# 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="auto-qchem"

HOMEPAGE="https://github.com/doyle-lab-ucla/auto-qchem"
LICENSE="GPL-3"
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=""
DEPENDENCIES=">=dev-python/numpy-1.22[${PYTHON_USEDEP}]
	>=dev-python/pandas-1.3[${PYTHON_USEDEP}]
	>=dev-python/pyyaml-6.0[${PYTHON_USEDEP}]
	>=dev-python/scipy-1.7[${PYTHON_USEDEP}]
	dev-python/fabric[${PYTHON_USEDEP}]
	>=dev-python/paramiko-3.1[${PYTHON_USEDEP}]
	>=dev-python/pymongo-3.10[${PYTHON_USEDEP}]
	>=dev-python/appdirs-1.4[${PYTHON_USEDEP}]
	>=dev-python/ipywidgets-8.0[${PYTHON_USEDEP}]
	dev-python/py3Dmol[${PYTHON_USEDEP}]
	>=dev-python/jupyterlab-3.4[${PYTHON_USEDEP}]
	>=dev-python/notebook-6.4[${PYTHON_USEDEP}]
	>=dev-python/ipywidgets-8.0[${PYTHON_USEDEP}]
	>=dev-python/xlrd-2.0[${PYTHON_USEDEP}]
	>=dev-python/openpyxl-3.0[${PYTHON_USEDEP}]
	dev-python/rdkit[${PYTHON_USEDEP}]
	dev-python/tqdm[${PYTHON_USEDEP}]
	>=dev-python/matplotlib-3.5[${PYTHON_USEDEP}]"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"