# 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="Python code for generation of crystal structures based on symmetry constraints."

HOMEPAGE="https://github.com/MaterSim/PyXtal"
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="descriptor molecules test visualization"
DEPENDENCIES="dev-python/spglib[${PYTHON_USEDEP}]
	dev-python/pymatgen[${PYTHON_USEDEP}]
	>=dev-python/pandas-2.0.2[${PYTHON_USEDEP}]
	>=dev-python/networkx-2.3[${PYTHON_USEDEP}]
	dev-python/ase[${PYTHON_USEDEP}]
	>=dev-python/scipy-1.7.3[${PYTHON_USEDEP}]
	dev-python/vasprun-xml[${PYTHON_USEDEP}]
	>=dev-python/importlib-metadata-1.4[${PYTHON_USEDEP}]
	>=dev-python/typing-extensions-4.12[${PYTHON_USEDEP}]
	dev-python/pyocse[${PYTHON_USEDEP}]
	dev-python/psutil[${PYTHON_USEDEP}]
	visualization? ( dev-python/py3Dmol[${PYTHON_USEDEP}] )
	descriptor? ( dev-python/pyshtools[${PYTHON_USEDEP}] )
	molecules? ( dev-python/openbabel[${PYTHON_USEDEP}] )
	molecules? ( dev-python/pybel[${PYTHON_USEDEP}] )
	test? ( dev-python/wheel[${PYTHON_USEDEP}] )
	test? ( dev-python/pytest[${PYTHON_USEDEP}] )
	test? ( dev-python/coverage[${PYTHON_USEDEP}] )
	test? ( dev-python/pytest-cov[${PYTHON_USEDEP}] )
	test? ( dev-python/monty[${PYTHON_USEDEP}] )"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"