Eric G. Kratz

Results 88 comments of Eric G. Kratz

> I anticipate that we'd not just jump on `uv` considering how fast & efficient it is but would take one step at a time while keeping the infrastructure stable....

I still think we should not do this one. I don't see the gain for changing to a new tool when pip is well tested

Just to reiterate, I don't think the pip install is a major bottleneck

I just think that we can speed up CI in other ways than continually changing the build system. For instance when I removed the benchmarks from every PR it saved...

@Akhil-Sharma30 Just a note, I would suggest that you don't force push if you can avoid it. It overwrites history on git and makes it harder to see what was...

@Akhil-Sharma30 Are you still working on this and #3752

@Saransh-cpp What is left on this one? Just deprecation warnings and changing the PR title?

Which versions of PSI4 and TINKER are you using? I have not worked on this project in a couple years since moving out of academia, so I suspect that my...

No worries, this was the original repo that was cited. This version just became unused after I finished my post-doc. This version was not really used with some of the...

It should not be necessary to compile statically, that was just convenient for putting it onto clusters since LICHEM itself was quite simple. The static build has nothing to do...