Lori A. Burns

Results 474 comments of Lori A. Burns

* Yes, eventually will support `linux-64`, `osx-64`, `osx-arm64`, `win-64` arch. staged-recipes won't have osx-arm64, though. * Still TBD if Windows psi4 packages will include Fortran addons like dkh, gdma, pcmsolver....

> I add to use the conda-forge/label/libint_dev channel for libint. Yes, that's going to be the case for the foreseeable future until https://github.com/evaleev/libint/pull/259 gets reviewed and merged and released, as...

>> Yes, that's going to be the case for the foreseeable future until https://github.com/evaleev/libint/pull/259 gets reviewed and merged and released, as I can't in good conscience replace a released version...

Ok, we're up on c-f at https://anaconda.org/conda-forge/psi4/files . For now, you'll need `conda install psi4 -c conda-forge -c conda-forge/label/libint_dev -c conda-forge/label/psi4_dev`. After the v1.8 release, you can drop the `psi4_dev`...

Thanks, @hadim, great to hear, and thanks for testing! General update: * I've downloaded one of the Linux packages and run full tests, and they all passed. Not much ecosystem...

There's a rebuild of all the psi4 packages up (build `_2`) including `osx_arm64`. * **Please test `osx_arm64`**. These are build by cross-compile and in a direction that can't be emulated,...

Exactly so, @hadim. psi4 has a c-f-compatible release, so that's on the `main` feedstock branch and accessible with `-c conda-forge`. _But_ psi4 still needs a unreleased libint branch, so that's...

Thanks for the report, @GregorySchwing. Is there any chance you've got qcportal or qcfractal installed? I ask because psi4 itself should be pydantic v2-tolerant (that is, psi4 imports the v1...

whoa, quite a lot of details to handle DFT xtpl -- thanks for working it all out! > Should I bother cleaning the cbs driver up, given that distributed driver...

It depends on which ones you're targeting and how you're getting psi4. If you're building from src, you'd `-D ENABLE_=ON` as described here https://github.com/psi4/psi4/blob/master/CMakeLists.txt#L69-L108 . (Note that "addon"s is what...