Rocco Meli
Rocco Meli
Closing as stale.
Closing in favor of a MDAKit (WIP): https://github.com/RMeli/spyrmsdkit
Hi @man0045, great to hear you want to contribute to MDAnalysis! However, we do bot assign issues. If no-body else is working on an issue (as evidenced by a linked...
Hi @jhunjhunwala1234, usually issues are not assigned to people in MDAnalysis. If you want to work on an issue, just work on it and open a pull request with your...
@pradeeprao31, as explained above we don’t assign issues. If you want to work on an issue, just work on it and open a pull request with your fix when you...
This is unfortunately still an issue: https://github.com/RMeli/spyrmsd/actions/runs/6126040044/job/16629237158
Hi @walidabualafia, I use Spack to build CP2K (with `build_system=cmake`) and I don't recall seeing the issue you report. Which version/commit of Spack are you using? --- The latest version...
> Could one then install all cp2k dependencies via Spack without using your repo? This should already be possible when using `build_system=makefile` or when `intel-mkl`/`intel-oneapi-mkl` are not used (I haven't...
A possible workaround for @walidabualafia's issue (which I haven't seen before) would be to build DBCSR with `smm=blas`.
Ah. I did not realize this was failing. I'll look into it.