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sci-physics/ase - 3.29.0 (phackerlay)

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Install

Install this version:

emerge -a =sci-physics/ase-3.29.0

If this version is masked, you can unmask it using the autounmask tool or standard emerge options:

autounmask =sci-physics/ase-3.29.0

Or alternatively:

emerge --autounmask-write -a =sci-physics/ase-3.29.0

Package Information

Description:
A set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations
Homepage:
https://wiki.fysik.dtu.dk/ase/ https://pypi.org/project/ase/
License:
GPL-3

Ebuild Details

Version EAPI Keywords Slot
3.29.0 8 ~amd64 0
View Raw Ebuild 
# Copyright 1999-2025 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2

EAPI=8

DISTUTILS_USE_PEP517=setuptools
PYTHON_COMPAT=( python3_{12..14} )

inherit distutils-r1

DESCRIPTION="A set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations"
HOMEPAGE="https://wiki.fysik.dtu.dk/ase/ https://pypi.org/project/ase/"
SRC_URI="https://pypi.org/packages/source/a/ase/ase-${PV}.tar.gz -> ${P}.tar.gz"

LICENSE="GPL-3"
SLOT="0"
KEYWORDS="~amd64"

IUSE="+visualize"

PYTHON_REQ_USE="visualize? (tk)"

RDEPEND="
	>=dev-python/scipy-1.8.1[${PYTHON_USEDEP}]
	>=dev-python/numpy-1.21.6[${PYTHON_USEDEP}]
	visualize? ( >=dev-python/matplotlib-3.5.2[${PYTHON_USEDEP}] )
	"

distutils_enable_tests pytest

USE Flags

Manage flags for this package: euse -i <flag> -p sci-physics/ase | euse -E <flag> -p sci-physics/ase | euse -D <flag> -p sci-physics/ase

Global/Standard Flags

visualize
❓ Default: Enabled (+)

Inherited Eclasses

distutils-r1

Dependencies

RDEPEND

	>=dev-python/scipy-1.8.1[]
	>=dev-python/numpy-1.21.6[]
	visualize? ( >=dev-python/matplotlib-3.5.2[] )

Manifest for 3.29.0

Type File Size Source URLs
DIST ase-3.29.0.tar.gz 2466051 bytes https://pypi.org/packages/source/a/ase/ase-3.29.0.tar.gz