pyproject.toml

[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"

[project]
name = "spectrumlab"
version = "0.0.1"
description = "A pioneering unified platform designed to systematize and accelerate deep learning research in spectroscopy."
readme = "README.md"
requires-python = ">=3.10"
authors = [
    { name = "Zhuo Yang", email = "yzachary1551@gmail.com" },
    { name = "Tianfan Fu", email = "futianfan@gmail.com" },
]
keywords = ["benchmark", "chemistry", "spectroscopy", "evaluation"]

dependencies = ["dotenv>=0.9.9", "openai>=1.93.0"]

[project.optional-dependencies]
dev = ["pytest>=7.4.0", "black>=23.0.0", "ruff>=0.1.0", "pre-commit>=4.2.0"]
test = ["pytest>=8.4.1", "pytest-asyncio>=1.1.0"]

[project.scripts]
spectrumlab = "spectrumlab.cli.main:main"

[tool.hatch.build.targets.wheel]
packages = ["spectrumlab"]

[tool.hatch.metadata]
allow-direct-references = true

[tool.black]
line-length = 120
skip-string-normalization = true

[tool.pytest.ini_options]
testpaths = ["tests"]
python_files = ["test_*.py"]
python_classes = ["Test*"]
python_functions = ["test_*"]
addopts = "-v --tb=short"