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Removing QE dependencies and tutorials #325

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Removing QE dependencies and tutorials #325

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agoscinski
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This is for testing the running time on RTD without qe to see if it is really such a significant factor.

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codecov-commenter commented Sep 19, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 80.79%. Comparing base (5937b88) to head (4896aff).
Report is 77 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #325      +/-   ##
==========================================
+ Coverage   75.75%   80.79%   +5.03%     
==========================================
  Files          70       66       -4     
  Lines        4615     5133     +518     
==========================================
+ Hits         3496     4147     +651     
+ Misses       1119      986     -133     
Flag Coverage Δ
python-3.11 80.69% <ø> (+5.02%) ⬆️
python-3.12 80.71% <ø> (?)
python-3.9 80.72% <ø> (+4.99%) ⬆️

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@agoscinski
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Drastic reduction 576s -> 344s

@agoscinski agoscinski changed the title Removing QE dependencies Removing QE dependencies and tutorials Sep 19, 2024
@superstar54
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Thanks for the test, then we can revert them to normal notebooks, and run them locally. We also create another section, or use the Gallery section to hold all the real-world use cases.

@agoscinski
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Thanks for the test, then we can revert them to normal notebooks, and run them locally. We also create another section, or use the Gallery section to hold all the real-world use cases.

For a gallery we would need to refactor them. They are a bit convoluted with introducing concepts and presenting use cases. Probably it would be better if they link to the corresponding howtos/concepts. If feel like zero to hero does not contain anything which is not already covered in the doc. I would try to merge it with quick start. So I only see the two use cases N2 energy computation and EOS. There is also the Use protocol to set input parameters (Experimental) part that I cannot pin down where to put.

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3 participants