Dockerfile: Add --no-user to pip install

[danielhollas]

This is an important fix for the Docker build since version v2024.1017 of the aiidalab full-stack image, which added the --user argument to pip install by default.

@superstar54 it seems that the aiidalab_qe app dependencies were being installed in ~/.local instead of /opt/conda. This may have influenced your testing of your tared-home image, as it would blow up the home size.

CC @unkcpz

NOTE: As an alternative to this PR you can merge #761 and use uv instead of pip which speeds up the docker build by 1 minute.

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 68.28%. Comparing base (e2d3d93) to head (11c4c26).
Report is 40 commits behind head on main.

Additional details and impacted files

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##             main     #762   +/-   ##
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  Coverage   68.28%   68.28%           
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  Files          45       45           
  Lines        4143     4143           
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  Hits         2829     2829           
  Misses       1314     1314           

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python-3.10	68.28% <ø> (ø)
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[unkcpz]

I think if we go with the zip and decompress solution, the time won't influenced by where it installed.

This may have influenced your testing of your tared-home image, as it would blow up the home size.

But this is true! @superstar54 can you add the change to your PR and check the image size change?

As an alternative to this PR you can merge #761 and use uv instead of pip which speeds up the docker build by 1 minute.

If we go with prepare a ready to use home and decompress it for user, we don't need pre-install the dependencies, true? Then I think it is better to install things as what will exactly happened as aiidalab-launch install.

[superstar54]

Hi @danielhollas , thanks for the PR.

it seems that the aiidalab_qe app dependencies were being installed in ~/.local instead of /opt/conda.

Could you give more details on why it is?

[danielhollas]

@superstar54 please have a look at this PR aiidalab/aiidalab-docker-stack#437

It essentially changed the pip default -- when you run pip install in the container, it behaves as if you run pip install --user. So if you don't want that behaviour, you need to specify pip install --no-user. LMK if you need more info.

[danielhollas]

If we go with prepare a ready to use home and decompress it for user, we don't need pre-install the dependencies, true? Then I think it is better to install things as what will exactly happened as aiidalab-launch install.

Yeah, you don't need to, though I guess it still helps a bit since it will make home much smaller, and hence untar/decompress should be faster (and the overall image size smaller as well).

[danielhollas]

Closed in favour of #761