How to run psi4 on windows 10?


I installed windows 10 conda version of psi4, but I am unable to execute it. How can I do that?



The one-file installer or conda install? What does it do when you try to execute?

I installed by a one-file installer.

I executed:

D:\Programas\psi4conda\Scripts\psi4 --test
Traceback (most recent call last):
File “D:\Programas\psi4conda\lib\site-packages\”, line 55, in
from . import core
ImportError: DLL load failed while importing core: Não foi possível encontrar o módulo especificado.

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
File “D:\Programas\psi4conda\Scripts\”, line 184, in
import psi4
File “D:\Programas\psi4conda\lib\site-packages\”, line 60, in
raise ImportError("{0}".format(err))
ImportError: DLL load failed while importing core: The module is not found).

ok. any chance the OS is either never upgraded or very recently upgraded? what is the result of conda list? if there is such a thing on Windows, what’s which conda python psi4?

as you may have guessed, the psi devs don’t have much experience with Windows, so I’m seeking clues. the installer definitely worked in CI and for a tester, but I’d have to look up exactly what Windows versions those were.

Thanks. I solved the problem by using Anaconda prompt, that is installed psi4conda directory.

Oh great, thanks for letting us know. Would you describe what worked vs. what didn’t so we can guide others?