Many tests fail: 143 failed, 576 warnings, 282 errors

[yurivict]

log

Version: 1.9
Python-3.9
FreeBSD 13.2

@loriab

[susilehtola]

Most errors appear to be related to formatting, which is likely caused by a mismatch of formatters used by Psi4 upstream and FreeBSD. The latter could have an older version, for example.

There are errors related to missing functionals in Libxc. Looks like FreeBSD only has Libxc 6.0.0 released over a year ago. E.g. HYB_GGA_XC_R2SCAN0 was only added in Libxc 6.1.0. Is the version check in Psi4 not stringent enough or was it disabled in the FreeBSD build?

[loriab]

I haven't had a chance to look into it, but yes, I suspect the version check isn't tight enough for libxc. We only recently added some that weren't available in v5. I've been using v6.2 fwiw. I'll figure out the right min pin.

[yurivict]

Update to libxc-6.2.2 is pending maintainer's approval in FreeBSD.

As for formatting - should formatting tests really be part of the test suite?