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Wikipedia: update the ECCE article and links from related articles

Abierto
  • ¿Algo no está bien?
#251 0 comentarios 0 reacciones 0 asignados Ver en GitHub

Nadie ha tomado este issue todavía.

Evaluación

Dificultad
3/5
Tiempo estimado
1-2 días
Aptitud para principiantes
25/100
Tipo de issue
Documentación
Claridad
Bastante claro
Estado de actividad
Activo
Área
content, documentation

Línea de trabajo

The work happens on English Wikipedia, not in this repository: the ECCE, ORCA, MOPAC, molecular graphics, molecule editor and computational chemistry template pages. Start with the Wikipedia conflict-of-interest guidance and the existing Talk pages before proposing any {{Edit COI}} request. Use this repository's GitHub releases for version, date, licence and platform facts. Done means each unchecked item is either proposed on the right Talk page or applied by an uninvolved editor.

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

Descripción

The English Wikipedia article Extensible Computational Chemistry Environment describes ECCE as of version 7.0 (2013). Its website link (ecce.emsl.pnl.gov) is dead, and it lists only NWChem, GAMESS-UK and Gaussian 03/98. Related articles link to ECCE inconsistently.

Because maintainers have a conflict of interest, changes are proposed on the articles' Talk pages with {{Edit COI}} rather than made directly (WP:COI). Uninvolved editors apply them.

Requests (checked 2026-10-09)

  • ECCE article.
    • Infobox:
      • developer PNNL to 2013, FriendsofECCE since 2017;
      • current stable and preview releases;
      • repository link instead of the dead website;
      • macOS and Windows clients in preview.
    • A short "Later development" paragraph.
    • The supported codes.
  • ORCA, "Graphic interfaces": add ECCE.
  • MOPAC, "Functionality": a sentence naming ECCE as an open-source interface.
  • List of molecular graphics systems: a row for ECCE.
  • Molecule editor, 3D standalone programs: a row for ECCE.
  • Template:Computational chemistry software: move ECCE from "Cheminformatics" to "Molecular modelling, visualization".
  • Already fine: NWChem lists ECCE under "Graphical shells".
  • Later: Quantum ESPRESSO and Gaussian (no GUI section yet); GROMACS and CP2K (once ECCE's support is no longer experimental).

Sources

At present only the project's own pages (GitHub releases). That is enough for versions, dates, licence, platforms and supported codes. A fuller description needs an independent source (a published article). A Zenodo DOI (#250) gives a stable citation for versions and dates.

Upkeep

After each stable release, update the infobox version (or ask for it to be updated).

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.

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