The Psi4 website provides instructions to build. However, the build output is full of absolute paths, so the only option is to build on the target machine, or replace every path by hand. The former is not an option when placing code on a university cluster.
I don’t see a Conda meta file or similar. How does Psi4 build the release conda packages?
Right, any ordinary compiled Linux build is non-relocatable, and it’d be tricky to rewrite all the absolute paths in text and even harder to do for anything embedded in rpath, etc.
conda-build provides the special sauce for binary package relocation. The meta file you sought is psi4-feedstock/recipe at main · conda-forge/psi4-feedstock · GitHub if that helps.
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