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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["flit_core >=3.5,<4"]
build-backend = "flit_core.buildapi"
[project]
name = "pymatgen-io-fleur"
dynamic = ["version"] # read from masci_tools/__init__.py
description= "A pymatgen add-on for IO for the fleur code."
authors = [{name = "The JuDFT team", email = "[email protected]"}]
readme = "README.rst"
license = {file = "LICENSE"}
classifiers=[
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Development Status :: 4 - Beta",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent",
"Topic :: Scientific/Engineering :: Information Analysis",
"Topic :: Scientific/Engineering :: Physics",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Software Development :: Libraries :: Python Modules",
]
keywords = ['pymatgen', 'fleur']
requires-python = ">=3.8"
dependencies = [
"pymatgen>=2022.7.8",
"masci-tools>=0.13",
]
[project.optional-dependencies]
testing = [
"pytest~=6.0",
"pytest-cov~=3.0",
]
pre-commit = [
"pre-commit>=2.6.0",
"pylint~=2.12.2"
]
[project.urls]
Home = "https://github.com/JuDFTteam/pymatgen-io-fleur"
Source = "https://github.com/JuDFTteam/pymatgen-io-fleur"
[tool.flit.module]
name = "pymatgen.io.fleur"
[tool.pytest.ini_options]
minversion = "6.0"
addopts = "--durations=30 --quiet --cov=pymatgen/io/fleur --cov-report=xml"
testpaths=[
'pymatgen'
]
[tool.pydocstyle]
ignore = ["D105","D2","D4"]
match-dir="(?!(tests)).*"
[tool.mypy]
ignore_missing_imports = true
[tool.black]
line-length = 120
target-version = ['py38']
include = '\.pyi?$'
exclude = '''
(
/(
\.eggs # exclude a few common directories in the
| \.git # root of the project
| \.hg
| \.mypy_cache
| \.tox
| \.venv
| _build
| buck-out
| build
| dist
)/
)
'''
[tool.pylint.basic]
good-names = [
"_",
"x",
"y",
"z",
"i",
"j",
"k",
]
no-docstring-rgx = "^_"
docstring-min-length = 5
[tool.pylint.classes]
exclude-protected = [
"_asdict",
"_fields",
"_replace",
"_source",
"_make",
"_Element",
"_ElementTree",
"_pprint_dict",
"_pprint_set",
"_dispatch"
]
[tool.pylint.design]
max-locals = 20
[tool.pylint.format]
max-line-length = 120
[tool.pylint.messages_control]
disable = [
"too-few-public-methods",
"too-many-public-methods",
"bad-continuation",
"wrong-import-position",
"line-too-long",
"locally-disabled",
"wildcard-import",
"locally-enabled",
"too-many-instance-attributes",
"fixme",
"len-as-condition",
"wrong-import-order",
"import-outside-toplevel",
"duplicate-code",
"unnecessary-pass",
"invalid-name",
"unused-variable",
"unused-argument",
"unused-import",
"missing-function-docstring",
"too-many-locals",
"too-many-branches",
"no-self-use",
"c-extension-no-member",
"too-many-statements",
"too-many-nested-blocks",
"too-many-lines",
"too-many-return-statements",
"too-many-arguments",
"pointless-string-statement",
"no-member",
"consider-using-f-string"
]