setup.cfg

[metadata]
name = deeperwin
version = 1.2.0
author = Michael Scherbela, Leon Gerard, Rafael Reisenhofer
author_email = deeperwin.datascience@univie.ac.at
description = A JAX based framework to calculate deep-learning VMC solutions to the Schrödinger equation
long_description = file: README.md
long_description_content_type = text/markdown
classifiers =
    Programming Language :: Python :: 3
    License :: OSI Approved :: MIT License
    Operating System :: OS Independent

[options]
package_dir =
    = src
packages = find:
python_requires = >=3.8

setup_requires =
    setuptools >=30.3.0
    wheel

install_requires =
    typing-extensions
    jax
    jaxlib
    dm-haiku
    optax
    chex
    pyscf>=2.3.0
    h5py
    ruamel.yaml
    pydantic>=2.0.0
    wandb
    pandas
    ase
    opt_einsum

[options.packages.find]
where = src
include = deeperwin*

[options.package_data]
deeperwin =
    *.yaml

[options.extras_require]
full = sphinx; sphinx-rtd-theme; pytest; pandas; matplotlib

[options.entry_points]
console_scripts =
    deeperwin = deeperwin.cli:main
    dpe_sweep_agent = deeperwin.sweep_agent:run_sweep_agent
    copy_wandb = deeperwin.run_tools.copy_wandb_run:main