pyproject.toml

[project]
name = "lightshow"
authors = [
    {"name" = "Matthew R. Carbone", "email" = "mcarbone@bnl.gov"},
    {"name" = "Fanchen Meng"},
    {"name" = "Deyu Lu"},
    {"name" = "Benedikt Maurer"},
    {"name" = "Fabien Peschel"},
    {"name" = "Eli Stavitski"},
    {"name" = "Xiaohui Qu", "email" = "xiaqu@bnl.gov"},
    {"name" = "John T. Vinson"},
    {"name" = "Christian Vorwerk"}
]
dynamic = ["version"]
maintainers = [
    {"name" = "Matthew R. Carbone", "email" = "mcarbone@bnl.gov"},
    {"name" = "Xiaohui Qu", "email" = "xiaqu@bnl.gov"},
]
description = "A one-stop-shop for computational spectroscopy"
readme = "README.md"
classifiers = [
    "Development Status :: 2 - Pre-Alpha",
    "Natural Language :: English",
    "Programming Language :: Python :: 3 :: Only",
    "Programming Language :: Python :: 3",
    "Topic :: Scientific/Engineering",
    "Intended Audience :: Developers",
    "Intended Audience :: Education",
    "Intended Audience :: Science/Research",
]
requires-python = ">=3.9"
dependencies = [
    "ase>=3.23.0",
    "monty>=2024.10.21",
    "mp-api==0.41.2",
    "numpy>=1.26.4",
    "pydantic-core<=2.23.4",
    "pydantic<=2.9.2",
    "pymatgen>=2024.3.1",
    "tqdm>=4.67.0",
]

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

[tool.hatch.version]
path = "lightshow/_version.py"

[project.optional-dependencies]
test = [
    "coverage>=7.6.7",
    "flake8>=7.1.1",
    "nbstripout>=0.8.1",
    "pytest>=8.3.3",
    "pytest-cov>=6.0.0",
    "ruff>=0.7.4",
]
doc = [
    "myst-parser>=3.0.1",
    "numpydoc>=1.8.0",
    "sphinx>=7.4.7",
    "sphinx-copybutton>=0.5.2",
    "sphinx-autobuild>=2024.10.3",
]
extras = [
    "dunamai>=1.23.0",
    "ipython>=8.18.1",
    "jupyterlab>=4.3.1",
    "matplotlib>=3.9.2",
]
all = [
    "lightshow[test]",
    "lightshow[doc]",
    "lightshow[extras]",
]

[tool.ruff]
line-length = 80

[tool.ruff.format]
quote-style = "double"
indent-style = "space"
docstring-code-format = true
docstring-code-line-length = 60