setup.cfg

# Helper file to handle all configs

[coverage:run]
# .coveragerc to control coverage.py and pytest-cov
omit =
    # Omit the tests
    */tests/*
    # Omit generated versioneer
    nonbonded/_version.py
    # Omit the alembic migrations
    nonbonded/backend/alembic/*

[coverage:report]
exclude_lines =
    pragma: no cover
    raise NotImplementedError
    if __name__ == .__main__.:
    if TYPE_CHECKING:

[flake8]
# Flake8, PyFlakes, etc
max-line-length = 88
ignore = E203, E266, E501, W503
select = B,C,E,F,W,T4,B9

[isort]
multi_line_output=3
include_trailing_comma=True
force_grid_wrap=0
use_parentheses=True
line_length=88
known_third_party=
    alembic
    click
    cmiles
    fastapi
    forcebalance
    jinja2
    mock
    numpy
    openeye
    openff
    pandas
    pytest
    rdkit
    pydantic
    requests
    rdkit
    scipy
    sqlalchemy
    sqlalchemy_utils
    starlette
    typing_extensions
    uvicorn

[versioneer]
# Automatic version numbering scheme
VCS = git
style = pep440
versionfile_source = nonbonded/_version.py
versionfile_build = nonbonded/_version.py
tag_prefix = ''
parentdir_prefix = nonbonded-