diff options
| author | Leo Orveillon <leo.orveillon@univ-grenoble-alpes.fr> | 2026-07-27 17:46:44 +0200 |
|---|---|---|
| committer | Ghislain Vaillant <ghislain.vaillant@inria.fr> | 2026-07-29 17:48:37 +0200 |
| commit | e8313f658d1722262e2d787f6dca4dde53b02a6c (patch) | |
| tree | 3b865f3d17b3d352979d624dcef20652ce4a040b | |
| parent | 9be4aa54418c85de00190686b4c885b2bd010ed6 (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.scm | 26 |
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, | |||
| 371 | Python/Numpy, Python/Tensorflow).") | 371 | Python/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 | ||
| 395 | quick inspection of geometries, trajectories, orbitals and normal modes directly | ||
| 396 | in the terminal using Unicode characters. Ideal for remote SSH sessions and | ||
| 397 | lightweight analyses.") | ||
| 398 | (license license:expat))) | ||
| 399 | |||
| 374 | (define-public plumed | 400 | (define-public plumed |
| 375 | (package | 401 | (package |
| 376 | (name "plumed") | 402 | (name "plumed") |
