# automatically generated by g-sorcery
# please do not edit this file

EAPI=8

REALNAME="${PN}"
LITERALNAME="${PN}"
REALVERSION="3.1.1.post1"
DIGEST_SOURCES="yes"
PYTHON_COMPAT=( python{3_11,3_12,3_13,3_14} )
DISTUTILS_USE_PEP517=standalone

inherit python-r1 gs-pypi

DESCRIPTION="Binding Free Energy Estimator 2"

HOMEPAGE="https://github.com/fhh2626/BFEE2"
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/setuptools[${PYTHON_USEDEP}]
	dev-python/pyside6[${PYTHON_USEDEP}]
	dev-python/appdirs[${PYTHON_USEDEP}]
	dev-python/MDAnalysis[${PYTHON_USEDEP}]
	dev-python/matplotlib[${PYTHON_USEDEP}]
	<dev-python/numpy-2.3[${PYTHON_USEDEP}]
	dev-python/scipy[${PYTHON_USEDEP}]
	dev-python/ParmEd[${PYTHON_USEDEP}]
	dev-python/requests[${PYTHON_USEDEP}]"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"