pyproject.toml

[project]
name = "optimade-maker"
description = "Tools for making OPTIMADE APIs from raw structural data."
readme = "README.md"
version = "0.3.0"
requires-python = ">=3.10"
license = { text = "MIT" }
keywords = ["optimade", "jsonapi", "materials"]

classifiers = [
    "Development Status :: 4 - Beta",
    "Programming Language :: Python :: 3 :: Only",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Intended Audience :: Science/Research",
    "Topic :: Database",
    "Topic :: Scientific/Engineering",
]

dependencies = [
    "pydantic~=2.2",
    "optimade[server,ase]~=1.1",
    "pyyaml~=6.0",
    "pymatgen>=2023.9",
    "pandas >= 1.5, < 3",
    "pybtex~=0.24",
    "tqdm~=4.65",
    "requests~=2.31",
    "numpy >= 1.22, < 3",
    "click~=8.1"
]

[project.optional-dependencies]
tests = ["pytest~=7.4", "pytest-cov~=4.0"]
dev = ["black", "ruff", "pre-commit", "mypy", "isort"]

[tool.ruff]
target-version = "py311"

[tool.ruff.lint]
select = ["E", "F", "I", "W", "Q"]
ignore = ["E501", "E402"]
fixable = ["A", "B", "C", "D", "E", "F", "I"]
unfixable = []
per-file-ignores = {}
# Allow unused variables when underscore-prefixed.
dummy-variable-rgx = "^(_+|(_+[a-zA-Z0-9_]*[a-zA-Z0-9]+?))$"

[tool.mypy]
plugins = "pydantic.mypy"
ignore_missing_imports = true
follow_imports = "skip"

[tool.isort]
known_first_party = "optimade_maker"
profile = "black"

[project.scripts]
optimake = "optimade_maker.cli:cli"