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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["setuptools >= 61.0.0"]
build-backend = "setuptools.build_meta"
[project]
name = "castep_outputs"
authors = [{name = "Jacob Wilkins", email = "[email protected]"}]
dynamic = ["version"]
requires-python = ">= 3.8"
readme = "README.rst"
description = "A package for extracting information from castep outputs"
keywords = ["castep", "dft", "parser"]
license = {text = "BSD-3-Clause"}
classifiers = [
"Development Status :: 4 - Beta",
"Intended Audience :: Science/Research",
"Topic :: File Formats :: JSON",
"Topic :: Scientific/Engineering :: Physics",
"License :: OSI Approved :: BSD License",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
]
[project.optional-dependencies]
ruamel = ["ruamel.yaml>=0.17.22"]
yaml = ["pyYAML>=3.13"]
docs = ["jupyter-book>=0.13.1", "sphinx-book-theme>=0.3.3", "sphinx-argparse>=0.4.0", "sphinx-autodoc-typehints"]
lint = ["ruff"]
[project.scripts]
castep_outputs = "castep_outputs.cli.castep_outputs_main:main"
[project.urls]
Homepage="https://github.com/oerc0122/castep_outputs"
Documentation = "https://oerc0122.github.io/castep_outputs/"
Repository="https://github.com/oerc0122/castep_outputs.git"
"Bug Tracker" = "https://github.com/oerc0122/castep_outputs/issues"
[tool.setuptools.dynamic]
version = {attr = "castep_outputs.__version__"}
[tool.ruff]
line-length = 100
indent-width = 4
target-version = "py38"
# Exclude a variety of commonly ignored directories.
extend-exclude = [
".#*",
"__pycache__",
"test"
]
[tool.ruff.lint]
# Allow unused variables when underscore-prefixed.
select = [
"PL", # Pylint errors
"E", # Pycodestyle
"W", # Pycodestyle warnings
"F", # Pyflakes
"B", # Flake8 bugbear
"SIM", # Flake8 Simplify
"A", # Flake8 builtins
"COM", # Flake8 commas
"ISC", # Flake8 implicit string concat
"RSE", # Flake8 raise
"FA", # Flake8 future
"FBT", # Flake8 boolean trap
"C4", # Flake8 comprehensions
"Q", # Flake8 Quotes
"RET", # Flake8 return
"ARG", # Flake8 unused args
"PTH", # Flake8 use pathlib
"I", # Isort
"RUF", # Ruff specific
"FURB",# Refurb
"PERF",# Perflint
"D", # Pydocstyle
"UP", # Pyupgrade
]
ignore = [
"PLR0913", # Too many arguments
"PLR0912", # Too many branches
"PLR0915", # Too many statements
"PLW2901", # For loop variable overwritten
"PLR2004", # Magic constant value
"D105", # Magic method doc
]
[tool.ruff.lint.pydocstyle]
convention = "numpy"
[tool.isort]
profile = "black"
[tool.numpydoc_validation]
checks = [
"all", # report on all checks, except the below
"EX01",
"SA01",
"ES01",
]
# remember to use single quotes for regex in TOML
exclude = [ # don't report on objects that match any of these regex
'\.undocumented_method$',
'\.__[^.]*__$',
]
override_SS05 = [ # override SS05 to allow docstrings starting with these words
'^Process ',
'^Assess ',
'^Access ',
'^Class ',
]