.pre-commit-config.yaml

# This file is part of dxtb.
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# SPDX-Identifier: Apache-2.0
# Copyright (C) 2024 Grimme Group
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# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
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#     http://www.apache.org/licenses/LICENSE-2.0
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repos:
  - repo: https://github.com/pre-commit/pre-commit-hooks
    rev: v5.0.0
    hooks:
      - id: trailing-whitespace
      - id: end-of-file-fixer
      - id: check-shebang-scripts-are-executable
      - id: check-toml
      - id: check-yaml
      - id: check-added-large-files
        args: ["--maxkb=20000"]
      - id: debug-statements
        language_version: python3

  - repo: https://github.com/asottile/setup-cfg-fmt
    rev: v2.7.0
    hooks:
      - id: setup-cfg-fmt
        args: [--include-version-classifiers, --max-py-version, "3.11"]

  - repo: https://github.com/asottile/pyupgrade
    rev: v3.19.0
    hooks:
      - id: pyupgrade
        args: [--py37-plus, --keep-runtime-typing]

  - repo: https://github.com/pycqa/isort
    rev: 5.13.2
    hooks:
      - id: isort
        name: isort (python)
        args: ["--profile", "black", "--filter-files"]

  - repo: https://github.com/psf/black
    rev: 24.10.0
    hooks:
      - id: black