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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["setuptools>=65"]
build-backend = "setuptools.build_meta"
[project]
name = "agility"
version = "0.0.4"
description = "Analysis tool for simulations of grain boundaries and interfaces"
authors = [{name = "Alexander Bonkowski", email = "[email protected]"}]
maintainers = [{name = "Alexander Bonkowski"}]
dependencies = ["numpy>=1.25", "pandas>=2", "scipy>=1.12", "seaborn>=0.13"]
requires-python = ">=3.9"
readme = "README.md"
license = {file = "LICENSE"}
keywords = ["grain boundaries", "interfaces", "science", "analysis"]
classifiers = [
"Development Status :: 1 - Planning",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Topic :: Scientific/Engineering :: Physics",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Software Development :: Libraries :: Python Modules",
]
[project.urls]
Repo = "https://github.com/ab5424/agility"
Package = "https://pypi.org/project/agility/"
[project.optional-dependencies]
strict = [
"numpy==2.1.3",
"pandas==2.2.3",
"scipy==1.14.1",
"seaborn==0.13.2",
]
tests = [
"pytest-cov>=5",
"pytest-split>=0.9",
"pytest>=8",
]
ovito = [
"ovito>=3.8",
]
ase = [
"ase>=3.23",
]
pymatgen = [
"pymatgen>=2024",
]
[tool.setuptools.packages.find]
include = ["agility", "agility.*"]
exclude = ["tests", "tests.*"]
[tool.ruff]
target-version = "py39"
line-length = 100
lint.select = ["ALL"]
lint.ignore = [
"ANN002", # Missing type annotation for `*args`
"ANN003", # Missing type annotation for `**kwargs`
"ANN101", # Missing type annotation for self in method
"C901", # Function is too complex
"ERA001", # Found commented-out code
"FIX002", # Line contains TODO, consider resolving the issue
"FBT001", # Boolean-typed positional argument in function definition
"FBT002", # Boolean default positional argument in function definition
"PLR0912", # too-many-branches
"PLR0913", # too-many-arguments
"PLR2004", # magic-value-comparison
"S101", # Use of assert detected
"TD002", # Missing author in TODO; try: `# TODO(<author_name>): ...` or `# TODO @<author_name>: ...`
"TD003", # Missing issue link on the line following this TODO
"TD005", # Missing issue description after `TODO`
]
lint.pydocstyle.convention = "google"
lint.isort.required-imports = ["from __future__ import annotations"]
[tool.ruff.lint.per-file-ignores]
"*.ipynb" = ["S", "T201"]
[tool.mypy]
ignore_missing_imports = true
[tool.pyright]
typeCheckingMode = "off"
reportPossiblyUnboundVariable = true
reportUnboundVariable = true
reportMissingImports = false
reportMissingModuleSource = false
reportInvalidTypeForm = false
exclude = ["**/tests"]
[tool.codespell]
ignore-words-list = [
"cna",
]
check-filenames = true
[tool.coverage.report]
exclude_lines = [
'if TYPE_CHECKING:',
]