[build-system]
requires = ["setuptools>=68"]
build-backend = "setuptools.build_meta"

[project]
name = "rfd4-proteina-prep"
version = "0.1.0"
description = "Annotated-CIF input preparation and output export for the Diffusers RFD4-Proteina pipeline."
requires-python = ">=3.11"
license = { text = "BSD-3-Clause" }
dependencies = ["torch", "numpy", "atomworks[ml]==3.0.4", "scipy", "jaxtyping"]

[project.urls]
Homepage = "https://huggingface.co/nvidia/RFD4-Proteina-prep"
Model = "https://huggingface.co/nvidia/RFD4-Proteina-Diffusers"

[project.optional-dependencies]
test = ["pytest"]
# The design tasks the RFD4 datapipe samples during training. Inference never imports them -- the
# pipeline takes tasks as constructed objects -- so `pip install rfd4-proteina-prep` is unchanged.
# One package, because everything else the training path needs already arrives with atomworks.
train = ["assertpy"]

[tool.setuptools.packages.find]
where = ["src"]

[tool.setuptools.package-data]
# The checkpoint vocabulary. Without it the package falls back to nothing: the encoding is read
# at import time, so a missing resource is a hard failure rather than a silent wrong answer.
rfd4_proteina_prep = ["resources/*.yaml"]