.pre-commit-config.yaml

# See https://pre-commit.com for more information
# See https://pre-commit.com/hooks.html for more hooks
---
repos:
  - repo: https://github.com/pre-commit/pre-commit-hooks
    rev: v5.0.0
    hooks:
      - id: trailing-whitespace
        args: [--markdown-linebreak-ext=md]
      - id: end-of-file-fixer
      - id: check-case-conflict
      - id: check-docstring-first
      - id: check-builtin-literals
      - id: check-ast
      - id: check-merge-conflict
      - id: debug-statements
      - id: double-quote-string-fixer
  - repo: https://github.com/stefsmeets/nbcheckorder/
    rev: v0.2.0
    hooks:
      - id: nbcheckorder
  - repo: https://github.com/myint/docformatter
    rev: 06907d0
    hooks:
      - id: docformatter
  - repo: https://github.com/astral-sh/ruff-pre-commit
    rev: v0.6.9
    hooks:
      - id: ruff
        args: [--fix]
        types_or: [python, pyi, jupyter]
      - id: ruff-format
        types_or: [python, pyi, jupyter]
  - repo: https://github.com/pre-commit/mirrors-mypy
    rev: v1.11.2
    hooks:
      - id: mypy
        additional_dependencies: [matplotlib, MDAnalysis, numpy, pymatgen, rich, scikit-image, scipy]