Add Dockerfile

[timodonnell]

I created a Dockerfile to run RFdesign (including af2_metrics.py) using CUDA. Getting all the versions of packages right was surprisingly tricky, so I thought I would contribute it back in case you want to add it the repository. I verified that inpainting, hallucination, and af2_metrics.py works on a V100. This does not include pyrosetta however due to the licensing constraints. Thanks for all your work on RFDesign.

[jueseph]

Thanks very much, Tim. I merged this.

[multimeric]

I wonder if we could make another Dockerfile that does install the licensed components such as pyrosetta, but it does something like mounting the license into the container so that the user still has to provide it?

[roccomoretti]

@multimeric Licensing for PyRosetta functions at the access stage -- Licensing provides you with access to the installer. There isn't a separate license file which controls access to/authorizes an otherwise installed PyRosetta instance.

[multimeric]

In that case, perhaps a second Dockerfile could be made that will install everything but requires the Python wheel to be in the same directory?