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bridge libint for oss, now v2.8.0 #22

Merged
merged 22 commits into from
Dec 14, 2023
Merged

bridge libint for oss, now v2.8.0 #22

merged 22 commits into from
Dec 14, 2023

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loriab
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@loriab loriab commented Sep 4, 2023

Checklist

  • Used a personal fork of the feedstock to propose changes
  • Bumped the build number (if the version is unchanged)
  • Reset the build number to 0 (if the version changed)
  • Re-rendered with the latest conda-smithy (Use the phrase @conda-forge-admin, please rerender in a comment in this PR for automated rerendering)
  • Ensured the license file is being packaged.

From a packaging view, v2.8.0 includes:

  • a configuration option (solid harmonic ordering) is now runtime switchable, rather than library compile-time switchable, so a single 2.8 build can be used by more downstream packages.
  • buildable for Windows

The actual scientific virtues of 2.8 can be seen here https://github.com/evaleev/libint/blob/v2.8.x/CHANGES

The particular builds introduced by this recipe contain higher derivative (i.e., gradient and Hessian) integrals and possibly some new types of integrals (e.g., f12). I've tried to make sure nothing was dropped, but if there is any trouble, please open an issue. See the NOTES file for exact generation configurations.

closes #21 closes #24

@loriab loriab requested a review from felipeZ as a code owner September 4, 2023 22:10
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Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe) and found it was in an excellent condition.

@loriab
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loriab commented Sep 4, 2023

@conda-forge-admin, please rerender

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@loriab
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loriab commented Sep 6, 2023

@conda-forge-admin, please rerender

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loriab commented Oct 29, 2023

@conda-forge-admin, please rerender

conda-forge-webservices[bot] and others added 2 commits October 29, 2023 03:14
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loriab commented Dec 13, 2023

@conda-forge-admin, please rerender

conda-forge-webservices[bot] and others added 3 commits December 13, 2023 06:50
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loriab commented Dec 13, 2023

@matt-chan (horton) and @jan-janssen (votca), there's a new Libint out, v2.8.0, that's built here. If you've heard rumors of me changing up L2 with cmake, this isn't that. This is mostly user features, not build features. I've told the build to save artifacts if you want to try it out with your downstream packages. I won't merge before, say, 8am Thursday Eastern time. Please let me know if you want more time to test. Thanks!

@loriab loriab changed the title bridge libint for oss bridge libint for oss, now v1.8.0 Dec 13, 2023
@loriab loriab changed the title bridge libint for oss, now v1.8.0 bridge libint for oss, now v2.8.0 Dec 13, 2023
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loriab commented Dec 14, 2023

@conda-forge-admin, please rerender

@loriab loriab merged commit a12a6a5 into conda-forge:main Dec 14, 2023
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@loriab loriab deleted the minpsi branch December 14, 2023 19:58
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Version 2.7.3 in main anaconda label?
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