-
Notifications
You must be signed in to change notification settings - Fork 638
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Fixed NSGrid #3133
Fixed NSGrid #3133
Conversation
Hello @richardjgowers! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:
Comment last updated at 2021-03-07 02:51:00 UTC |
@richardjgowers does this PR supersede #2937? |
@zemanj yes. This is a rebase of that PR onto master instead of develop, so it gets released sooner. If you could review soon that would be great. |
@richardjgowers I went ahead and reverted the temporary removal of nsgrid from test_distances, hopefully that should fix the failures that were happening. |
Codecov Report
@@ Coverage Diff @@
## master #3133 +/- ##
==========================================
- Coverage 90.90% 90.53% -0.37%
==========================================
Files 149 150 +1
Lines 20694 20528 -166
Branches 3194 3188 -6
==========================================
- Hits 18812 18586 -226
- Misses 1248 1318 +70
+ Partials 634 624 -10
Continue to review full report at Codecov.
|
=.= I have no idea why it's now suddenly picking up numpy 1.20... we didn't have these issues up until now. Technically all the failures we are saying should get fixed by #3139, I guess the options here are a) pin CI temporarily, b) merge the code in #3139 into this branch (although it might end up making it really hard to review the changes made here). |
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
I shallowly skimmed the pyx file so have no real comments on that -- I'm going to approve this based on the tests directly addressing NSGrid issues.
@lilyminium It turns out that "shallowly skimming the pyx file" was not a great idea at all. Even though the code is now much nicer than before, I discovered the following problems:
Issues (and PR for the first two points) incoming. |
Thanks for looking into this @zemanj!
I agree. To the remaining @MDAnalysis/coredevs given that tomorrow is meant to be the code freeze for 1.1.0, I propose that we hold off on doing so until everything (at least non-performance related) is fixed for NSGrid. |
Thanks a lot for checking the code and discovering those problems, @zemanj. I shouldn't have reviewed when pressed for time. Although to be honest, I doubt I would have discovered the issues anyway due to my unfamiliarity with this part of the code and the possible failure cases 😬 |
Rewrote lib.nsgrid module
Fixes #2919 #2345 #2229
Changes made in this Pull Request:
PR Checklist