Lori A. Burns
Lori A. Burns
As an easy stopgap that doesn't involve complicated git, I wonder if the compare address from time of cookiecutter checkout could just be stamped into the generated project like so:...
I'm for keeping "cookiecutter". For those that know the parent project, it's good for cookiecutter-cms to be associated as a specialty. For those that don't know about the parent project,...
I like the look-ahead scheme of setuptools_scm, but switching out seems very low priority. Keeping this open probably provides all the warning a user needs. Though they could be encouraged...
Hi Yi, Thanks for your work and the comments. I've been discussing some with Jonathon, and I think if you could do the below, that will clarify all the scaling...
Apologies, please add `quick;` to the sapt-compare/test_input.py also.
ok, I have built psi4 v1.3.2 with python v3.11 from conda-forge. I had to make one src modification to get it to compile: ``` (py311cf_L1) psilocaluser@bash:psinet:/psi/gits/hrw-v132/objdir_py311cf_L1: (1.3.x) git diff diff...
Commenting out an extra cmake line fixes the `coreNone` to `core.so`. Basic, but works. ``` >>> (1.3.x) ll stage/lib/psi4/ total 25704 -rwxr-xr-x. 1 psilocaluser psilocaluser 26286096 Nov 1 16:43 core.so...
closed by #2655
I'm still working on this, but I think it's now up-to-date with master.
@evaleev, I think I've got the solid harmonics ordering configurable at runtime though the route you suggested in https://github.com/evaleev/libint/issues/190#issuecomment-691485225 . Before rolling it out further (and adjusting all the cmake),...