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Support building and publishing to PYPI #1101

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@superstar54 superstar54 commented Jan 16, 2025

This PR allows us to build and publish the app into PYPI, so that the user can install the app by:

pip install aidialab-qe

In order to achieve this, this PR

  • uses relative path for the assets (e.g., log image)
  • creates a QeApp class as the main entry point for the app
  • adds github workflow to publish the app to pypi automatically when a release is made

One can use the app:

from aiidalab_qe.app.main import QeApp
app = QeApp()
app.load()

Note that this does not mean the user can use the app directly in a normal Jupyter notebook with all features, because the app has other pages (calculation history etc.). However, the main calculation app itself is already beneficial for the advanced user who wants to use the app (or its functions) in the Pythonn script.

@superstar54 superstar54 linked an issue Jan 16, 2025 that may be closed by this pull request
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codecov bot commented Jan 16, 2025

Codecov Report

Attention: Patch coverage is 77.09924% with 30 lines in your changes missing coverage. Please review.

Project coverage is 70.94%. Comparing base (891d378) to head (7b2a048).
Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
src/aiidalab_qe/app/main.py 0.00% 27 Missing ⚠️
src/aiidalab_qe/app/wizard_app.py 97.08% 3 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1101      +/-   ##
==========================================
- Coverage   71.21%   70.94%   -0.27%     
==========================================
  Files         114      115       +1     
  Lines        7128     7156      +28     
==========================================
+ Hits         5076     5077       +1     
- Misses       2052     2079      +27     
Flag Coverage Δ
python-3.11 70.93% <77.09%> (-0.28%) ⬇️
python-3.9 70.95% <77.09%> (-0.26%) ⬇️

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@edan-bainglass edan-bainglass left a comment

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Very nice @superstar54. LGTM!

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Use QEApp in a normal Jupyter-lab environment without container
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