PSI4 Installation with LibXC Support

Dear all,

I asked the administrators of the cluster I am using to install a PSI4 version with LibXC support. However, the problem is that we could not find any official instructions for the latest PSI4 release on how to do the installation to activate LibXC support ( and it is not listed under add-on dependencies either. Therefore, we were wondering whether the latest PSI4 release actually allows LibXC support. We found out that on the github repository, there are some files related to LibXC. However, the administrators specifically mentioned that the version they need to install has to be either a release or a release candidate, they will not install the master branch of a github repository. Therefore, my question is, how can one install Psi4 with LibXC support using the official release 1.1?

Best regards

Unfortunately Psi4 1.1 does not contain LibXC. You will need to download the development branch and compile from scratch found here.

Thank you for the information. Somehow the link does not work for me.

I see that, odd. Try this:

Ok, I see. Do you or somebody of the developers know when the next release candidate will be out? Unfortunately, the administrators of the cluster I am using will not install the development branch of a github repository.

You can check out the docs here for how to pull Psi4 down as a binary. The dev version shown should have LibXC built into it. We don’t have a plan for the next release beyond “soon™” unfortunately.