pyproject.toml

[tool.poetry]
name = "pyw90"
version = "1.0.7"
description = "A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization."
authors = ["En Wang (Cloudiiink) <wangenzj@gmail.com>"]
license = "GPL-3.0-only"
readme = "README.md"
classifiers = [
    "Programming Language :: Python :: 3",
    "Natural Language :: English",
    "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
    "Operating System :: Unix",
    "Intended Audience :: Science/Research",
    "Topic :: Scientific/Engineering :: Physics"
]
keywords = ["python", "vasp", "wannier90", "tight-binding", "solid-state-physics"]
homepage = "https://github.com/Cloudiiink/pyw90"

[tool.poetry.dependencies]
python = ">=3.8"
pymatgen = "*"
scipy = "*"
numpy = "*"
PyYAML = "*"
pandas = "*"
matplotlib = "*"

[tool.poetry.scripts]
pyw90 = "pyw90.pyw90_cli:main_cli"

[tools.poetry.urls]
"Bug Tracker" = "https://github.com/Cloudiiink/pyw90/issues"

[tool.poetry.group.test.dependencies]
pytest = "*"
pytest-rerunfailures = "*"

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

[[tool.poetry.source]]
name = "aliyun"
url = "https://mirrors.aliyun.com/pypi/simple/"