summaryrefslogtreecommitdiff
diff options
context:
space:
mode:
authorLeo Orveillon <leo.orveillon@univ-grenoble-alpes.fr>2026-07-27 17:46:44 +0200
committerGhislain Vaillant <ghislain.vaillant@inria.fr>2026-07-29 17:48:37 +0200
commite8313f658d1722262e2d787f6dca4dde53b02a6c (patch)
tree3b865f3d17b3d352979d624dcef20652ce4a040b
parent9be4aa54418c85de00190686b4c885b2bd010ed6 (diff)
chemistry: Add moltui.
* guix-science/packages/chemistry.scm (moltui): New variable. Co-Authored-By: Ghislain Vaillant <ghislain.vaillant@inria.fr>
-rw-r--r--guix-science/packages/chemistry.scm26
1 files changed, 26 insertions, 0 deletions
diff --git a/guix-science/packages/chemistry.scm b/guix-science/packages/chemistry.scm
index effea5c..30b4294 100644
--- a/guix-science/packages/chemistry.scm
+++ b/guix-science/packages/chemistry.scm
@@ -371,6 +371,32 @@ programming languages and frameworks (Fortran, C, Python C bindings,
371Python/Numpy, Python/Tensorflow).") 371Python/Numpy, Python/Tensorflow).")
372 (license license:mpl2.0))) 372 (license license:mpl2.0)))
373 373
374(define-public moltui
375 (package
376 (name "moltui")
377 (version "0.6.1")
378 (source
379 (origin
380 (method git-fetch)
381 (uri (git-reference
382 (url "https://github.com/kszenes/moltui")
383 (commit (string-append "v" version))))
384 (file-name (git-file-name name version))
385 (sha256
386 (base32 "1ldva8lxwj3mjzgn3i6sa881h3f3d8cq3maxam4zds6lrrg5z7m0"))))
387 (build-system pyproject-build-system)
388 (inputs (list python-numpy python-scikit-image python-textual))
389 (native-inputs (list python-hatch-vcs python-hatchling python-pytest
390 python-pytest-asyncio))
391 (home-page "https://github.com/kszenes/moltui")
392 (synopsis "Terminal molecular viewer based on unicode")
393 (description
394 "MolTUI is a terminal molecular and crystallographic viewer designed for
395quick inspection of geometries, trajectories, orbitals and normal modes directly
396in the terminal using Unicode characters. Ideal for remote SSH sessions and
397lightweight analyses.")
398 (license license:expat)))
399
374(define-public plumed 400(define-public plumed
375 (package 401 (package
376 (name "plumed") 402 (name "plumed")