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dev-python/catbench - 1.0.0 (pypi)

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Package Information

Description:
CatBench: Benchmark Framework of Machine Learning Interatomic Potentials for Adsorption Energy Predictions in Heterogeneous Catalysis
Homepage:
https://github.com/JinukMoon/catbench
License:
MIT

Ebuild Details

Version EAPI Keywords Slot
1.0.0 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="CatBench: Benchmark Framework of Machine Learning Interatomic Potentials for Adsorption Energy Predictions in Heterogeneous Catalysis"

HOMEPAGE="https://github.com/JinukMoon/catbench"
LICENSE="MIT"
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="d3"
DEPENDENCIES="dev-python/ase[${PYTHON_USEDEP}]
	>=dev-python/numpy-1.20.0[${PYTHON_USEDEP}]
	>=dev-python/pandas-1.3.0[${PYTHON_USEDEP}]
	>=dev-python/matplotlib-3.4.0[${PYTHON_USEDEP}]
	>=dev-python/requests-2.25.0[${PYTHON_USEDEP}]
	>=dev-python/xlsxwriter-3.2.0[${PYTHON_USEDEP}]
	>=dev-python/pyyaml-5.4.0[${PYTHON_USEDEP}]
	>=dev-python/scipy-1.7.0[${PYTHON_USEDEP}]
	d3? ( dev-python/torch[${PYTHON_USEDEP}] )"
BDEPEND="${DEPENDENCIES}"
RDEPEND="${DEPENDENCIES}"

USE Flags

d3

Dependencies

RDEPEND

dev-python/ase[${PYTHON_USEDEP}]
	>=dev-python/numpy-1.20.0[${PYTHON_USEDEP}]
	>=dev-python/pandas-1.3.0[${PYTHON_USEDEP}]
	>=dev-python/matplotlib-3.4.0[${PYTHON_USEDEP}]
	>=dev-python/requests-2.25.0[${PYTHON_USEDEP}]
	>=dev-python/xlsxwriter-3.2.0[${PYTHON_USEDEP}]
	>=dev-python/pyyaml-5.4.0[${PYTHON_USEDEP}]
	>=dev-python/scipy-1.7.0[${PYTHON_USEDEP}]
	d3? ( dev-python/torch[${PYTHON_USEDEP}] )

BDEPEND

dev-python/ase[${PYTHON_USEDEP}]
	>=dev-python/numpy-1.20.0[${PYTHON_USEDEP}]
	>=dev-python/pandas-1.3.0[${PYTHON_USEDEP}]
	>=dev-python/matplotlib-3.4.0[${PYTHON_USEDEP}]
	>=dev-python/requests-2.25.0[${PYTHON_USEDEP}]
	>=dev-python/xlsxwriter-3.2.0[${PYTHON_USEDEP}]
	>=dev-python/pyyaml-5.4.0[${PYTHON_USEDEP}]
	>=dev-python/scipy-1.7.0[${PYTHON_USEDEP}]
	d3? ( dev-python/torch[${PYTHON_USEDEP}] )

Manifest for 1.0.0

Type File Size Source URLs
DIST catbench-1.0.0.tar.gz 11076009 bytes https://files.pythonhosted.org/packages/source/${REALNAME::1}/catbench/catbench-1.0.0.tar.gz