Hacktoberfest 2026: los issues que los mantenedores marcaron para octubre, abiertos y aptos para principiantes. Explorar issues de Hacktoberfest

Web: view results in a browser; ECCE-QM in the browser (WebAssembly)

Abierto
  • ¿Algo no está bien?
#249 0 comentarios 0 reacciones 0 asignados Ver en GitHub

Nadie ha tomado este issue todavía.

Evaluación

Dificultad
5/5
Tiempo estimado
Más de una semana
Aptitud para principiantes
8/100
Tipo de issue
Nueva funcionalidad
Claridad
Bastante claro
Estado de actividad
Activo
Stack tecnológico
c, cpp, javascript, wasm
Área
backend-api-design, computer-graphics, data-visualization, web-dev

Línea de trabajo

This is a two-part roadmap issue, not a starter task: read the Web section and the linked #133 and #248 for context first. Part 1 concerns a read-only web view fed by the data server over WebDAV, with a viewer such as 3Dmol.js or NGL. Part 2 concerns compiling ECCE-QM with libcint and libxc to WebAssembly. Done would mean a design agreed in the thread, split into smaller issues, rather than a patch against this one.

Escrito por el modelo de indexación a partir del texto del issue.

Descripción

Two web uses, in this order, once the current client work (#133) and ECCE-QM's next steps (#248) are done.

1. Showing results in a web browser

Purpose: bring up a calculation's output during a lecture or a discussion from any computer with a browser, without starting the desktop client.

  • A read-only web view of a user's projects and calculations: name, code, method and basis, state, total energy, and the input and output files.
  • Structure, orbitals and vibrational modes drawn with a JavaScript viewer such as 3Dmol.js or NGL, from the files ECCE already stores (Molden and cube files, the geometry trace).
  • Data comes from the data server, which already serves projects and calculations over HTTP (WebDAV). Login uses the data server's accounts. Read-only, so the desktop client stays the only writer.
  • Works for the central server first. For a laptop in local mode, a "share/export as a web page" of one calculation (a static HTML file) may be enough for a lecture.

2. ECCE-QM in the browser

Purpose: let students run small calculations with nothing installed.

  • Compile ECCE-QM with libcint and libxc to WebAssembly. All three are C/C++ with no system dependencies; check threads (WASM threads need cross-origin isolation) and memory (browser limits) against the size limits from #248.
  • A page to pick or draw a small molecule, choose a method and basis from ECCE-QM's lists, run in the browser, and show energies, orbitals and, when #248 has them, optimised geometry and spectra. It reuses the viewer from part 1.
  • Export of the input and results in a form the desktop ECCE can open.
  • Static hosting, with no server-side computation.

Not planned

Setting up and submitting calculations for arbitrary codes from the web. It would need a web version of the Calculation Editor and the job launch logic, which is a different program.

To decide later

  • Following jobs live in the browser, through Mosquitto's WebSocket listener, with the same per-user topics as the desktop client.
Lenguaje dominante
C
Estrellas
10
Forks
8
Merge medio
21 min
PR fusionados (30 d)
1

Preparar el entorno

Este proyecto no incluye contenedor de desarrollo, Dockerfile ni guía de contribución, así que la configuración corre por tu cuenta: empieza por su README y consulta nuestra guía para la primera contribución para los pasos generales.

Primeros pasos

  1. Lee el issue completo y luego la guía de contribución del proyecto.
  2. Comenta en el issue que vas a ocuparte — evita que dos personas hagan lo mismo.
  3. Haz un fork del repositorio y trabaja en una rama.
  4. Abre un pull request que haga referencia al número del issue.

Más de FriendsofECCE/ECCE

Todos los issues de FriendsofECCE/ECCE

Issues similares

Más issues de C

Recibe los nuevos issues en tu correo

Un resumen breve de issues de GitHub para principiantes.