pyproject.toml

[build-system]
requires      = ["setuptools>=61.0.0", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "muse-xtal"
version = "0.1.1"
description = ""
authors = [{ name = "Yuan Chiang", email = "cyrusyc@lbl.gov" }]
license = { file = "LICENSE" }
readme = "README.md"
dependencies = [
    "ase",
    "matplotlib",
    "numpy",
    "mp-api>=0.37.0",
    "python-dotenv"
]
requires-python = ">=3.10"


[project.urls]
Repo = "https://github.com/chiang-yuan/muse"

[tool.setuptools.packages.find]
include = ["muse*"]
exclude = ["tests", "lab"]


[tool.ruff]
include = ["*.py", "*.pyi", "**/pyproject.toml", "*.ipynb"]
# Enable the pycodestyle (`E`) and Pyflakes (`F`) rules by default.
# Unlike Flake8, Ruff doesn't enable pycodestyle warnings (`W`) or
# McCabe complexity (`C901`) by default.
select = [
  "I",      # isort
  "ICN",    # flake8-import-conventions
  "ISC",    # flake8-implicit-str-concat
  "PD",     # pandas-vet
  "SIM",    # flake8-simplify
  "SLOT",   # flake8-slots
  "TCH",    # flake8-type-checking
  "TID",    # flake8-tidy-imports
  "UP",     # pyupgrade
]
ignore = []

# Allow autofix for all enabled rules (when `--fix`) is provided.
fixable = ["ALL"]
unfixable = []

# Exclude a variety of commonly ignored directories.
exclude = [
    ".bzr",
    ".direnv",
    ".eggs",
    ".git",
    ".git-rewrite",
    ".hg",
    ".mypy_cache",
    ".nox",
    ".pants.d",
    ".pytype",
    ".ruff_cache",
    ".svn",
    ".tox",
    ".venv",
    "__pypackages__",
    "_build",
    "buck-out",
    "build",
    "dist",
    "node_modules",
    "venv",
]
per-file-ignores = {}

# Same as Black.
line-length = 88

# Allow unused variables when underscore-prefixed.
dummy-variable-rgx = "^(_+|(_+[a-zA-Z0-9_]*[a-zA-Z0-9]+?))$"

# Assume Python 3.11.
target-version = "py311"

[tool.ruff.pydocstyle]
convention = "google"