Bálint Aradi

Sure, it is still an issue.

OK, thanks for keeping the issue alive. We will have a look at that.

@jubich Could you squash the two commits into one and rebase it to current main? Then we could merge it as a single commit on top of current main without...

OK, it seems we neglected this PR for a very long time (sorry!) @PavelStishenko is that still the PR we should look at?

Should be still considered.

I agree. I'll try to have a look at it. Is this also valid with the recent version of DFTB+?

OK. Could you just add the following lines to the input and check the system above with 1 and 2 threads? (The system is rather small). ``` Options { TimingVerbosity...

@ivan-pi That's a very nice idea, thanks for posting! Actually, you can reduce the redundancy somewhat, if you extract the argument list from the argument definition block. If one defines...

I'd rather suggest to avoid implicit rules, if possible. I think, by using `block` and generating the variables on the fly, one can get away without. Also, why not generating...

The reason I started to investigate this, is that on Conda the `ISO_Fortran_binding.h` seems not to be installed as part of the GFortran 12.x compiler (conda-forge/ctng-compilers-feedstock#122). Consequently, MPICH on Conda...