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

EAPI=8

REALNAME="${PN}"
LITERALNAME="${PN}"
REALVERSION="${PV}"
DIGEST_SOURCES="yes"
PYTHON_COMPAT=( python3_11 )
DISTUTILS_USE_PEP517=standalone

inherit python-r1 gs-pypi

DESCRIPTION="Sandbox for Computational Protein Design"

HOMEPAGE="https://github.com/martinez-zacharya/TRILL"
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=""
DEPENDENCIES="~dev-python/setuptools-78.1.1[${PYTHON_USEDEP}]
	~dev-python/urllib3-1.26.18[${PYTHON_USEDEP}]
	<dev-python/numpy-2.0.0[${PYTHON_USEDEP}]
	dev-python/numba[${PYTHON_USEDEP}]
	dev-python/meeko[${PYTHON_USEDEP}]
	<dev-python/loguru-0.8.0[${PYTHON_USEDEP}]
	dev-python/llvmlite[${PYTHON_USEDEP}]
	<dev-python/pytest-9.0.0[${PYTHON_USEDEP}]
	dev-python/fair-esm[${PYTHON_USEDEP}]
	<dev-python/gitpython-4.0.0[${PYTHON_USEDEP}]
	<dev-python/pandas-3.0.0[${PYTHON_USEDEP}]
	dev-python/biotite[${PYTHON_USEDEP}]
	dev-python/transformers[${PYTHON_USEDEP}]
	dev-python/accelerate[${PYTHON_USEDEP}]
	dev-python/datasets[${PYTHON_USEDEP}]
	dev-python/pyfiglet[${PYTHON_USEDEP}]
	dev-python/deepspeed[${PYTHON_USEDEP}]
	dev-python/fairscale[${PYTHON_USEDEP}]
	dev-python/pytorch-lightning[${PYTHON_USEDEP}]
	dev-python/umap-learn[${PYTHON_USEDEP}]
	dev-python/bokeh[${PYTHON_USEDEP}]
	dev-python/rdkit[${PYTHON_USEDEP}]
	dev-python/e3nn[${PYTHON_USEDEP}]
	dev-python/biopython[${PYTHON_USEDEP}]
	dev-python/spyrmsd[${PYTHON_USEDEP}]
	dev-python/sentencepiece[${PYTHON_USEDEP}]
	dev-python/omegaconf[${PYTHON_USEDEP}]
	dev-python/hydra-core[${PYTHON_USEDEP}]
	dev-python/icecream[${PYTHON_USEDEP}]
	<dev-python/chardet-6.0.0[${PYTHON_USEDEP}]
	dev-python/xgboost[${PYTHON_USEDEP}]
	dev-python/skops[${PYTHON_USEDEP}]
	dev-python/biobb-vs[${PYTHON_USEDEP}]
	dev-python/scikit-optimize[${PYTHON_USEDEP}]
	<dev-python/h5py-4.0.0[${PYTHON_USEDEP}]
	dev-python/lightgbm[${PYTHON_USEDEP}]
	dev-python/evaluate[${PYTHON_USEDEP}]
	dev-python/ml-collections[${PYTHON_USEDEP}]
	dev-python/dm-tree[${PYTHON_USEDEP}]
	<dev-python/click-9.0.0[${PYTHON_USEDEP}]
	dev-python/mashumaro[${PYTHON_USEDEP}]
	dev-python/modelcif[${PYTHON_USEDEP}]
	<dev-python/beartype-0.19.0[${PYTHON_USEDEP}]
	dev-python/jaxtyping[${PYTHON_USEDEP}]
	dev-python/gemmi[${PYTHON_USEDEP}]
	dev-python/pandera[${PYTHON_USEDEP}]
	dev-python/antipickle[${PYTHON_USEDEP}]
	~dev-python/scikit-learn-1.4.1_p1[${PYTHON_USEDEP}]
	dev-python/optuna[${PYTHON_USEDEP}]
	<dev-python/matplotlib-4.0.0[${PYTHON_USEDEP}]"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"