
rev: 23.3.0 # Replace by any tag/version: https://github.com/psf/black/tags
- repo: https://github.com/psf/black-pre-commit-mirror
rev: 26.5.1 # Replace by any tag/version: https://github.com/psf/black/tags
hooks:
- id: black
language_version: python3 # Should be a command that runs python3.6+

- repo: https://github.com/ikamensh/flynt/
rev: '0.78'
rev: '1.0.6'
hooks:
- id: flynt
args: [
Expand All @@ -41,6 +41,6 @@ repos:
exclude: '^(docs/)|(examples/)'

- repo: https://github.com/pre-commit/mirrors-mypy
rev: 'v1.2.0' # Use the sha / tag you want to point at
rev: 'v2.1.0' # Use the sha / tag you want to point at
hooks:
- id: mypy
1 change: 1 addition & 0 deletions ase_fleur/__init__.py
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Expand Up @@ -2,6 +2,7 @@
"""
ASE package for interfacing with the FLEUR code
"""

from ase.calculators.calculator import register_calculator_class
from ase_fleur.calculator import Fleur, FleurProfile

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1 change: 1 addition & 0 deletions ase_fleur/calculator.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,7 @@
"""
This module defines a calculator for the Fleur code starting from version v27
"""

from __future__ import annotations

from pathlib import Path
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1 change: 1 addition & 0 deletions ase_fleur/io.py
Original file line number Diff line number Diff line change
Expand Up @@ -10,6 +10,7 @@
masci-tools - https://pypi.org/project/masci-tools/

"""

from __future__ import annotations
import io
from pathlib import Path
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1 change: 1 addition & 0 deletions tests/conftest.py
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Expand Up @@ -2,6 +2,7 @@
"""
Test configuration
"""

from ase_fleur.calculator import FleurProfile, Fleur
from ase.test.factories import factory as factory_dec, Factories, CalculatorInputs
from ase.utils import workdir
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1 change: 1 addition & 0 deletions tests/test_calculator.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,7 @@
"""
Tests of the fleur calculator class
"""

from ase.build import bulk
import pytest
import numpy as np
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1 change: 1 addition & 0 deletions tests/test_io.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,7 @@
"""
Tests of the io formats
"""

import pytest
from pathlib import Path
import numpy as np
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