pyproject.toml

[project]
name = "orb-models"
dynamic = ["version"]
description = "Foundation models for computational chemistry."
readme = "README.md"
requires-python = ">=3.8"
authors = [{name = "Orbital Materials"}]
license = {text = "Apache License, Version 2.0"}
classifiers = [
    "Programming Language :: Python :: 3",
    "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",
]

dependencies = [
    "cached_path>=1.6.2",
    "ase>=3.23.0",
    "numpy>=1.26.4",
    "scipy>=1.13.1",
    "torch>=2.2.0, <3.0.0",
    "dm-tree>=0.1.8",
    "tqdm>=4.66.5",
]

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

[tool.setuptools.packages.find]
where = ["."]
include = ["orb_models*"]

[project.urls]
Homepage = "https://github.com/orbital-materials/orb-models"
Changelog = "https://github.com/orbital-materials/orb-models/releases"
Issues = "https://github.com/orbital-materials/orb-models/issues"
CI = "https://github.com/orbital-materials/orb-models/actions"

[project.optional-dependencies]
test = ["pytest"]

[tool.setuptools.dynamic]
version = {attr = "orb_models.__version__"}