# 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="IPython widget to interactively view molecular structures and trajectories."

HOMEPAGE="https://github.com/arose/nglview"
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="ase htmd mdanalysis mdtraj parmed pytraj qcelemental rdkit simpletraj"
DEPENDENCIES=">=dev-python/ipywidgets-8.0[${PYTHON_USEDEP}]
	>=dev-python/notebook-7.0[${PYTHON_USEDEP}]
	>=dev-python/jupyterlab-3.0[${PYTHON_USEDEP}]
	dev-python/jupyterlab-widgets[${PYTHON_USEDEP}]
	<dev-python/numpy-2.3[${PYTHON_USEDEP}]
	simpletraj? ( dev-python/simpletraj[${PYTHON_USEDEP}] )
	mdtraj? ( dev-python/mdtraj[${PYTHON_USEDEP}] )
	pytraj? ( dev-python/pytraj[${PYTHON_USEDEP}] )
	mdanalysis? ( dev-python/MDAnalysis[${PYTHON_USEDEP}] )
	parmed? ( dev-python/ParmEd[${PYTHON_USEDEP}] )
	rdkit? ( dev-python/rdkit[${PYTHON_USEDEP}] )
	ase? ( dev-python/ase[${PYTHON_USEDEP}] )
	htmd? ( dev-python/htmd[${PYTHON_USEDEP}] )
	qcelemental? ( dev-python/qcelemental[${PYTHON_USEDEP}] )"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"