asyncmd/pyproject.toml at main · bio-phys/asyncmd · GitHub

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[build-system]
requires = ["setuptools >= 64"]
build-backend = "setuptools.build_meta"

[project]
name = "asyncmd"
version = "0.5.0"
dependencies = ["aiofiles",
                "mdanalysis",
                "numpy",
                "scipy",
                ]
# if you change requires-python also change py-version for pylint below!
requires-python = ">=3.10"
authors = [{ name = "Hendrik Jung", email = "hendrik.jung@biophys.mpg.de"}]
maintainers = [{ name = "Hendrik Jung", email = "hendrik.jung@biophys.mpg.de"}]
description = """asyncmd is a library to write concurrent code to run and \
analyze molecular dynamics simulations using pythons async/await syntax."""
readme = "README.md"
keywords = ["molecular dynamics", "molecular-dynamics", "MD",
            "high performance computing", "HPC",
            "slurm", "SLURM",
            "gromacs", "GROMACS",
            ]
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "Natural Language :: English",
    "License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)",
    "Operating System :: OS Independent",
    "Programming Language :: Python",
    "Programming Language :: Python :: 3",
    "Topic :: Scientific/Engineering",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Scientific/Engineering :: Physics",
    "Topic :: Software Development :: Libraries :: Python Modules",
]

[project.optional-dependencies]
docs = ["sphinx", "myst-nb", "sphinx-book-theme"]
tests = ["pytest", "pytest-asyncio"]
tests-all = ["asyncmd[tests]", "h5py", "coverage", "pytest-cov"]
dev = ["asyncmd[docs,tests-all]",
       "jupyterlab", "ipywidgets", "tqdm",  # needed for example notebooks
       "pylint",
       ]

[project.urls]
Documentation = "https://asyncmd.readthedocs.io/en/latest/"
Repository = "https://github.com/bio-phys/asyncmd.git"
Issues = "https://github.com/bio-phys/asyncmd/issues"

[tool.setuptools.packages.find]
where = ["src"]

[tool.setuptools.package-data]
asyncmd = ["py.typed"]

# pylint configuration
[tool.pylint.main]
# Return non-zero exit code if any of these messages/categories are detected,
# even if score is above --fail-under value. Syntax same as enable. Messages
# specified are enabled, while categories only check already-enabled messages.
fail-on = ["E"]

# Specify a score threshold under which the program will exit with error.
fail-under = 9.92

# List of plugins (as comma separated values of python module names) to load,
# usually to register additional checkers.
load-plugins = ["pylint.extensions.bad_builtin",
                "pylint.extensions.broad_try_clause",
                "pylint.extensions.check_elif",
                "pylint.extensions.code_style",
                "pylint.extensions.comparison_placement",
                "pylint.extensions.consider_refactoring_into_while_condition",
                "pylint.extensions.dict_init_mutate",
                "pylint.extensions.docparams",
                "pylint.extensions.eq_without_hash",
                "pylint.extensions.for_any_all",
                "pylint.extensions.overlapping_exceptions",
                "pylint.extensions.redefined_loop_name",
                "pylint.extensions.redefined_variable_type",
                "pylint.extensions.set_membership",
                "pylint.extensions.typing",
                ]

# Minimum Python version to use for version dependent checks. Will default to the
# version used to run pylint.
py-version = "3.10"

[tool.pylint."messages control"]
# Enable the message, report, category or checker with the given id(s). You can
# either give multiple identifier separated by comma (,) or put this option
# multiple time (only on the command line, not in the configuration file where it
# should appear only once). See also the "--disable" option for examples.
enable = ["all"]

[tool.pylint.design]
# increase maximum number of arguments for functions/methods (default=5)
max-args = 6
# but decrease maximum number of positional arguments (default=5)
max-positional-arguments = 4