Dear Folks,
I want to install PSI4 in ZORIN OS (LINUX Based) via pip or a simple python3, not using Conda environment. I have a few packages like PYOPENCAP and ADCC via pip. So, the interchange between pip and Conda will not work for a particular program. If someone helps me out to install PSI4 via pip, I will be grateful to you.
Best Regards,
Narayan Kundu
IISER-Kolkata
A pip install of Psi is not available.
Why do you say “the interchange between pip and Conda will not work for a particular program”? There shouldn’t be problems if you pip install PyOpenCAP and adcc and conda install Psi4.
May be just clone an appropriate release of psi4 from github, and try building it from source using cmake?
You could try referring to the manual to configure your build, for a reference see: Compiling and Installing from Source.