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Support GSD 3 #739

Merged
merged 10 commits into from
Jun 27, 2023
Merged

Support GSD 3 #739

merged 10 commits into from
Jun 27, 2023

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chrisjonesBSU
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This PR makes a few changes that supports using GSD 3.0 (#738 ). I pinned the version to gsd>=2.9 since the new API was introduced then.

A couple of things to note:

  • hoomd's internal snapshot functionality still uses Snapshot
  • I decided to keep snapshot in most of the variable names we use. If it makes more sense to update these names to use frame as well I can.

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codecov bot commented Jun 23, 2023

Codecov Report

Patch coverage: 100.00% and project coverage change: -0.02 ⚠️

Comparison is base (e488a03) 91.99% compared to head (fa853e1) 91.98%.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #739      +/-   ##
==========================================
- Coverage   91.99%   91.98%   -0.02%     
==========================================
  Files          67       67              
  Lines        6459     6459              
==========================================
- Hits         5942     5941       -1     
- Misses        517      518       +1     
Impacted Files Coverage Δ
gmso/external/convert_hoomd.py 91.69% <100.00%> (ø)
gmso/formats/gsd.py 100.00% <100.00%> (ø)

... and 1 file with indirect coverage changes

☔ View full report in Codecov by Sentry.
📢 Do you have feedback about the report comment? Let us know in this issue.

@CalCraven
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Linked to an issue that should fix the ubuntu tests that are failing
yt-project/unyt#431

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@CalCraven CalCraven left a comment

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LGTM! Nice work.

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@daico007 daico007 left a comment

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LGTM!

@daico007 daico007 merged commit 4bac8e5 into mosdef-hub:main Jun 27, 2023
14 of 16 checks passed
@chrisjonesBSU chrisjonesBSU deleted the support-gsd branch June 27, 2023 04:19
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3 participants