Closed yurivict closed 8 months ago
I've tweaked psi4 --version
so that it skips the import psi4
step that can be slow on network drives. It's https://github.com/psi4/psi4/pull/3064 that's in master and has been backported to the v1.8.2 _2
release on conda-forge.
Note that qcengine info
and other uses of get_version()
on the Psi4 harness will be less reliable indicators that psi4 is in working order (e.g., numpy might be missing or mkl libraries missing).
The timeout occurs when QCEngine is run from a psi4 testcase, see this psi4 report.
This equivalent code doesn't timeout:
But when run from the testcase it times out: