Kyle Bystrom

Just a guess, is it possible that your MKLROOT is `~/.local/lib` instead of `~/.local`? It should be the latter, because the compiler looks in `$MKLROOT/lib` for libraries and `$MKLROOT/include` for...

That's odd. I ran the unit tests before pushing to PYPI but did not upgrade mkl-devel, so I think you might be right about it being an issue with the...

Just checked, and `libmkl_def.so` is in my MKL installation, which explains the discrepancy. If `libmkl_def.so.1` is in `~/.loca/lib`, I wonder why it says it cannot find `libmkl_def.so.1`, as opposed to...

It might be worth trying setting `sdl=True` in `site.cfg`, which I believe is more portable.

Yeah, that seems to be the case. I'm working on updating conda to see if I can reproduce the issue. I also saw this Stack Overflow post about a similar...

Oh nice, glad that works at least. I guess that's why numpy always just uses `sdl` linking. Thanks for raising the issue and running these tests. I will keep working...

Sorry for the delayed reply. I have not used WSWQ before; does this refer to the overlap of the wavefunctions with the wavefunctions of another calculation at some perturbed configuration...

Hi @DennisBang, could you please provide your installation details (how you installed--pip or setup.py, which Python version, Anaconda or standard Python, etc.), the function you were calling, the input to...

Currently, the raw plane-wave coefficients that define the pseudo wavefunction are hidden under the hood in the C backend, and all of the read/write utilities automatically add in the plane-wave...

Sorry for the lack of responsiveness this week; I will push to PyPI tonight and answer the other issue you posted ASAP. 1. Not really, only the overlap operator (which...