# 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="Deep learning similarity measure for comparing MS/MS spectra."

HOMEPAGE="https://github.com/iomega/ms2deepscore"
LICENSE="Apache Software License 2.0"
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="dev train"
DEPENDENCIES="dev-python/matchms[${PYTHON_USEDEP}]
	dev-python/numba[${PYTHON_USEDEP}]
	>=dev-python/numpy-2.0[${PYTHON_USEDEP}]
	dev-python/pandas[${PYTHON_USEDEP}]
	dev-python/scikit-learn[${PYTHON_USEDEP}]
	dev-python/tensorboard[${PYTHON_USEDEP}]
	dev-python/torch[${PYTHON_USEDEP}]
	dev-python/tqdm[${PYTHON_USEDEP}]
	>=dev-python/matplotlib-3.8.3[${PYTHON_USEDEP}]
	train? ( dev-python/rdkit[${PYTHON_USEDEP}] )
	dev? ( dev-python/bump2version[${PYTHON_USEDEP}] )
	dev? ( >=dev-python/isort-4.2.5[${PYTHON_USEDEP}] )
	dev? ( dev-python/ruff[${PYTHON_USEDEP}] )
	dev? ( dev-python/pytest[${PYTHON_USEDEP}] )
	dev? ( dev-python/pytest-cov[${PYTHON_USEDEP}] )
	dev? ( <dev-python/sphinx-4.0.0[${PYTHON_USEDEP}] )
	dev? ( dev-python/sphinx-rtd-theme[${PYTHON_USEDEP}] )
	dev? ( dev-python/sphinxcontrib-apidoc[${PYTHON_USEDEP}] )
	dev? ( dev-python/yapf[${PYTHON_USEDEP}] )"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"