py4vasp/pyproject.toml at master · vasp-dev/py4vasp · GitHub

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[project]
name = "py4vasp"
version = "0.11.2"
description = "Tool for assisting with the analysis and setup of VASP calculations."
authors = [
    { name = "VASP Software GmbH", email = "py4vasp@vasp.at" },
    { name = "Martin Schlipf", email = "martin.schlipf@gmail.com" },
    { name = "Henrique Miranda", email = "miranda.henrique@gmail.com" },
    { name = "Orest Dubay", email = "orest-d@users.noreply.github.com" },
    { name = "Jonathan Lahnsteiner", email = "jonathan.lahnsteiner@gmx.at" },
    { name = "Eisuke Kawashima", email = "e-kwsm@users.noreply.github.com" },
    { name = "Sudarshan Vijay", email = "sudarshan.vijay@protonmail.com" },
    { name = "Marie-Therese Huebsch", email = "marie-therese.huebsch@vasp.at" },
    { name = "Michael Wolloch", email = "michael.wolloch@vasp.at" },
    { name = "Andreas Singraber", email = "andreas.singraber@vasp.at" },
    { name = "Alexey Tal", email = "alexey.tal@vasp.at" },
    { name = "Tomáš Bučko", email = "tomas.bucko@uniba.sk" },
    { name = "Max Liebetreu", email = "max.liebetreu@vasp.at" },
]
requires-python = ">=3.10"
readme = "README.md"
license = "Apache-2.0"
dependencies = [
    "numpy>=2.0",
    "h5py>=3.9.0",
    "pandas>=2.0",
    "nglview>=3.0.5",
    "ase>=3.23",
    "plotly>=5.23",
    "kaleido>=1.0",
    "ipython>=8.26",
    "scipy>=1.12.0",
    "click>=8.1.8",
]

[project.urls]
Homepage = "https://vasp.at/py4vasp/latest"
Repository = "https://github.com/vasp-dev/py4vasp"
"Support Forum" = "https://vasp.at/forum/"

[project.scripts]
py4vasp = "py4vasp.cli:cli"
error-analysis = "py4vasp.scripts.error_analysis:main"

[project.entry-points."sphinx.builders"]
hugo = "py4vasp._sphinx:setup"

[dependency-groups]
dev = [
    "pytest>=8.0",
    "pytest-cov>=5.0",
    "pylint>=3.0",
    "hypothesis>=6.79",
    "black>=23.7",
    "isort>=5.13",
    "ipykernel>=6.25.0",
    "pre-commit>=3.3.3",
]
doc = [
    "sphinx>=8.0",
    "sphinx-automodapi>=0.16",
]

[tool.uv]
default-groups = [
    "dev",
    "doc",
]

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

[tool.isort]
profile = "black"

[tool.black]
target-version = ["py311"]