pyproject.toml

[build-system]
requires = ["setuptools>=77", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "hamiltonzero"
version = "0.1.1"
description = "Compiled neural wavefunctions for quantum spin systems"
readme = "README.md"
requires-python = ">=3.12"
authors = [
    {name = "Simulacra Research Inc."},
]
keywords = [
    "neural quantum states",
    "quantum many-body physics",
    "quantum Monte Carlo",
]
classifiers = [
    "Development Status :: 3 - Alpha",
    "Intended Audience :: Science/Research",
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.12",
    "Topic :: Scientific/Engineering :: Physics",
]
license = "Apache-2.0 AND MIT"
license-files = [
    "LICENSE",
    "NOTICE",
    "THIRD_PARTY_NOTICES.md",
    "third_party/folx/LICENSE",
    "third_party/jax/LICENSE",
    "third_party/kfac_jax/LICENSE",
]
dependencies = [
    "absl-py>=2.5",
    "distrax>=0.1.9",
    "dm-tree>=0.1.10",
    "equinox==0.13.6",
    "immutabledict>=4.3",
    "jax==0.11.0",
    "jaxlib==0.11.0",
    "jaxtyping==0.3.9",
    "networkx>=3.5",
    "numpy>=2.3",
    "optax>=0.2.8",
    "packaging>=26",
    "typing-extensions>=4.15",
]

[project.urls]
Homepage = "https://github.com/simulacra-research/HamiltonZero"
Repository = "https://github.com/simulacra-research/HamiltonZero"
Issues = "https://github.com/simulacra-research/HamiltonZero/issues"
"Model weights" = "https://huggingface.co/simulacra-research/HamiltonZero"

[project.optional-dependencies]
notebooks = [
    "jupyterlab>=4.4",
    "matplotlib>=3.10",
]

[project.scripts]
hamiltonzero = "hamiltonzero.cli:main"

[tool.setuptools.packages.find]
where = ["src"]
include = ["hamiltonzero*", "kfac_jax*"]