Lori A. Burns

Results 474 comments of Lori A. Burns

My action plan regarding solid harmonics is to * convert the SHGAUSS_ORDERING cmake-option/define to generator-build-time-only, like the CARTGAUSS and SHELL_SET * C++11 API users of the library will still request...

I think I'm done again with this for the year. Below are the more important changes (that I remember) beyond #233. There's simply so many ways of building this project...

fwiw, @timostrunk and @hadim, my current hope is to get the #269, #270, #271 PRs (cummulative) that address the run-time parts of this one merged and released. Doing that can...

> @loriab let me know what the status of this is, would be great to get this saga finished before 2024 Ah, from what I recall, the basic status is:...

FYI, @LecrisUT, this won't be merged as-is. The user-facing code parts have already been merged as PRs 269, 270, 271. What's left is the builder-facing CMake parts that I'm reexamining...

EFV can correct me if I'm wrong, but probably we're not looking to restructure the build from this PR. The number of people running the actual compiler/generator step of libint...

> @loriab Can we close this? I think this is wrapped up by now. Sure, go ahead. I think I was using it to track a snapshot of file, but...

Closing as all the main aims of this PR have been merged through the Sub-PR list.

Ok, as promised, the QC deps for Psi4 are now available on conda-forge natively for `osx-arm64`. Note that these are cross-compiled on regular `osx-64`, so don't get tested. I'd be...

There's built psi4 packages available for testing. Details at https://github.com/psi4/psi4/issues/2300#issuecomment-1529304015