45 lines
889 B
TOML
45 lines
889 B
TOML
[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"
|
|
|
|
[tool.poetry-dynamic-versioning]
|
|
enable = true
|
|
vcs = "git"
|
|
|
|
[build-system]
|
|
requires = ["poetry-core"]
|
|
build-backend = "poetry_dynamic_versioning.backend"
|
|
|
|
[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",
|
|
]
|