Archive Inspect

An AiiDAlab app to import and inspect AiiDA archive files (e.g., from Materials Cloud).

Installation

git clone this repository into the apps folder of your AiiDAlab installation,

git clone https://github.com/aiidalab/aiida-archive-inspect.git

If the app was registered in the future, you can install it directly via the app store in AiiDAlab or on the command line with:

aiidalab install archive-inspect

Usage

Start your AiiDAlab instance, get the port number (replace 8919 with your port if different), and open the following URL in your browser:

http://localhost:8919/apps/apps/aiida-archive-inspect/import_archive.ipynb?file=export_PdTe_11_12_KKR.aiida&record_id=95q28-32338&appmode_scroll=0,

the openapp will open the aiida-archive-inspect app, and download the file, import the data, and show the statistic data. The app provides a button to open a normal Jupyter notebook with the data loaded.

Notebooks

• import_archive.ipynb: Entry point. Creates an ImportArchive widget that downloads the archive from Materials Cloud, imports it into the selected AiiDA profile (with optional migration), and stores the group metadata.
• overview.ipynb: Loads the imported group by group_pk and profile (from the URL), renders a summary table, and links to the detailed view.
• detail.ipynb: Loads the group by group_pk and profile and displays the group object for interactive inspection.
• stored_archives.ipynb: Reads stored_archives.json and shows a table with links to inspect or delete each group.
• delete.ipynb: Deletes the selected group and its nodes and removes the entry from stored_archives.json.

Development notes

• The app expects to run inside AiiDAlab, which provides jupyter_notebook_url in the notebook context.
• The notebooks rely on URL parameters: group_pk, profile, file, and record_id.
• stored_archives.json is the single source of truth for the "Stored Archives" view.

License

MIT

Contact

xingwang1991@gmail.com