.pre-commit-config.yaml

---
fail_fast: true
repos:
  - repo: https://github.com/pre-commit/pre-commit-hooks
    rev: "v4.4.0"
    hooks:
      - id: trailing-whitespace
        exclude: |
          (?x)^(
              data/ADF|
              data/DALTON|
              data/FChk|
              data/GAMESS|
              data/Gaussian|
              data/Jaguar|
              data/Molcas|
              data/Molpro|
              data/MOPAC|
              data/NWChem|
              data/ORCA|
              data/Psi4|
              data/QChem|
              data/regression|
              data/Turbomole
          )
      - id: end-of-file-fixer
        exclude: |
          (?x)^(
              data/ADF|
              data/DALTON|
              data/FChk|
              data/GAMESS|
              data/Gaussian|
              data/Jaguar|
              data/Molcas|
              data/Molpro|
              data/MOPAC|
              data/NWChem|
              data/ORCA|
              data/Psi4|
              data/QChem|
              data/regression|
              data/Turbomole
          )
      - id: fix-byte-order-marker
        exclude: |
          (?x)^(
              data/ADF|
              data/DALTON|
              data/FChk|
              data/GAMESS|
              data/Gaussian|
              data/Jaguar|
              data/Molcas|
              data/Molpro|
              data/MOPAC|
              data/NWChem|
              data/ORCA|
              data/Psi4|
              data/QChem|
              data/regression|
              data/Turbomole
          )
      - id: check-merge-conflict
      - id: check-json
      - id: check-yaml
      - id: check-added-large-files
  - repo: https://github.com/PyCQA/isort
    rev: "5.12.0"
    hooks:
      - id: isort
  - repo: https://github.com/psf/black
    rev: "23.3.0"
    hooks:
      - id: black
  - repo: https://github.com/pre-commit/mirrors-mypy
    rev: "v1.3.0"
    hooks:
      - id: mypy
        additional_dependencies:
          - numpy
          - packaging
          - pandas-stubs
          # - scipy
          - types-setuptools
        args: []