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pyproject.toml
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pyproject.toml
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[build-system]
build-backend = 'flit_core.buildapi'
requires = ['flit_core>=3.4,<4']
[project]
authors = [
{name = 'Sebastiaan P. Huber', email = '[email protected]'}
]
classifiers = [
'Development Status :: 4 - Beta',
'Framework :: AiiDA',
'License :: OSI Approved :: MIT License',
'Operating System :: POSIX :: Linux',
'Operating System :: MacOS :: MacOS X',
'Programming Language :: Python',
'Programming Language :: Python :: 3.9',
'Programming Language :: Python :: 3.10',
'Programming Language :: Python :: 3.11',
'Programming Language :: Python :: 3.12',
'Topic :: Scientific/Engineering'
]
dependencies = [
'aiida-core~=2.6,>=2.6.1',
'dill'
]
dynamic = ['description', 'version']
keywords = ['aiida', 'workflows']
license = {file = 'LICENSE.txt'}
name = 'aiida-shell'
readme = 'README.md'
requires-python = '>=3.9'
[project.entry-points.'aiida.calculations']
'core.shell' = 'aiida_shell.calculations.shell:ShellJob'
[project.entry-points.'aiida.data']
'core.code.installed.shell' = 'aiida_shell.data.code:ShellCode'
'core.entry_point' = 'aiida_shell.data.entry_point:EntryPointData'
'core.pickled' = 'aiida_shell.data.pickled:PickledData'
[project.entry-points.'aiida.parsers']
'core.shell' = 'aiida_shell.parsers.shell:ShellParser'
[project.optional-dependencies]
dev = [
'mypy==1.6.1',
'pre-commit',
'pytest~=6.2',
'pytest-regressions'
]
docs = [
'myst-parser',
'pydata-sphinx-theme~=0.14.3',
'sphinx~=7.2',
'sphinx-copybutton~=0.5.0',
'sphinx-click~=4.0',
'sphinx-design~=0.5.0',
'sphinx-favicon'
]
[project.urls]
documentation = 'https://aiida-shell.readthedocs.io/'
homepage = 'https://github.com/sphuber/aiida-shell'
source = 'https://github.com/sphuber/aiida-shell'
tracker = 'https://github.com/sphuber/aiida-shell/issues'
[tool.flit.module]
name = 'aiida_shell'
[tool.flit.sdist]
exclude = [
'.github/',
'tests/',
'.gitignore',
'.pre-commit-config.yaml'
]
[tool.flynt]
fail-on-change = true
line-length = 120
[tool.mypy]
disallow_untyped_calls = false
exclude = [
'^tests/'
]
strict = true
[[tool.mypy.overrides]]
ignore_missing_imports = true
module = [
'dill.*',
'ruamel.*'
]
[tool.pytest.ini_options]
filterwarnings = [
'ignore:Creating AiiDA configuration folder.*:UserWarning',
'ignore:Object of type .* not in session, .* operation along .* will not proceed:sqlalchemy.exc.SAWarning'
]
[tool.ruff]
ignore = [
'D203', # Incompatible with D211 `no-blank-line-before-class`
'D213' # Incompatible with D212 `multi-line-summary-second-line`
]
line-length = 120
select = [
'E', # pydocstyle
'W', # pydocstyle
'F', # pyflakes
'I', # isort
'N', # pep8-naming
'D', # pydocstyle
'PLC', # pylint-convention
'PLE', # pylint-error
'PLR', # pylint-refactor
'PLW', # pylint-warning
'RUF' # ruff
]
[tool.ruff.format]
quote-style = 'single'