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Enable CCD update from installed package #716

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merged 5 commits into from
Dec 20, 2024

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davegrays
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currently the setup_ccd.py script has to be run from a clone of the repo. this creates a command-line utility to run the ccd update directly from the pip installed package itself. i think this simplifies dependency management for downstream projects quite a bit

@padix-key
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This sound indeed like a good idea, I have not thought about, yet. From my perspective the most important point is, that it cleans up the install-setup-install dance required now. I will give it a few days to think about possible caveats, we might have missed. But otherwise I think this should definitely go into the upcoming release.

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@padix-key padix-key changed the title feat: enable ccd updates from pip package Enable CCD update from installed package Dec 13, 2024
@padix-key
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If you have no objections I could also finalize this PR, including the small adjustments required in the CI.

@davegrays
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davegrays commented Dec 14, 2024

that would be teriffic @padix-key ! yes please make the adjustments as needed

FYI I went ahead and made the changes you suggested but the install readme could probably be amended further for clarity

@davegrays
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@padix-key btw, any idea when you might want to cut a new release?

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padix-key commented Dec 19, 2024

I plan the next release before the end of the year, maybe already this weekend 😃 .

@padix-key padix-key force-pushed the feat/allow-ccd-updates branch from 36310e5 to 7e92135 Compare December 20, 2024 10:09
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codspeed-hq bot commented Dec 20, 2024

CodSpeed Performance Report

Merging #716 will not alter performance

Comparing davegrays:feat/allow-ccd-updates (41f1037) with main (ff5c2e8)

Summary

✅ 47 untouched benchmarks

@padix-key padix-key force-pushed the feat/allow-ccd-updates branch from 584a079 to 41f1037 Compare December 20, 2024 11:58
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I added the remaining necessary changes. Thanks again!

@padix-key padix-key merged commit 2765f4b into biotite-dev:main Dec 20, 2024
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2 participants