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
    openff/evaluator/_version.py

[coverage:report]
exclude_lines =
    except ImportError:

[flake8]
# Flake8, PyFlakes, etc
max-line-length = 88
ignore = E203, E266, E501, W503
select = B,C,E,F,W,T4,B9
per-file-ignores =
    openff/evaluator/__init__.py:F401

[isort]
multi_line_output=3
include_trailing_comma=True
force_grid_wrap=0
use_parentheses=True
line_length=88
known_third_party=cmiles,dask,dask_jobqueue,dateutil,distributed,mdtraj,networkx,numpy,openmmtools,packmol,pandas,pint,pymbar,pytest,requests,scipy,simtk,uncertainties,yaml,yank,openff.units

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