# 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="Light adapter classes around Open Babel, RDKit, and ChemAxon for the functionality needed in eQulibrator."

HOMEPAGE="https://gitlab.com/equilibrator/equilibrator-cheminfo"
LICENSE="Apache-2.0"
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="chemaxon development openbabel rdkit"
DEPENDENCIES="dev-python/depinfo[${PYTHON_USEDEP}]
	~dev-python/numpy-1.17[${PYTHON_USEDEP}]
	~dev-python/pandas-1.2[${PYTHON_USEDEP}]
	~dev-python/sqlalchemy-1.4[${PYTHON_USEDEP}]
	~dev-python/tqdm-4.60[${PYTHON_USEDEP}]
	chemaxon? ( dev-python/jpype1[${PYTHON_USEDEP}] )
	development? ( dev-python/black[${PYTHON_USEDEP}] )
	development? ( dev-python/isort[${PYTHON_USEDEP}] )
	development? ( dev-python/tox[${PYTHON_USEDEP}] )
	openbabel? ( dev-python/openbabel-wheel[${PYTHON_USEDEP}] )
	openbabel? ( dev-python/periodictable[${PYTHON_USEDEP}] )
	rdkit? ( dev-python/rdkit-pypi[${PYTHON_USEDEP}] )"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"