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gnu: Add python-asap3@3.13.7.

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* gnu/packages/python-science.scm (python-asap3): New variable.

Change-Id: Idea83eaf0475f14aa2ea443c81463ab8279694b6
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Danny Milosavljevic 2025-05-25 21:25:30 +02:00
parent 1e9def3dac
commit 27b615acbe
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gnu/packages/python-science.scm
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@ -4865,6 +4865,26 @@ neuronal models")
setting up, manipulating, running, visualizing and analyzing atomistic setting up, manipulating, running, visualizing and analyzing atomistic
simulations.") simulations.")
(license license:lgpl2.1+))) (license license:lgpl2.1+)))
(define-public python-asap3
(package
(name "python-asap3")
(version "3.13.7")
(source
(origin
(method url-fetch)
(uri (pypi-uri "asap3" version))
(sha256
(base32 "0z6m9ybiy4fdnzlkfkvyxich18iwlwlgj1jd99fylyfwf8l160am"))))
(build-system pyproject-build-system)
(propagated-inputs (list python-ase))
(native-inputs (list python-setuptools python-wheel which))
(home-page "https://wiki.fysik.dtu.dk/asap")
(synopsis "ASAP - classical potentials for Molecular Dynamics with ASE.")
(description "This package provides accelerated simulations and potentials
of solids.")
(license license:lgpl3)))
(define-public snakemake (define-public snakemake
(package (package
(name "snakemake") (name "snakemake")