pyproject.toml

[build-system]
requires = [
  "setuptools >= 40.9.0",
  "versioningit",
  "wheel",
]
build-backend = "setuptools.build_meta"

[project]
name = "openff-pablo"
description = "New, independent implementation of `Topology.from_pdb`"
license = { file = "LICENSE" }
authors = [
  { name = "Josh Mitchell", email = "josh.mitchell@openforcefield.org" },
]
maintainers = [
  { name = "Josh Mitchell", email = "josh.mitchell@openforcefield.org" },
]
readme = "README.md"
requires-python = ">=3.11"
dependencies = [
]
keywords = [
  "molecular mechanics",
]
dynamic = [
  "version",
]

[project.optional-dependencies]
test = [
  "pytest>=6.0",
  "pytest-xdist>=2.5",
  "pytest-cov>=3.0",
]
doc = [
  "sphinx",
]

# [project.urls]
# source = "https://github.com/openforcefield/openff-pablo"
# documentation = "https://openff-pablo.readthedocs.io"

[tool.versioningit]

[tool.pytest.ini_options]
minversion = "6.0"
testpaths = [
  "openff/pablo/_tests",
]
markers = [
  "slow: mark the test to be skippable when fast results are needed", #  deselect with `-m "not slow"`
]

[tool.setuptools.packages.find]
include = ["openff.*"]

[tool.pyright]
include = ["openff"]
exclude = [
  ".soap",
  "docs",
  "examples",
]
typeCheckingMode = "strict"

reportUnsupportedDunderAll = "error"
reportUnknownVariableType = "warning"
reportUnknownParameterType = "error"
reportUnknownArgumentType = "warning"
reportUnknownLambdaType = "warning"
reportUnknownMemberType = "warning"
reportAny = "information"
reportMissingTypeStubs = "none"
reportUnnecessaryIsInstance = "none"
reportUnnecessaryTypeIgnoreComment = "error"
reportPrivateUsage = "information"

strictGenericNarrowing = true

[tool.ruff]
namespace-packages = ["openff/pablo/"]

[tool.ruff.lint.isort]
known-third-party = ["openff.toolkit", "openff.utilities", "openff.units"]
known-first-party = ["openff.pablo"]