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Remove pyembree #252

Merged
merged 3 commits into from
Jun 3, 2024
Merged

Remove pyembree #252

merged 3 commits into from
Jun 3, 2024

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mogres
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@mogres mogres commented May 24, 2024

Problem

Removes unused/deprecated pyembree package
Closes #251

Solution

Updated requirements to remove functions using pyembree

Steps to Verify:

Pack the peroxisome surface gradient example recipe with old and new requirements to compare grid creation and packing time.

with pyembree

image

without pyembree

image

We see 8-10% improvement in grid creation and packing speed.

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github-actions bot commented May 24, 2024

Packing analysis report

Analysis for packing results located at cellpack/tests/outputs/test_spheres/spheresSST

Ingredient name Encapsulating radius Average number packed
ext_A 25 236.0

Packing image

Packing image

Distance analysis

Expected minimum distance: 50.00
Actual minimum distance: 50.01

Ingredient key Pairwise distance distribution
ext_A Distance distribution ext_A

@mogres mogres marked this pull request as draft May 24, 2024 15:53
@mogres mogres changed the title Remove collada and pyembree Remove pyembree May 28, 2024
@mogres mogres requested review from rugeli and meganrm May 28, 2024 21:30
@mogres mogres marked this pull request as ready for review June 3, 2024 17:45
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@rugeli rugeli left a comment

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lgtm, thanks for the update!

@mogres mogres merged commit d19b82c into main Jun 3, 2024
7 checks passed
@mogres mogres deleted the remove-pyembree branch June 3, 2024 19:47
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Remove pyembree dependency
3 participants