In order to run MALA you have to have the following packages installed:
- ase
- numpy
- scipy
See also the requirements.txt file.
You can install each Python package with
$ pip install packagenameor all with
$ pip install -r requirements.txtor just install the package along with dependencies
$ pip install -e .(note: the -e is absolutely crucial, so that changes in the code will be
reflected system wide)