# automatically generated by g-sorcery
# please do not edit this file

EAPI=8

REALNAME="${PN}"
LITERALNAME="${PN}"
REALVERSION="${PV}"
DIGEST_SOURCES="yes"
PYTHON_COMPAT=( python{3_11,3_12,3_13,3_14} )
DISTUTILS_USE_PEP517=standalone

inherit python-r1 gs-pypi

DESCRIPTION="A trainable PyTorch reproduction of AlphaFold 3."

HOMEPAGE="https://github.com/bytedance/Protenix"
LICENSE="Apache 2.0 License"
SRC_URI="https://files.pythonhosted.org/packages/source/${REALNAME::1}/${REALNAME}/${REALNAME}-${REALVERSION}.tar.gz"
SOURCEFILE="${REALNAME}-${REALVERSION}.tar.gz"
RESTRICT="test"

SLOT="0"
KEYWORDS="~amd64 ~x86"

IUSE=""
DEPENDENCIES="dev-python/torch[${PYTHON_USEDEP}]
	dev-python/torchvision[${PYTHON_USEDEP}]
	dev-python/torchaudio[${PYTHON_USEDEP}]
	dev-python/cuequivariance-ops-torch-cu12[${PYTHON_USEDEP}]
	dev-python/cuequivariance-torch[${PYTHON_USEDEP}]
	>=dev-python/scipy-1.9.0[${PYTHON_USEDEP}]
	dev-python/ml-collections[${PYTHON_USEDEP}]
	~dev-python/tqdm-4.67.1[${PYTHON_USEDEP}]
	~dev-python/pandas-2.3.1[${PYTHON_USEDEP}]
	dev-python/dm-tree[${PYTHON_USEDEP}]
	~dev-python/pyyaml-6.0.2[${PYTHON_USEDEP}]
	~dev-python/matplotlib-3.10.5[${PYTHON_USEDEP}]
	~dev-python/ipywidgets-8.1.7[${PYTHON_USEDEP}]
	dev-python/py3Dmol[${PYTHON_USEDEP}]
	dev-python/rdkit[${PYTHON_USEDEP}]
	dev-python/biopython[${PYTHON_USEDEP}]
	dev-python/biotite[${PYTHON_USEDEP}]
	dev-python/modelcif[${PYTHON_USEDEP}]
	dev-python/gemmi[${PYTHON_USEDEP}]
	dev-python/pdbeccdutils[${PYTHON_USEDEP}]
	dev-python/fair-esm[${PYTHON_USEDEP}]
	~dev-python/scikit-learn-1.7.1[${PYTHON_USEDEP}]
	dev-python/scikit-learn-extra[${PYTHON_USEDEP}]
	dev-python/deepspeed[${PYTHON_USEDEP}]
	>=dev-python/pydantic-2.0.0[${PYTHON_USEDEP}]
	dev-python/triton[${PYTHON_USEDEP}]
	dev-python/optree[${PYTHON_USEDEP}]
	~dev-python/protobuf-6.31.1[${PYTHON_USEDEP}]
	dev-python/icecream[${PYTHON_USEDEP}]
	~dev-python/ipdb-0.13.13[${PYTHON_USEDEP}]
	dev-python/wandb[${PYTHON_USEDEP}]
	dev-python/posix-ipc[${PYTHON_USEDEP}]
	~dev-python/numpy-1.26.4[${PYTHON_USEDEP}]"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"