Build fail due to probable ELPA api change

[Tenshi65535]

Greetings to all.

I 've tried to build SIRIUS 7.3.2 prerelease on Archlinux and got the error below:

SIRIUS-7.3.2/src/linalg/eigenproblem.hpp:744:9: error: ‘elpa_eigenvectors_all_host_arrays_dc’ was not declared in this scope; did you mean ‘elpa_eigenvectors_a_h_a_dc’?
  744 |         elpa_eigenvectors_all_host_arrays_dc(handle, A_ptr, w.get(), Z_ptr, &error);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
      |         elpa_eigenvectors_a_h_a_dc

I've checked the ELPA documentation and the api seems change from ELPA-2021.11.002 to ELPA-2022.05.001. Here are two links for your reference: ELPA-2021.11.002 and ELPA-2022.05.001

[toxa81]

again!?!? I will have a look. In spack ELPA-2021.11.001 is still the latest one, that's why we didn't capture it before.

[Tenshi65535]

I've checked the commits of elpa git repo, and it seems only the procedure names changed in elpa_api.F90. I guess a simple patch with versions specified would work? Here is the link to the commit: Commit 095a65ea.

[toxa81]

This will fix the problem https://github.com/electronic-structure/SIRIUS/pull/775 Todo:

• [ ] @Eddie123e If I tag pre-release of sirius/7.3.3 from this branch, would that help?
• [x] Add ELPA-2022.05.001 to spack repo
• [x] Rebuild base CI/CD container with latest ELPA.

[toxa81]

Waiting for https://github.com/spack/spack/pull/33439 to be merged.

[toxa81]

shoule be resolved by now