pyproject.toml

[build-system]
# build the package with [flit](https://flit.readthedocs.io)
requires = ["flit_core >=3.4,<4"]
build-backend = "flit_core.buildapi"

[project]
# See https://www.python.org/dev/peps/pep-0621/
name = "aiida-finales"
dynamic = ["version"]  # read from aiida_diff/__init__.py
description = "AiiDA client for FINALE."
authors = [{name = "The AiiDA Team"}]
readme = "README.md"
license = {file = "LICENSE"}
classifiers = [
    "Programming Language :: Python",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: MIT License",
    "Natural Language :: English",
    "Development Status :: 3 - Alpha",
    "Framework :: AiiDA"
]
keywords = ["aiida", "plugin"]
requires-python = ">=3.9"
dependencies = [
    "aiida-core>=2.0,<3",
    "pydantic",
    "requests",
    "scipy"
]

[project.urls]
Source = "https://github.com/ramirezfranciscof/aiida-finale"

[project.optional-dependencies]
devs = [
    "pgtest~=1.3.1",
    "wheel~=0.31",
    "coverage[toml]",
    "pytest~=6.0",
    "pytest-cov",
    "pre-commit~=2.2",
]
docs = [
    "sphinx",
    "sphinxcontrib-contentui",
    "sphinxcontrib-details-directive",
    "furo",
    "markupsafe<2.1"
]

[project.entry-points."aiida.calculations"]
"aiida_finales.conductivity_estimation" = "aiida_finales.calculations:conductivity_estimation"

[project.entry-points."aiida.workflows"]
"aiida_finales.conductivity_estimation" = 'aiida_finales.workflows:ConductivityEstimationWorkchain'

[project.scripts]
aiida-finales = 'aiida_finales.cli:cmd_root'

[tool.flit.module]
name = "aiida_finales"

[tool.pylint.format]
max-line-length = 125

[tool.pylint.messages_control]
disable = [
    "too-many-ancestors",
    "invalid-name",
    "duplicate-code",
    # black compatibility
    "C0330",
    "C0326",
]

[tool.pytest.ini_options]
# Configuration for [pytest](https://docs.pytest.org)
python_files = "test_*.py example_*.py"
filterwarnings = [
    "ignore::DeprecationWarning:aiida:",
    "ignore::DeprecationWarning:plumpy:",
    "ignore::DeprecationWarning:yaml:",
]

[tool.coverage.run]
# Configuration of [coverage.py](https://coverage.readthedocs.io)
# reporting which lines of your plugin are covered by tests
source=["aiida_diff"]

[tool.isort]
# Configuration of [isort](https://isort.readthedocs.io)
line_length = 120
force_sort_within_sections = true
sections = ['FUTURE', 'STDLIB', 'THIRDPARTY', 'AIIDA', 'FIRSTPARTY', 'LOCALFOLDER']
known_aiida = ['aiida']