pyproject.toml

# Copyright 2022 Johannes Reiff
# SPDX-License-Identifier: Apache-2.0

[build-system]
build-backend = 'setuptools.build_meta'
requires = [
    'setuptools >=65.0',
    'setuptools-scm >=6.4',
]


[project]
name = 'rodeo'
authors = [{name = 'Johannes Reiff', email = 'mail@jreiff.de'}]
description = 'A library showcasing transition-state theory algorithms.'
readme = 'README.rst'
urls = {Homepage = 'https://github.com/joreiff/rodeo'}
requires-python = '>=3.10'
license = {text = 'Apache-2.0'}
classifiers = [
    'Development Status :: 5 - Production/Stable',
    'Intended Audience :: Science/Research',
    'License :: OSI Approved :: Apache Software License',
    'Operating System :: OS Independent',
    'Programming Language :: Python',
    'Programming Language :: Python :: 3',
    'Programming Language :: Python :: 3.10',
    'Programming Language :: Python :: 3.11',
    'Programming Language :: Python :: 3 :: Only',
    'Topic :: Scientific/Engineering',
    'Topic :: Scientific/Engineering :: Chemistry',
    'Topic :: Scientific/Engineering :: Mathematics',
    'Topic :: Scientific/Engineering :: Physics',
]
dependencies = [
    'numpy >=1.22,<2',
    'scipy >=1.8,<2',
]
dynamic = ['version']

[project.optional-dependencies]
dev = [
    'pylint >=2.15',
    'pytest >=7.0',
    'sphinx >=5.0,<6',
    'sphinx-rtd-theme >=1.0,<2',
]


[tool.setuptools]
license-files = ['LICENSE', 'NOTICE']
zip-safe = true


[tool.setuptools_scm]
write_to = 'src/rodeo/_version.py'
write_to_template = '''
# Copyright 2022 Johannes Reiff
# SPDX-License-Identifier: Apache-2.0
# pylint: disable=unexpected-line-ending-format

VERSION = '{version}'
'''


[tool.pylint.master]
jobs = 0
ignore = [
    '.git',
]

[tool.pylint.'messages control']
disable = [
    'missing-docstring',
    'no-else-raise',
    'no-else-return',
    'too-few-public-methods',
]

[tool.pylint.basic]
argument-rgx = '[a-z_][a-z0-9_]{,30}$'
variable-rgx = '[a-z_][a-z0-9_]{,30}$'
attr-rgx = '[a-z_][a-z0-9_]{,30}$'

[tool.pylint.design]
max-args = 8

[tool.pylint.format]
expected-line-ending-format = 'LF'

[tool.pylint.logging]
logging-format-style = 'new'


[tool.pytest.ini_options]
testpaths = ['test']
addopts = [
    '--last-failed',
    '--import-mode=importlib',
    '--strict-markers',
]
markers = [
    "slow: marks tests as slow (skip with '-m \"not slow\"' or '--skip-slow')",
]