I am trying to install psi4 via anaconda, using the command: conda install -c psi4 psi4. However, I am getting an error saying Solving environment: failed with …, trying with … How can I install psi4 via anaconda? Is there something else that I need to install prior to psi4 or something that I need to remove?
I am having the same issue as Kostantina, trying to use FFparam.
In the FFparam website you are guided to install a bunch of libraries and modules, however, when the time comes for Psi4 to be installed, conda finds conflicting packages (matplotlib-base, pandas, cffi, rdkit, xz, cairo, paramiko etc etc…).
If I install psi4 in my “base” environment, everything works just fine, but it is impossible to install it in the “ffpenv”, even if I made sure the python versions are exactly the same (3.7.0) in both environments.
I have found a solution to that particular problem. I think it’s best to install psi4 first using the installation guide from the official site. Here are the commands I used: bash Psi4conda-1.3.2-py37-Linux-x86_64.sh -b -p $HOME/psi4conda
echo “source $HOME/psi4conda/etc/profile.d/conda.csh\nconda activate” >> ~/.tcshrc
Exit the terminal, enter the psi4 pathway and run the command: psi4 --test
Now for the installation of ffparam, I used the following commands: conda create -n ffpenv python=3.7