pyproject.toml

[build-system]
requires = ["setuptools", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "pdyna"
version = "1.1.0"
description = "Perovskite dynamics analysis package"
authors = [{name = "Xia Liang", email = "xia.liang16@imperial.ac.uk"}]
readme = "README.md"
license = {file = "LICENSE"}
classifiers = [
    "License :: OSI Approved :: MIT License",
    "Programming Language :: Python :: 3",
    "Intended Audience :: Science/Research",
    "Operating System :: OS Independent",
    "Topic :: Scientific/Engineering :: Information Analysis",
    "Topic :: Software Development :: Libraries :: Python Modules",
    ]
requires-python = ">=3.8"
dependencies = [
    "numpy",
    "matplotlib",
    "pymatgen",
    "ase",
    "scipy",
]

[project.optional-dependencies]
datasets = ["pymlff"]
docs = ["sphinx", "sphinx-book-theme", "sphinx_design"]
pdf = ["pycairo"]

[project.urls]
Homepage = "https://pdyna.readthedocs.io/en/latest/"
Documentation = "https://pdyna.readthedocs.io/en/latest/"
Package = "https://pypi.org/project/pdyna/"
Repository = "https://github.com/WMD-group/PDynA"