Gentoo Packages

# 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="Systematically generate structures of two molecules based on discretisation of translational and rotational space."

HOMEPAGE="https://www.bcp.fu-berlin.de/en/chemie/chemie/forschung/PhysTheoChem/agkeller/index.html"
LICENSE="LICENSE"
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/matplotlib-4.0.0[${PYTHON_USEDEP}]
	<dev-python/numpy-2.0[${PYTHON_USEDEP}]
	<dev-python/networkx-4.0.0[${PYTHON_USEDEP}]
	dev-python/MDAnalysis[${PYTHON_USEDEP}]
	<dev-python/scipy-2.0.0[${PYTHON_USEDEP}]
	<dev-python/pandas-3.0.0[${PYTHON_USEDEP}]
	<dev-python/seaborn-0.14.0[${PYTHON_USEDEP}]
	<dev-python/tqdm-5.0.0[${PYTHON_USEDEP}]
	~dev-python/plotly-5.3.1[${PYTHON_USEDEP}]
	dev-python/kaleido[${PYTHON_USEDEP}]"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"