simtk.org

For the new conda installation process, is there going to be a way to specify to install openmm built with a certain version of CUDA without actually having to install 'cudatoolkit' (and having the dependency solver figure it out presumably) through conda?

I liked how the labels in the old omnia repo allowed you to do that. If not perhaps you can explain the part of the filename archives correspond to the CUDA version etc.

Thank you,
~Sam

You can specify which version of CUDA to use with, for example, "cudatoolkit=10.1", but you can't tell it not to install any toolkit. We're looking into whether we can make a build that doesn't install CUDA, but it's complicated. See https://github.com/openmm/openmm/issues/3059.

Thanks Peter,
I guess I will just plan on building myself if I need to circumvent conda.