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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["setuptools", "setuptools_scm"]
build-backend = "setuptools.build_meta"
[project]
name = "atomlite"
maintainers = [
{ name = "Lukas Turcani", email = "[email protected]" },
]
dependencies = [
"polars",
"rdkit",
]
requires-python = ">=3.11"
dynamic = ["version"]
readme = "README.rst"
description = "A SQLite chemical database."
[project.optional-dependencies]
dev = [
"ruff",
"mypy",
"numpy",
"pytest",
"pytest-cov",
"sphinx",
"sphinx-copybutton",
"build",
"twine",
"furo",
]
[project.urls]
github = "https://github.com/lukasturcani/atomlite"
documentation = "https://atomlite.readthedocs.io"
[tool.setuptools_scm]
[tool.ruff]
line-length = 79
[tool.ruff.lint]
select = ["ALL"]
ignore = ["ANN101", "COM812", "ISC001"]
[tool.ruff.lint.pydocstyle]
convention = "google"
[tool.ruff.lint.per-file-ignores]
"tests/*" = [
"D100",
"D101",
"D102",
"D103",
"D104",
"D105",
"D106",
"D107",
"S101",
"INP001",
]
"docs/source/conf.py" = ["D100", "INP001"]
[tool.mypy]
show_error_codes = true
implicit_optional = false
warn_no_return = true
strict_optional = true
disallow_untyped_defs = true
disallow_incomplete_defs = true
check_untyped_defs = true
disallow_untyped_decorators = true
warn_unreachable = true
disallow_any_generics = true
[[tool.mypy.overrides]]
module = [
"rdkit.*"
]
ignore_missing_imports = true