GitHub - susilehtola/erkale: ERKALE -- HF/DFT from Hel

ERKALE -- HF/DFT from Hel

Binary packages for Fedora / Red Hat
Wiki page
Users' guide
List of functionals on libxc page
Building: see INSTALL. In short, with the prerequisites installed from your distribution:
```
cmake -B build
cmake --build build -j
```
CMake finds the system libraries and automatically fetches and builds any of the CMake-based dependencies (libxc, libcint, HDF5, Armadillo, libwignernj, nlohmann/json) that are missing.