simtk.org

Hello OpenMM Team,

I am trying to compile OpenMM from source and install the Python API under my home directory on a cluster for which I don't have root access. The PYTHON_EXECUTBLE variable is set to the python executable provided by the cluster administer. When I run "make PythonInstall", OpenMM tries to put the Python API to a directory for which I don't have writing permission. How can I tell OpenMM to install the python wrapper to a specific directory under my home directory?

Thanks.

Usually it's best to install your own Python inside your home directory. That way you aren't limited by whatever is preinstalled on the cluster (which often is a fairly old version), and you can easily install whatever packages you want. I generally use Miniconda (https://docs.conda.io/en/latest/miniconda.html).

I think the way to do this is to build the dists individually by running:
and/or
and then copying those to your python installation or put on your python path.