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Remove compute_stresses_cart precompilation to fix ForwardDiff Dual tag ordering problems #17

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merged 2 commits into from
Oct 31, 2024

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Technici4n
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Workaround for JuliaDiff/ForwardDiff.jl#714. The precompilation_task.json file is just test/silicon_bands.json without the postscf... I didn't give it more thought for now.

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@mfherbst mfherbst left a comment

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Sounds good, but maybe we should still run this as a test, just to avoid this failing without us noticing in the future ?

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compute_stresses_cart still runs as a test, it's just that the precompilation now uses a different json file.

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Oh sorry to be unclear. I thought to run the precompile json file as an extra test to ensure the json itself does not become out of date.

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It already runs when precompiling AiidaDFTK at the beginning of the tests. Is that sufficient?

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mfherbst commented Oct 31, 2024

True, let's hope that works and catches the problems.

@mfherbst mfherbst enabled auto-merge (squash) October 31, 2024 09:47
@mfherbst mfherbst merged commit 9716fd3 into mfherbst:master Oct 31, 2024
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@Technici4n Technici4n deleted the dont-precompile-derivatives branch November 6, 2024 09:34
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2 participants