Failing tests in Fedora 34
I'm trying to package Dalton into Fedora; however, there are a few issues preventing it.
On Fedora 34 (gfortran 11.1.1)
The following tests FAILED:
197 - rsp_g_rohf_ecc (Failed)
301 - cc_rsp_mcdbterm (Failed)
417 - cc2_r12_aux_ch4_sym_a2 (Failed)
Are there any known issues with these tests?
Another thing is that running the tests took over 4 hours on my private server that is not a toy. Building Dalton on the Fedora build system may be an issue, since some of the architectures have much slower build nodes, e.g. aarch64. Is there a way to run a smaller test set?
Also, for now I have only packaged the sequential version of Dalton. Is the sequential version useful per se, or should I also compile and package MPI versions? Since we have both OpenMPI and MPICH, this will mean running tests three times; a more limited test set has to happen before this...