5.47. extras

Extra functions that need additional dependencies to work.

To also install all additional dependencies, use:

pip install eminus[all]

Alternatively, you can only install selected extras using the respective name:

• dispersion

• fods

• hdf5

• libxc

• symmetry

• torch

• viewer

Note that the libxc extra will install PySCF by default. pylibxc is also supported and will be preferred if it is found in the environment. See libxc for more information.

Additionally, torch has different installation flavors. See torch for more information.