I have been using Psi4 to get to a functional SCF solver (from Dr DePrince’s tutorials). This solver needed “libparallel/parallel.h.”
I had a fully functional version. Then today, to better control python versions on my laptop, I uninstalled the psi4conda. I reinstalled it as a separate environment from within Anaconda. Now, I can’t run the SCF solver since libparallel is missing. I cannot manually find it anywhere within the psi4 environment. Every mention of it on Github leads to a 404 error. Has the folder just disappeared?!
I should add that installation test was fine - 17 passed, 2 skipped - as it was even with my earlier installation.
That header was recently removed from psi4, but it isn’t necessary for the SCF project you’re doing. Just remove the header in your C++ code, recompile your plugin, and everything should work.
I thought so too, but apparently, the molecule object is no longer identified without libparallel.h
If you end up with errors still, check the source on the tutorial you were following. I updated that when I noticed these header changes last week.
Yeah, sorry about this. We’re planning a convenience header
psi4.h for downstream projects like plugins.
Ah I see, I just assumed that the molecule class was being constructed in libparallel. Thank you so much, Dr DePrince and Dr Burns!