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SOF-6720: reformat qe_scf_calculation.ipynb notebook #80

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merged 5 commits into from
Jul 4, 2023

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mrakitin
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@mrakitin mrakitin commented Jul 3, 2023

Small fixes:

  • correct the name of the package which provides pip-compile
  • reformat the qe_scf_calculation.ipynb notebook with black-jupyter

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3. We use post-save hooks to automatically convert notebooks to python scripts. See [config](examples/config.py) file for more information. In order to facilitate code review, we exclude notebook sources from version control and store them in Git LFS [[3](#links)]. Please follow this convention.
3. We use post-save hooks to automatically convert notebooks to python scripts. See [config](examples/config.py) file for more information. In order to facilitate code review, we exclude notebook sources in the `other/` directory from version control and store them in Git LFS [[3](#links)]. Please follow this convention.
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I think we discussed with @timurbazhirov that the Git LFS approach is not used for the notebook .ipynb files in the examples/ directory to facilitate the loading of the notebooks in Google Colab. I added a note about it here that it's applicable to the notebooks in the other/ directory.

@mrakitin mrakitin marked this pull request as ready for review July 4, 2023 13:33
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mrakitin commented Jul 4, 2023

@pranabdas, @timurbazhirov, this is ready for review.

I am still observing Error 500, but it can/should be resolved separately:

---------------------------------------------------------------------------
HTTPError                                 Traceback (most recent call last)
[<ipython-input-5-10fdecc9a4a6>](https://localhost:8080/#) in <cell line: 1>()
----> 1 response = endpoint.create(BODY)

4 frames
[/usr/local/lib/python3.10/dist-packages/requests/models.py](https://localhost:8080/#) in raise_for_status(self)
    958 
    959         if http_error_msg:
--> 960             raise HTTPError(http_error_msg, response=self)
    961 
    962     def close(self):

HTTPError: 500 Server Error: Internal Server Error for url: [https://platform.mat3ra.com:443/api/2018-10-01/workflows/create](https://platform.mat3ra.com/api/2018-10-01/workflows/create)

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OK, let's bring over these updates to the other branch and see here #79

@pranabdas pranabdas merged commit 8f4e880 into feat/SOF-6720-1 Jul 4, 2023
@pranabdas pranabdas deleted the feat/SOF-6720-1-style branch July 4, 2023 14:20
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2 participants