setup.cfg

[metadata]
name = tad_mctc
version = attr: tad_mctc._version.__version__
description = Torch Autodiff Utility
long_description = file: README.md
long_description_content_type = text/markdown
url = https://github.com/tad-mctc/tad-mctc
author = "Marvin Friede"
license = Apache-2.0
license_files = LICENSE
classifiers =
    Intended Audience :: Science/Research
    License :: OSI Approved :: Apache Software License
    Natural Language :: English
    Operating System :: OS Independent
    Programming Language :: Python :: 3
    Programming Language :: Python :: 3 :: Only
    Programming Language :: Python :: 3.8
    Programming Language :: Python :: 3.9
    Programming Language :: Python :: 3.10
    Programming Language :: Python :: 3.11
    Programming Language :: Python :: 3.12
    Programming Language :: Python :: Implementation :: CPython
    Topic :: Scientific/Engineering
    Typing :: Typed
keywords =
    pytorch
    autograd
    computational chemistry
    quantum chemistry
project_urls =
    Documentation = https://tad-mctc.readthedocs.io
    Source = https://github.com/tad-mctc/tad-mctc
    Tracker = https://github.com/tad-mctc/tad-mctc/issues

[options]
packages = find:
install_requires =
    numpy<2
    opt-einsum
    psutil
    scipy
    torch>=1.11,<3
    typing-extensions
python_requires = >=3.8, <3.13
package_dir =
    =src

[options.packages.find]
where = src

[options.extras_require]
dev =
    black
    covdefaults
    mypy
    pre-commit
    pylint
    pytest
    pytest-cov
    pytest-random-order
    pytest-rerunfailures
    pytest-xdist
    tox
tox =
    covdefaults
    pytest
    pytest-cov
    pytest-random-order
    pytest-rerunfailures
    pytest-xdist

[options.package_data]
tad_mctc =
    py.typed
    **/*.npy
    **/*.npz