Helper script to launch AiiDAlab on a local workstation.
Project description
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
-
Install AiiDAlab launch and start AiiDAlab with
pip install aiidalab-launch aiidalab-launch start
-
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
In some cases you might want to run AiiDAlab on a remote server with SSH access and open it in the browser of your local computer. This can be easily achieved by creating a SSH tunnel between the remote and the local machine.
- Follow the instructions above to launch AiiDAlab on the remote machine, e.g.,
aiidalab-launch start --no-browser
We use the--no-browser
option since we do not intend to open AiiDAlab in the browser on the remote machine. - Wait for AiiDAlab to start and inspect the URL which will look something like this: http://localhost:8888/?token=74647d5fe0...
- Determine the port on which the AiiDAlab instance is accessible, in this case it is: 8888.
- Forward port 8888 via SSH to your local machine with a command similar to this:
ssh user@my-server.org -L 8888:localhost:8888
Please make sure to replace the server username and address with the one applicable to you remote machine. - You can now open AiiDAlab in the browser of your local machine directly via the URL from above.
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
For maintainers
To create a new release, clone the repository, and then execute bumpver update
, this will:
- Create a tagged release with bumped version and push it to the repository.
- 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.
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