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Base AiiDAlab image on jupyter/base-notebook image and support AiiDA 2.0 #254

Merged
merged 16 commits into from
Aug 25, 2022
Merged

Base AiiDAlab image on jupyter/base-notebook image and support AiiDA 2.0 #254

merged 16 commits into from
Aug 25, 2022

Commits on Aug 8, 2022

  1. Major revision to base the image on the jupyter docker stack. 

    - The PGSQL and RabbitMQ services are expected to started in separate
containers.
- Do not separate the Jupyter and AiiDA Python kernels; use shared
requirements file.
- Use requirements file for environment-wide pinning (conda and pip).
- Supports AiiDA 2.0.

Co-authored-by: Aliaksandr Yakutovich <yakutovicha@gmail.com>
    @csadorf @yakutovicha
    csadorf and yakutovicha committed Aug 8, 2022
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  2. Add black to pre-commit hooks.

    @csadorf
    csadorf committed Aug 8, 2022
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  3. Implement tests.

    @csadorf
    csadorf committed Aug 8, 2022
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Commits on Aug 18, 2022

  1. Refactor into image stack.

    @csadorf
    csadorf committed Aug 18, 2022
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  2. Install aiidalab from conda-forge.

    @csadorf
    csadorf committed Aug 18, 2022
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Commits on Aug 19, 2022

  1. Expose AiiDAlab on host for doit up task. 

    Port is configurable via a command line argument ('-p' / '--port).
    @csadorf
    csadorf committed Aug 19, 2022
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  2. Pin the installed aiidalab version.

    @csadorf
    csadorf committed Aug 19, 2022
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  3. Start home app by default. 

    Using an older jupyter stack version we cannot use the ENV_NOTEBOOK_ARGS
environment variable to configure the startup command.
    @csadorf
    csadorf committed Aug 19, 2022
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  4. Use consistent casing for Docker args.

    @csadorf
    csadorf committed Aug 19, 2022
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  5. Add tests for package pinning and constraints.

    @csadorf
    csadorf committed Aug 19, 2022
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  6. Increase verbosity for 'doit tests'.

    @csadorf
    csadorf committed Aug 19, 2022
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  7. Trigger CI.

    @csadorf
    csadorf committed Aug 19, 2022
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  8. Remove prefix from conda environment file.

    @csadorf
    csadorf committed Aug 19, 2022
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  9. Update stack/base/requirements.txt 

    Co-authored-by: Carl Simon Adorf <simon.adorf@epfl.ch>
    @yakutovicha @csadorf
    yakutovicha and csadorf committed Aug 19, 2022
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Commits on Aug 22, 2022

  1. Trigger build of entire stack on change to any of the images. 

    Example: The lab image should be rebuilt when the base image is
changed. No need to further declare depencies since the process is
already optimized through docker layer caching.
    @csadorf
    csadorf committed Aug 22, 2022
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  2. Move ssh configuration into base image. 

    And install the ssh-singleagent.sh script.
    @csadorf
    csadorf committed Aug 22, 2022
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