Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Fix ubuntu-latest CI and introduce Arm validation #1165

Merged
merged 9 commits into from
Feb 5, 2025

Conversation

foxtran
Copy link
Contributor

@foxtran foxtran commented Feb 1, 2025

Broken tests with CMake + Debug, so these build are currently disabled:
on x86_64:

The following tests FAILED:
	 57 - tblite/gfn1-xtb (NUMERICAL)
	 88 - xtb/docking (NUMERICAL)
	 90 - xtb/gfn0 (NUMERICAL)
	 91 - xtb/gfn1 (NUMERICAL)
	 94 - xtb/hessian (Failed)
	 95 - xtb/iff (NUMERICAL)
	101 - xtb/peeq (Failed)
	106 - xtb/vertical (Failed)
	116 - xtb/GFN0-xTB (NUMERICAL)

on Aarch64:

The following tests FAILED:
	 88 - xtb/docking (Failed)
	 93 - xtb/gfnff (Failed)
	 94 - xtb/hessian (Failed)
	106 - xtb/vertical (Failed)
	107 - xtb/wsc (Failed)

@foxtran foxtran force-pushed the fix/CI branch 2 times, most recently from b3b1e7a to 030680e Compare February 1, 2025 00:32
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
@foxtran foxtran marked this pull request as ready for review February 1, 2025 00:54
Copy link
Contributor

@TyBalduf TyBalduf left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Checks all seem to be passing now, so this looks good to go.

@Albkat
Copy link
Member

Albkat commented Feb 4, 2025

Is there any particular reason to introduce ARM checks?

@Albkat Albkat added the Pipeline GitHub Actions label Feb 4, 2025
@Albkat Albkat added this to the v6.7.2 milestone Feb 4, 2025
@foxtran
Copy link
Contributor Author

foxtran commented Feb 4, 2025

Is there any particular reason to introduce ARM checks?

Some guys uses xtb in AWS cloud. Would be nice to check that at least tests are correct for them. :-)

And you can see that different sets are failing on x86 and Aarch64 in Debug mode.

@awvwgk awvwgk merged commit ee06475 into grimme-lab:main Feb 5, 2025
34 checks passed
@Albkat
Copy link
Member

Albkat commented Feb 5, 2025

I will revert this once the runners with 24.04.5 are fully rolled out (as they have pre-installed LAPACK). Additionally, I will reduce the number of tests—IMO, gfortran 10 and 12 are outdated.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Pipeline GitHub Actions
Projects
None yet
Development

Successfully merging this pull request may close these issues.

4 participants