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Add test to validate correct update of triclinic box vectors in SOMD #375

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merged 1 commit into from
Dec 13, 2024
Merged

Add test to validate correct update of triclinic box vectors in SOMD #375

merged 1 commit into from
Dec 13, 2024

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lohedges
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@lohedges lohedges commented Dec 9, 2024

This PR is a companion to OpenBioSim/sire#266. Note that the new tests will always pass in our CI since the CPU platform is unaffected. The are added to provide a local regression test for the issue, i.e. they can be run on a CUDA enabled platform.

  • I confirm that I have merged the latest version of devel into this branch before issuing this pull request (e.g. by running git pull origin devel): [y]
  • I confirm that I have permission to release this code under the GPL3 license: [y]

@lohedges lohedges added the bug Something isn't working label Dec 9, 2024
@lohedges lohedges requested a review from mb2055 December 9, 2024 12:24
@lohedges lohedges temporarily deployed to biosimspace-build December 9, 2024 12:26 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build December 9, 2024 12:26 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build December 9, 2024 12:26 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build December 9, 2024 12:27 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build December 9, 2024 12:27 — with GitHub Actions Inactive
mb2055
mb2055 approved these changes Dec 13, 2024
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All fine as long as the installed openmm version is 8.2+ 👍

@lohedges lohedges merged commit 0effc8e into devel Dec 13, 2024
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@lohedges lohedges deleted the fix_sire_265 branch December 13, 2024 14:55
lohedges added a commit that referenced this pull request Dec 13, 2024
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Backport test from PR #375. [ci skip]
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@lohedges lohedges mentioned this pull request Dec 13, 2024
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@mb2055 mb2055 mb2055 approved these changes

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