Skip to content

Latest commit

 

History

History
34 lines (24 loc) · 790 Bytes

install.md

File metadata and controls

34 lines (24 loc) · 790 Bytes
Raw

Installation of MC-MALA

Python packages

In order to run MC-MALA you have to have the following packages installed:

  • ase
  • numpy

See also the requirements.txt file. You can install each Python package with

$ pip install packagename

or all with

$ pip install -r requirements.txt

Further, you need to have MALA installed if you want to use MC-MALA to run a MALA simulation. MALA is not included in the requirements (yet), because it is not yet available on PyPI. If you do not install MALA, you can still use this package for simple tests using the Ising model. After sorting out the dependencies, you can install MC-MALA with

$ pip install -e .

(note: the -e is absolutely crucial, so that changes in the code will be reflected system wide)