Error after using pk = Psikit()

1

Hi Psi4 users,
I encountered an error after
pk = Psikit()

RuntimeError Traceback (most recent call last)
Cell In[9], line 1
----> 1 pk = Psikit()

File ~.conda\envs\psi16\lib\site-packages\psikit\psikit.py:32, in Psikit.init(self, threads, memory, debug)
30 self.psi4.core.set_output_file(“psikit_out.dat”, True)
31 else:
—> 32 self.psi4.core.be_quiet()

RuntimeError:
Fatal Error: PsiOutStream: Failed to open file /dev/null.
Error occurred in file: D:\a\1\s\psi4\src\psi4\libpsi4util\PsiOutStream.cc on line: 48

Any comments would be appreciated.

2

Hi! We’re the psi4 folks, not the psikit folks, so you might want to enquire at GitHub - Mishima-syk/psikit: psi4+RDKit instead.

All the same, from your Windows-like file paths and the Linux-like /dev/null error, I wonder if you might have hit upon a Psi4 fn that hasn’t been properly generalized to Windows.

Try running as Psikit(debug=True) and see if that evades the error. psikit/psikit.py at master · Mishima-syk/psikit · GitHub Please report back.

btw, enclose any code or output in triple backticks for readability.