# 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} )
DISTUTILS_USE_PEP517=standalone

inherit python-r1 gs-pypi

DESCRIPTION="A Python package enhancing VASP AIMD simulation"

HOMEPAGE="https://xdatbus.readthedocs.io/en/latest/"
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="dash meta"
DEPENDENCIES="dev-python/ase[${PYTHON_USEDEP}]
	meta? ( dev-python/bpy[${PYTHON_USEDEP}] )
	dash? ( dev-python/dash[${PYTHON_USEDEP}] )
	dev-python/MDAnalysis[${PYTHON_USEDEP}]
	dev-python/numpy[${PYTHON_USEDEP}]
	meta? ( dev-python/ovito[${PYTHON_USEDEP}] )
	dev-python/pandas[${PYTHON_USEDEP}]
	dash? ( ~dev-python/plotly-6.0.0[${PYTHON_USEDEP}] )
	dev-python/pyarrow[${PYTHON_USEDEP}]
	dev-python/pymatgen[${PYTHON_USEDEP}]
	meta? ( ~dev-python/pyyaml-6.0.2[${PYTHON_USEDEP}] )
	meta? ( dev-python/rdkit[${PYTHON_USEDEP}] )
	dev-python/rich[${PYTHON_USEDEP}]
	dev-python/statsmodels[${PYTHON_USEDEP}]"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"