User guide

Access AiiDAlab

As a user, you have three options to access AiiDAlab:

  1. Log into one of the open AiiDAlab servers.

  2. Download the Quantum Mobile Virtual Machine, open a terminal and run aiidalab.

  3. Run the AiiDAlab docker container on your local machine (see below).

Run AiiDAlab locally

To run AiiDAlab on your own workstation or laptop you can either

  • run the image directly with: `docker run aiidalab-docker-stack -p 8888:8888`, or

  • (recommended) use the aiidalab-launch tool which is a thin docker wrapper.

AiiDAlab Launch

To use AiiDAlab launch you will have to

  1. Install Docker on your workstation or laptop.

  2. Install AiiDAlab launch with pipx (recommended):

    pipx install aiidalab-launch
    

    Or directly with pip (pip install aiidalab-launch).

  3. Start AiiDAlab with

    aiidalab-launch start
    
  4. Follow the instructions on screen to open AiiDAlab in the browser.

See aiidalab-launch --help for detailed help.

Instance Management

You can inspect the status of all configured AiiDAlab profiles with:

aiidalab-launch status
Profile Management

The tool allows to manage multiple profiles, e.g., with different home directories or ports. See aiidalab-launch profiles --help for more information.

AiiDAlab Home page

When opening AiiDAlab you see a list of installed applications. The front page is generated by the AiiDAlab home app which cannot be uninstalled. Its main features are:

  • File manager: manage files stored in the AiiDAlab home folder (including download/upload).

  • Terminal: a standard Linux bash terminal.

  • Tasks: view the currently running applications and stop them, if needed.

  • App Store: install/remove applications.

  • Help: links to the AiiDAlab documentation.

Install/update/delete an app

[Related issue: #152]