Lori A. Burns

Libxc v1 isn't in active development. Essentially all changes over the past two years have been to the build system. Thus I don't consider the SONAME to be providing useful...

One of these days, I'll tackle cmake for libint2 and do the sonames on libraries. Even if I went ahead with sonames on libint1, there'd still be the libr12 that...

fwiw, should #148 be merged there would at least be selectors https://github.com/evaleev/libint/pull/148/files#diff-4cfbbb105ca3b371b7251a6e37a56f74R69 so at downstream build time (if building with cmake), a qc program could fend off unsuitable libint2 installations....

psi is non-standard for solid harmonic and probably precipitated this thread. (below is harvested from libint wiki notes.) small mercy is that psi differs in the one dimension that can...

> I see, psi indeed would be a problem then (it uses Gaussian solid harmonic ordering, @loriab ?) Yes, Gaussian solid harmonic ordering. Psi used to do the reordering from...

* Thanks for the future SH toggle, @evaleev, that sounds like a wonderful solution. I can adapt the Libint2Config.cmake for one fewer choice when that's ready. * Thanks for the...

> Any update on this? Psi4-1.5 came out and (AFAICT) is no longer supportable on Linux distributions due to the non-default libint2 it requires. @mbanck, correct, psi4 has never worked...

@mbanck, what are "system libint2"'s configuration characteristics? I may have met your error above before and found it needed an extra set of parenthesis in the l2 header. But unless...

@mbanck , I have now met your psi4 + current libint2 error from https://github.com/evaleev/libint/issues/190#issuecomment-1003936604 in person. It's fixed in psi4 at https://github.com/psi4/psi4/pull/2413. I wouldn't suggest full-speed-ahead on any particular psi+libint...

fwiw, Psi4, as of Wednesday, is now running on #233 (c. 2022) rather than #148 (c. 2019) for Linux, macOS, Windows. This fixes the `INT_NCART` issue Michael brought up, as...