# 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} )
DISTUTILS_USE_PEP517=standalone

inherit python-r1 gs-pypi

DESCRIPTION="A compute wrapper for Quantum Chemistry."

HOMEPAGE="https://github.com/MolSSI/QCEngine"
LICENSE="BSD-3C"
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="docs lint tests"
DEPENDENCIES="dev-python/pyyaml[${PYTHON_USEDEP}]
	dev-python/py-cpuinfo[${PYTHON_USEDEP}]
	dev-python/psutil[${PYTHON_USEDEP}]
	dev-python/qcelemental[${PYTHON_USEDEP}]
	>=dev-python/pydantic-1.8.2[${PYTHON_USEDEP}]
	dev-python/packaging[${PYTHON_USEDEP}]
	docs? ( ~dev-python/sphinx-1.2.3[${PYTHON_USEDEP}] )
	docs? ( dev-python/sphinxcontrib-napoleon[${PYTHON_USEDEP}] )
	docs? ( dev-python/sphinx-rtd-theme[${PYTHON_USEDEP}] )
	docs? ( dev-python/numpydoc[${PYTHON_USEDEP}] )
	tests? ( dev-python/pytest[${PYTHON_USEDEP}] )
	tests? ( dev-python/pytest-cov[${PYTHON_USEDEP}] )
	lint? ( <dev-python/black-23.0_alpha0[${PYTHON_USEDEP}] )"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"