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update to hoomd4, fix rigid body stuff #68

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merged 3 commits into from
Nov 13, 2023

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chrisjonesBSU
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This PR updates the environment yaml files to use hoomd >= 4.0 so that it is compatible with flowermd when installing from conda. Because of this, a couple properties were removed from setting up rigid bodies (charges and diameter).

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codecov bot commented Nov 13, 2023

Codecov Report

Merging #68 (064919d) into master (2c072c5) will decrease coverage by 0.02%.
The diff coverage is n/a.

❗ Current head 064919d differs from pull request most recent head 820777b. Consider uploading reports for the commit 820777b to get more accurate results

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@@            Coverage Diff             @@
##           master      #68      +/-   ##
==========================================
- Coverage   96.13%   96.11%   -0.02%     
==========================================
  Files           8        8              
  Lines         672      670       -2     
==========================================
- Hits          646      644       -2     
  Misses         26       26              
Files Coverage Δ
cmeutils/gsd_utils.py 86.56% <ø> (-0.20%) ⬇️

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@marjanalbooyeh marjanalbooyeh left a comment

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LGTM. Thanks!

@chrisjonesBSU chrisjonesBSU merged commit 49287fa into cmelab:master Nov 13, 2023
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@chrisjonesBSU chrisjonesBSU deleted the update-env branch November 13, 2023 22:08
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2 participants