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pyproject.toml
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pyproject.toml
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[tool.poetry]
name = "znlib"
version = "0.1.1"
description = ""
authors = ["zincwarecode <[email protected]>"]
license = "Apache-2.0"
readme = "README.md"
[tool.poetry.dependencies]
python = ">=3.8,<4.0.0"
colorama = "^0.4.5"
zntrack = { version = "^0.4.3", optional = true }
matplotlib = { version = "^3.6.1", optional = true }
ase = { version = "^3.22.1", optional = true }
cp2k-input-tools = {extras = ["yaml"], version = "^0.8.2", optional = true}
[tool.poetry.extras]
zntrack = ["zntrack", "matplotlib"]
atomistic = ["ase", "zntrack", "cp2k-input-tools"]
[tool.poetry.group.dev.dependencies]
pytest = "^7.2.0"
ruff = "^0.0.86"
black = "^22.10.0"
isort = "^5.10.1"
coverage = "^6.5.0"
pre-commit = "^2.20.0"
jupyterlab = "^3.5.0"
pylint = "^2.15.5"
[tool.poetry.group.zntrack.dependencies]
zntrack = "^0.4.3"
matplotlib = "^3.6.1"
[tool.poetry.group.atomistic.dependencies]
ase = "^3.22.1"
cp2k-input-tools = {extras = ["yaml"], version = "^0.8.2"}
[tool.poetry.urls]
repository = "https://github.com/zincware/znlib"
[build-system]
requires = ["poetry-core>=1.0.0"]
build-backend = "poetry.core.masonry.api"
[tool.poetry.scripts]
znlib = "znlib.cli:znlib_status"
[tool.black]
line-length = 90
preview = true
[tool.isort]
profile = 'black'
multi_line_output = 3
[tool.ruff]
line-length = 90