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dev-python/megnet - 1.3.2 (pypi)

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Package Information

Description:
MatErials Graph Networks for machine learning of molecules and crystals.
License:
BSD

Ebuild Details

Version EAPI Keywords Slot
1.3.2 8 ~amd64 ~x86 0
View Raw Ebuild 
# 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="MatErials Graph Networks for machine learning of molecules and crystals."

HOMEPAGE=""
LICENSE="BSD"
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="model_saving molecules tensorflow tensorflow_with_gpu"
DEPENDENCIES="dev-python/numpy[${PYTHON_USEDEP}]
	dev-python/scikit-learn[${PYTHON_USEDEP}]
	dev-python/pymatgen[${PYTHON_USEDEP}]
	dev-python/monty[${PYTHON_USEDEP}]
	dev-python/tqdm[${PYTHON_USEDEP}]
	model_saving? ( dev-python/h5py[${PYTHON_USEDEP}] )
	molecules? ( dev-python/openbabel[${PYTHON_USEDEP}] )
	molecules? ( dev-python/rdkit[${PYTHON_USEDEP}] )
	tensorflow? ( dev-python/tensorflow[${PYTHON_USEDEP}] )
	tensorflow_with_gpu? ( dev-python/tensorflow-gpu[${PYTHON_USEDEP}] )"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"

USE Flags

model_saving
molecules
tensorflow
tensorflow_with_gpu

Dependencies

RDEPEND

dev-python/numpy[${PYTHON_USEDEP}]
	dev-python/scikit-learn[${PYTHON_USEDEP}]
	dev-python/pymatgen[${PYTHON_USEDEP}]
	dev-python/monty[${PYTHON_USEDEP}]
	dev-python/tqdm[${PYTHON_USEDEP}]
	model_saving? ( dev-python/h5py[${PYTHON_USEDEP}] )
	molecules? ( dev-python/openbabel[${PYTHON_USEDEP}] )
	molecules? ( dev-python/rdkit[${PYTHON_USEDEP}] )
	tensorflow? ( dev-python/tensorflow[${PYTHON_USEDEP}] )
	tensorflow_with_gpu? ( dev-python/tensorflow-gpu[${PYTHON_USEDEP}] )

BDEPEND

dev-python/numpy[${PYTHON_USEDEP}]
	dev-python/scikit-learn[${PYTHON_USEDEP}]
	dev-python/pymatgen[${PYTHON_USEDEP}]
	dev-python/monty[${PYTHON_USEDEP}]
	dev-python/tqdm[${PYTHON_USEDEP}]
	model_saving? ( dev-python/h5py[${PYTHON_USEDEP}] )
	molecules? ( dev-python/openbabel[${PYTHON_USEDEP}] )
	molecules? ( dev-python/rdkit[${PYTHON_USEDEP}] )
	tensorflow? ( dev-python/tensorflow[${PYTHON_USEDEP}] )
	tensorflow_with_gpu? ( dev-python/tensorflow-gpu[${PYTHON_USEDEP}] )

Manifest for 1.3.2

Type File Size Source URLs
DIST megnet-1.3.2.tar.gz 30264908 bytes https://files.pythonhosted.org/packages/source/${REALNAME::1}/megnet/megnet-1.3.2.tar.gz