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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["setuptools >= 42", "versioningit ~= 1.0", "wheel"]
build-backend = "setuptools.build_meta"
[project]
name = "qtoolkit"
description = "QToolKit is a python wrapper interfacing with job queues (e.g. PBS, SLURM, ...)."
readme = "README.md"
keywords = []
license = { text = "modified BSD" }
authors = [{ name = "David Waroquiers", email = "[email protected]" }]
dynamic = ["version"]
classifiers = [
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Development Status :: 5 - Production/Stable",
"Intended Audience :: Science/Research",
"Intended Audience :: System Administrators",
"Intended Audience :: Information Technology",
"Operating System :: OS Independent",
"Topic :: Other/Nonlisted Topic",
"Topic :: Scientific/Engineering",
]
requires-python = ">=3.9"
dependencies =[]
[project.optional-dependencies]
dev = [
"pre-commit>=3.0.0",
]
tests = [
"pytest==7.2.1",
"pytest-cov==4.0.0",
"pytest-mock==3.10.0",
"monty>=2022.9.9",
"ruamel.yaml",
]
maintain = [
"git-changelog>=0.6",
]
docs = [
"sphinx",
"sphinx_design",
"pydata-sphinx-theme",
"matplotlib",
"ipython!=8.1.0",
"qtoolkit[remote,msonable]",
]
strict = []
remote = ["fabric>=3.0.0"]
msonable = ["monty>=2022.9.9",]
[project.scripts]
[project.urls]
homepage = "https://matgenix.github.io/qtoolkit/"
repository = "https://github.com/matgenix/qtoolkit"
documentation = "https://matgenix.github.io/qtoolkit/"
changelog = "https://matgenix.github.io/qtoolkit/changelog"
[tool.setuptools.package-data]
qtoolkit = ["py.typed"]
[tool.versioningit.vcs]
method = "git"
default-tag = "0.0.1"
[tool.isort]
profile = "black"
[tool.flake8]
max-line-length = 88
max-doc-length = 88
select = "C, E, F, W, B"
extend-ignore = "E203, W503, E501, F401, RST21"
min-python-version = "3.9.0"
docstring-convention = "numpy"
rst-roles = "class, func, ref, obj"
[tool.mypy]
ignore_missing_imports = true
no_strict_optional = true
[tool.pytest.ini_options]
filterwarnings = [
"ignore:.*POTCAR.*:UserWarning",
"ignore:.*magmom.*:UserWarning",
"ignore:.*is not gzipped.*:UserWarning",
"ignore:.*input structure.*:UserWarning",
"ignore::DeprecationWarning",
]
[tool.coverage.run]
parallel = true
branch = true
[tool.coverage.paths]
source = ["src/"]
[tool.coverage.report]
skip_covered = true
show_missing = true
exclude_lines = [
'^\s*assert False(,|$)',
'if typing.TYPE_CHECKING:',
'^\s*@overload( |$)',
'# pragma: no cover',
]
[tool.autoflake]
in-place = true
remove-all-unused-imports = true
remove-unused-variables = true
ignore-init-module-imports = true
expand-star-imports = true