aiidalab-launch 2022.1010

Tool to launch AiiDAlab on a local workstation.

AiiDAlab Launch

AiiDAlab Launch makes it easy to run AiiDAlab on your own workstation or laptop.

Getting Started

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.

Forward AiiDAlab from a remote server via SSH

Please see here for instructions on how to run AiiDAlab on a remote machine and then forward it to your local terminal.

Authors

• Carl Simon Adorf (EPFL) - @csadorf

See also the list of contributors.

Citation

Users of AiiDAlab are kindly asked to cite the following publication in their own work:

A. V. Yakutovich et al., Comp. Mat. Sci. 188, 110165 (2021). DOI:10.1016/j.commatsci.2020.110165

Contact

[e-mail]

For maintainers

To create a new release, clone the repository, install development dependencies with pip install -e '.[dev]', and then execute bumpver update. This will:

1. Create a tagged release with bumped version and push it to the repository.
2. Trigger a GitHub actions workflow that creates a GitHub release and publishes it on PyPI.

Additional notes:

• Use the --dry option to preview the release change.
• The release tag (e.g. a/b/rc) is determined from the last release. Use the --tag option to switch the release tag.

MIT License

Copyright (c) 2021 Carl Simon Adorf (EPFL)

All rights reserved.

Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

Acknowledgements

This work is supported by the MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation, the MARKETPLACE project funded by Horizon 2020 under the H2020-NMBP-25-2017 call (Grant No. 760173), as well as by the MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598.