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Merge devel functionality into main#528

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adrn merged 20 commits intomainfrom
devel
Dec 11, 2025
Merged

Merge devel functionality into main#528
adrn merged 20 commits intomainfrom
devel

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@adrn
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@adrn adrn commented Dec 10, 2025

Describe your changes

Now that EXP v7.9.0 v7.9.1 is released, we can merge our devel functionality into main.

TODO:

  • Update changelog
  • Update tests to use EXP v7.9.1
  • Move changelog entries from devel heading into v1.11 heading

Checklist

  • Are the CI tests passing?
  • Is the milestone set?

Gala devel will test against EXP devel. Gala main will test against a tagged EXP version.
Previously, we had a frankenstein build that pulled from the EXP repo, build dir,
and install dir. Now with EXP-code/EXP#170, everything we need is in the EXP
install dir, including EXP's vendored dependencies.
From EXP-code/EXP#136. Only the BiorthBasis supports getAccel().

We were accidentally building EXP without optimization, so it
should be much faster now. Also, the new getAccel API lets us
do way fewer function calls to libexpui.
The getAccel EXP API uses "#pragma omp" in the headers, so to see
any benefit we have to compile the Gala EXP extension with -fopenmp
@adrn adrn added this to the v1.11 milestone Dec 10, 2025
@adrn adrn requested a review from lgarrison December 10, 2025 19:34
@lgarrison
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@adrn: did PyEXPPotential get swallowed in the rebase? I don't see it in this branch.

Supports building EXP potentials from pyEXP objects.
I don't think we need to support EXP since it has its own time interpolation?
Also move this setting to the right place for the benchmarks
@adrn
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adrn commented Dec 10, 2025

My mistake -- moving too fast! I think I restored those commits.

@lgarrison
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Thanks! The other issue is that a system-style include snuck into the EXP release: https://github.com/EXP-code/EXP/blob/3e1f2b6546d89883d87c89dc1fb5be1eafb2bee5/expui/Coefficients.H#L21

I think it happened because EXP-code/EXP#160 was in flight while the include style was being changed in EXP-code/EXP#170, and we didn't catch it in the weekly devel tests because there was an unrelated failure in the 1 test that ran. We can work around it in the build.

@adrn
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adrn commented Dec 10, 2025

Aha! Ping @michael-petersen and @The9Cat

@lgarrison
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Upon further investigation, it seems that the header isn't being installed at all, so it's not something we can (easily) fix from the Gala side.

@michael-petersen and @The9Cat, would you consider releasing v7.9.1 with a patch? I'll send a PR.

@The9Cat
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The9Cat commented Dec 10, 2025

I'll overrode the merge policy and pushed the change. Bad form but too minimal for the full review process. The CI is running now. I have no idea how that happened, BTW. They were all correct in the original PR. Probably some secondary merge clobbered it.

@The9Cat
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The9Cat commented Dec 10, 2025

@lgarrison Should be good to go now.

@lgarrison
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Looks good from the Gala side, thanks so much for the quick turnaround @The9Cat! If you can create a new tag, we'll point the Gala release at that.

@The9Cat
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The9Cat commented Dec 10, 2025

It should be tagged v7.9.0 already.

@lgarrison
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https://github.com/EXP-code/EXP/tree/v7.9.0 doesn't seem to have the fix from a few minutes ago. Could you make a v7.9.1 tag?

@The9Cat
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The9Cat commented Dec 10, 2025

Ah, of course, the v7.9.0 tag points at the commit before the fix. Mike made a v7.9.1 tag so @lgarrison it should work as expected now.

@adrn
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adrn commented Dec 11, 2025

Thanks @lgarrison @The9Cat @michael-petersen !

@adrn adrn merged commit e861907 into main Dec 11, 2025
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@adrn adrn deleted the devel branch December 11, 2025 00:07
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3 participants