pyproject.toml

[build-system]
requires = ['flit_core >=3.4,<4']
build-backend = 'flit_core.buildapi'

[project]
name = "aiida-zeopp"
dynamic = ['version']
description = "AiiDA plugin for zeo++"
authors = [
    { name = 'Leopold Talirz', email = 'leopold.talirz@epfl.ch' },
    { name = "Miriam Pougin", email = "miriam.pougin@epfl.ch" },
]
readme = 'README.md'
license = {file = 'LICENSE'}
classifiers = [
    'Development Status :: 5 - Production/Stable',
    'Framework :: AiiDA',
    'License :: OSI Approved :: MIT License',
    'Programming Language :: Python',
    'Programming Language :: Python :: 3.8',
    'Programming Language :: Python :: 3.9',
    'Programming Language :: Python :: 3.10',
    'Programming Language :: Python :: 3.11',
]
keywords = ['aiida', 'workflows']
requires-python = '>=3.8'
dependencies = [
    'aiida_core[atomic_tools]~=2.3',
    'importlib_resources',
    'voluptuous',
]

[project.urls]
Home = 'https://github.com/ltalirz/aiida-zeopp'

[project.optional-dependencies]
tests = [
    'pgtest~=1.3,>=1.3.1',
    'pytest~=6.0'
]
pre-commit = [
    'pre-commit~=3.3',
    'black~=23.7',
    'isort~=5.12',
    'pylint~=2.17',
]
dev = [
    'aiida-zeopp[tests,pre-commit]'
]

[project.entry-points.'aiida.calculations']
'zeopp.network' = 'aiida_zeopp.calculations.network:NetworkCalculation'

[project.entry-points.'aiida.parsers']
'zeopp.network' = 'aiida_zeopp.parsers.network:NetworkParser'

[project.entry-points.'aiida.data']
'zeopp.parameters' = 'aiida_zeopp.data.parameters:NetworkParameters'

[tool.black]
line-length = 120
target-version = ['py310']
include = '\.pyi?$'

[tool.pylint.format]
max-line-length = 120

[tool.pylint.messages_control]
disable = [
    "invalid-name",
    "too-many-ancestors",
    "no-member",
    "duplicate-code",
]
module-naming-style="any"

[tool.isort]
profile = "black"

[tool.pytest.ini_options]
python_files = "test_*.py example_*.py"
filterwarnings = [
    "ignore::DeprecationWarning:aiida:",
    "ignore::DeprecationWarning:babel:",
    "ignore::DeprecationWarning:plumpy:",
    "ignore::DeprecationWarning:django:",
    "ignore::DeprecationWarning:frozendict:",
    "ignore::DeprecationWarning:sqlalchemy:",
    "ignore::DeprecationWarning:yaml:",
    "ignore::DeprecationWarning:pymatgen:",
]