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Synchronise with Exscientia remote #307

Merged
merged 19 commits into from
Jul 4, 2024
Merged

Synchronise with Exscientia remote #307

merged 19 commits into from
Jul 4, 2024

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lohedges
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@lohedges lohedges commented Jul 3, 2024

This synchronises with the Exscientia remote ahead of the 2024.2.0 release. Annoyingly it appears that many platform specific skipif directives had been removed from the tests, so I've needed to manually re-add them. Hopefully the CI passes, otherwise I'll need to check what else might have been removed. I'll make a note to mention this since there's no reason to do this. Specific dependencies need to be present for the tests to run. Clearly they are only running their own CI on a specific platform, so thought they could remove them as some minor optimisation.

  • 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 exscientia Related to work with Exscientia label Jul 3, 2024
@lohedges lohedges temporarily deployed to biosimspace-build July 3, 2024 15:38 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 3, 2024 15:38 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 3, 2024 15:38 — with GitHub Actions Inactive
@lohedges lohedges changed the title Syncrhonise with Exscientia remote Synchronise with Exscientia remote Jul 3, 2024
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lohedges commented Jul 3, 2024

Yes, it looks like I need to add one more skipif for GROMACS. How annoying.

@lohedges lohedges temporarily deployed to biosimspace-build July 4, 2024 09:48 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 4, 2024 09:48 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 4, 2024 09:48 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 4, 2024 09:48 — with GitHub Actions Inactive
@lohedges lohedges temporarily deployed to biosimspace-build July 4, 2024 09:48 — with GitHub Actions Inactive
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lohedges commented Jul 4, 2024

Okay, all fixed. Will check with Exs, then merge.

@lohedges lohedges merged commit bb5321a into devel Jul 4, 2024
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@lohedges lohedges deleted the sync_exscientia branch July 4, 2024 11:05
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