pyproject.toml

# See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/

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

[build-system]
requires = [
    # pin NumPy version used in the build
    #"oldest-supported-numpy",
    "setuptools>=65.0.0",
]
build-backend = "setuptools.build_meta"

[project]
name = "abipy"
dynamic = ["version"]
description = "Python package to automate ABINIT calculations and analyze the results."
readme = "README.rst"
license = { text = "GPL" }
authors = [
    { name = "M. Giantomassi and the AbiPy group", email = "matteo.giantomassi@uclouvain.be" },
]
maintainers = [
    { name = "Matteo Giantomassi", email = "matteo.giantomassi@uclouvain.be" },
]
keywords = [
    "ABINIT",
    "ab-initio",
    "density-function-theory",
    "electronic-structure",
    "first-principles",
    "pymatgen",
]
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: GNU General Public License v2 (GPLv2)",
    "Operating System :: OS Independent",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Scientific/Engineering :: Information Analysis",
    "Topic :: Scientific/Engineering :: Physics",
    "Topic :: Software Development :: Libraries :: Python Modules",
]
dependencies = [
    "apscheduler<=3.10.4",
    "ase",
    "chart-studio",
    "click",
    "ipython",
    "matplotlib",
    "monty",
    "netCDF4",
    "numpy<2.0.0",
    "packaging",
    "pandas",
    "phonopy<=2.31.2",
    "plotly",
    "pydispatcher>=2.0.5",
    "pymatgen==v2024.10.29",
    "monty==v2024.10.21",
    "pyyaml>=3.11",
    "scipy",
    "seaborn",
    "spglib",
    "tabulate",
    "tqdm",
]

[project.urls]
Download = "https://github.com/abinit/abipy"
Homepage = "https://github.com/abinit/abipy"

#[tool.hatch.version]
#path = "abipy/__init__.py"

version = "0.9.8"

[tool.hatch.build.targets.sdist]
include = [
    "/abipy",
]