diff options
Diffstat (limited to 'gnu/packages/python-science.scm')
| -rw-r--r-- | gnu/packages/python-science.scm | 20 |
1 files changed, 20 insertions, 0 deletions
diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm index 5d4874671a..7792e51e30 100644 --- a/gnu/packages/python-science.scm +++ b/gnu/packages/python-science.scm @@ -4865,6 +4865,26 @@ neuronal models") setting up, manipulating, running, visualizing and analyzing atomistic simulations.") (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 (package (name "snakemake") |