[tool.poetry]
name = "crystalpol"
version = "0.0.0"
description = "Crystal Optimization Automation using Gaussian16"
authors = ["Vitor Hideyoshi <vitor.h.n.batista@gmail.com>"]
license = "GPL-2.0-only"
readme = "README.md"

[tool.poetry.dependencies]
python = "^3.8"
setproctitle = "^1.3.2"
PyYAML = "^6.0"

[tool.poetry.group.dev.dependencies]
coverage = "^7.2.5"
black = "^23.3.0"
isort = "^5.12.0"
pre-commit = "^3.3.1"
poethepoet = "^0.20.0"

[tool.poetry.scripts]
crystalpol = "crystalpol.__main__:main"

[build-system]
requires = ["poetry-core"]
build-backend = "poetry.core.masonry.api"

[tool.poe.tasks]
hooks = "pre-commit install --config .pre-commit-config.yaml"

[tool.isort]
profile = "black"
line_length = 79
sections=[
    "FUTURE",
    "FIRSTPARTY",
    "LOCALFOLDER",
    "THIRDPARTY",
    "STDLIB",
]