I installed psi4 using the following commands:
Linux or WSL (Windows Subsystem for Linux)
py38|py39|py310 for alternate python versions
curl “http://vergil.chemistry.gatech.edu/psicode-download/Psi4conda-1.4rc1-py38-Linux-x86_64.sh” -o Psi4conda-latest-py38-Linux-x86_64.sh --keepalive-time 2
bash Psi4conda-latest-py38-Linux-x86_64.sh -b -p $HOME/psi4conda # agrees to license terms
(bash) echo $‘. $HOME/psi4conda/etc/profile.d/conda.sh\nconda activate’ >> ~/.bashrc
(tcsh) echo “source $HOME/psi4conda/etc/profile.d/conda.csh\nconda activate” >> ~/.tcshrc
log out, log back in so conda and psi4 in path
psi4 --test
But on “psi4–test” command lots of tests were skipped and two of them failed. For example:
…/psi4conda/lib/python3.8/site-packages/psi4/tests/test_addons.py::test_ipi_broker1 SKIPPED (Not detecting module ipi. Install package if …)
…/psi4conda/lib/python3.8/site-packages/psi4/tests/test_addons.py::test_mrcc FAILED
Can anyone suggest me method to properly install the module