# 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="ChemTSv2 is a flexible and versatile molecule generator based on reinforcement learning with natural language processing."

HOMEPAGE="https://github.com/molecule-generator-collection/ChemTSv2"
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="mp"
DEPENDENCIES="dev-python/tensorflow[${PYTHON_USEDEP}]
	dev-python/tensorflow-macos[${PYTHON_USEDEP}]
	dev-python/tensorflow-cpu-aws[${PYTHON_USEDEP}]
	<dev-python/numpy-1.27.0[${PYTHON_USEDEP}]
	<dev-python/protobuf-4.26.0[${PYTHON_USEDEP}]
	dev-python/rdkit[${PYTHON_USEDEP}]
	dev-python/selfies[${PYTHON_USEDEP}]
	dev-python/pyyaml[${PYTHON_USEDEP}]
	<dev-python/pandas-2.2.0[${PYTHON_USEDEP}]
	dev-python/joblib[${PYTHON_USEDEP}]
	mp? ( <dev-python/mpi4py-3.2.0[${PYTHON_USEDEP}] )"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"