pyproject.toml

[build-system]
requires = ["setuptools >= 61.0"]
build-backend = "setuptools.build_meta"

[project]
name="madas"
version="1.0.5"
description = "The MAterials DAta Similarity framework."
readme = {file = "README.md", content-type = "text/markdown"}
authors = [
    {name="Martin Kuban et al."}
]
maintainers = [
    {name="Martin Kuban", email="kuban@physik.hu-berlin.de"}
]
requires-python = ">= 3.10"
dependencies = [
    "numpy >= 1.26",
    "pandas >= 2.2",
    "ase >= 3.22",
    "matplotlib >= 3.6",
    "tqdm >= 4.64",
    "scikit-learn >= 1.1",
    "requests >= 2.26",
    "bitarray >= 2.4.1"
]
license = {file = "LICENSE"}
classifiers=[
    "Programming Language :: Python :: 3.10",
    "License :: OSI Approved :: Apache Software License",
    "Operating System :: POSIX :: Linux"
]

[project.urls]
Documentation = "https://madas.readthedocs.io"
Source = "https://github.com/kubanmar/madas"
Issues = "https://github.com/kubanmar/madas/issues"

[tool.setuptools.packages.find]
where=[".", "dependencies/dos-fingerprints"]
include=["madas*", "nomad_dos_fingerprints*"]
exclude=["tests*", "timing", "*venv"]