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

EAPI=8

REALNAME="${PN}"
LITERALNAME="${PN}"
REALVERSION="2.8.1.dev20260121224927"
DIGEST_SOURCES="yes"
PYTHON_COMPAT=( python{3_11,3_12} )
DISTUTILS_USE_PEP517=standalone

inherit python-r1 gs-pypi

DESCRIPTION="Deep learning models for drug discovery,         quantum chemistry, and the life sciences."

HOMEPAGE="https://github.com/deepchem/deepchem"
LICENSE="MIT"
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="dqc jax tensorflow torch"
DEPENDENCIES="dev-python/joblib[${PYTHON_USEDEP}]
	<dev-python/numpy-2.0[${PYTHON_USEDEP}]
	dev-python/pandas[${PYTHON_USEDEP}]
	dev-python/scikit-learn[${PYTHON_USEDEP}]
	dev-python/sympy[${PYTHON_USEDEP}]
	>=dev-python/scipy-1.10.1[${PYTHON_USEDEP}]
	dev-python/rdkit[${PYTHON_USEDEP}]
	jax? ( dev-python/jax[${PYTHON_USEDEP}] )
	jax? ( dev-python/jaxlib[${PYTHON_USEDEP}] )
	jax? ( dev-python/dm-haiku[${PYTHON_USEDEP}] )
	jax? ( dev-python/optax[${PYTHON_USEDEP}] )
	torch? ( dev-python/torch[${PYTHON_USEDEP}] )
	torch? ( dev-python/torchvision[${PYTHON_USEDEP}] )
	torch? ( dev-python/pytorch-lightning[${PYTHON_USEDEP}] )
	torch? ( dev-python/dgl[${PYTHON_USEDEP}] )
	torch? ( dev-python/dgllife[${PYTHON_USEDEP}] )
	tensorflow? ( dev-python/tensorflow[${PYTHON_USEDEP}] )
	tensorflow? ( dev-python/tensorflow-probability[${PYTHON_USEDEP}] )
	tensorflow? ( dev-python/tensorflow-addons[${PYTHON_USEDEP}] )
	dqc? ( dev-python/dqc[${PYTHON_USEDEP}] )
	dqc? ( dev-python/xitorch[${PYTHON_USEDEP}] )
	dqc? ( dev-python/torch[${PYTHON_USEDEP}] )
	dqc? ( dev-python/pylibxc2[${PYTHON_USEDEP}] )"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"