https://github.com/aiidateam/aiida-tutorials
AiiDA tutorials web site
https://github.com/aiidateam/aiida-tutorials
Last synced: about 2 months ago
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AiiDA tutorials web site
- Host: GitHub
- URL: https://github.com/aiidateam/aiida-tutorials
- Owner: aiidateam
- Created: 2018-05-28T16:47:11.000Z (about 7 years ago)
- Default Branch: main
- Last Pushed: 2024-09-12T12:38:53.000Z (9 months ago)
- Last Synced: 2025-04-13T04:06:13.703Z (about 2 months ago)
- Language: Shell
- Homepage: http://aiida-tutorials.readthedocs.org
- Size: 101 MB
- Stars: 24
- Watchers: 5
- Forks: 37
- Open Issues: 68
-
Metadata Files:
- Readme: README.md
Awesome Lists containing this project
README
[](https://aiida-tutorials.readthedocs.io/en/latest/?badge=latest)
# AiiDA tutorials
The official place to find materials from AiiDA tutorial events,
interactive demos and videos.
Visit
## Contributing
We highly welcome contributions of
* links to new tutorial materials
* corrections of existing tutorial materials
If you would like to contribute a fix or a link to a new tutorial resource, please:
* Fork this repository
* Make your changes
* Submit a [pull request](https://github.com/aiidateam/aiida-tutorials/pulls)
If you have a question, feel free to just [open an issue](https://github.com/aiidateam/aiida-tutorials/issues/new).
## Building the web site locally
### Prerequisites
* python 3.12 or greater
### Build instructions
```bash
git clone https://github.com/aiidateam/aiida-tutorials.git
cd aiida-tutorials
pip install -r requirements.txt
pre-commit install # enable pre-commit hooks (optional)
cd docs/
make
# open build/html/index.html
```
Note that `make` will run with the nitpick option, treating warnings as errors.
If you are updating the documentation and warnings are expected, run `make html` instead.
This does not use the nitpick exception and will ensure that the documentation compiles despite the warnings.
## Writing and testing interactive content
When writing tutorial content that demonstrates interaction with AiiDA, it may be desirable to write and test this in a reproducible environment.
In the root of this project, the `docker-compose.yml` provides one way to achieve this, by configuring and starting up a Docker container (naturally this requires you to have installed [Docker](https://www.docker.com/)).
The container initialises an AiiDA environment, exposes ports for you to access locally, and mounts the `./docs/pages/` inside the container.
To change what python packages are installed, alter `.docker/aiida-environment.yml`.
Also, if you place an AiiDA archive at `./docs/pages/archive.aiida`, this will be imported on startup.
To start the container and wait for it to initialise:
```console
$ docker-compose up -d --build
$ docker exec aiida-core wait-for-services
```
To enter the container:
```console
$ docker exec -it --user aiida aiida-core /bin/bash
```
To run a verdi command:
```console
$ docker exec -it --user aiida aiida-core /bin/bash -c 'verdi shell'
```
To start a notebook server that you can access locally:
```console
$ docker exec -it --user aiida aiida-core /bin/bash -c "jupyter notebook --port=8888 --ip=0.0.0.0 --no-browser"
```
Then open in your browser.
To start the REST API:
```console
$ docker exec -it --user aiida aiida-core /bin/bash -c "verdi restapi --port 5000 --hostname=0.0.0.0"
```
Then open in your browser.
(TODO this currentl gives error: `172.21.0.1 - - [05/Jul/2020 05:35:45] "GET /api/v4 HTTP/1.1" 404 -`)
Once finished, shut down the container (**NOTE**, this will reset the aiida database):
```console
$ docker-compose down
```
## Acknowledgements
This work is supported by the [MARVEL National Centre for Competency in Research]()
funded by the [Swiss National Science Foundation](), as well as by the [MaX
European Centre of Excellence]() funded by the Horizon 2020 EINFRA-5 program,
Grant No. 676598.
