electronic-structure/SIRIUS

Build fail due to probable ELPA api change

Closed this issue · 5 comments

Tenshi65535 commented

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 commented

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 commented

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 commented

This will fix the problem #775
Todo:

  • @Eddie123e If I tag pre-release of sirius/7.3.3 from this branch, would that help?
  • Add ELPA-2022.05.001 to spack repo
  • Rebuild base CI/CD container with latest ELPA.
toxa81 commented

Waiting for spack/spack#33439 to be merged.

toxa81 commented

shoule be resolved by now