Emilio Gallicchio

The OpenCL error with OpenMM 7.6 is reproducible with the Driver Version 495 and CUDA Version: 11.5 on both A30 and A6000 GPUs. The issue appears isolated to the nonbonded...

I will try to check as soon as I get a chance. Further analysis with the 7.6.0 version indicates that the issue is not limited to a particular NVIDIA hardware....

Thank you for the comments @peastman. As additional background on this issue, the conda-forge maintainers now consider OpenMM plugins as examples of "python library with c extension." On this basis,...

I did, and I think they understand this. However, they require that a C++ library with a python wrapper be prepared in two separate packages, one with the C++ library...

Thank you @jchodera @mikemhenry. It looks like we are on the final stretch in getting the ATM Meta Force plugin on conda-forge.

The ATM Meta Force plugin is now on conda forge! To try it, do something like: ``` conda create --name atm-0.3.0 -c conda-forge python=3.7 cudatoolkit=10.2 openmm-atmmetaforce-plugin conda activate atm-0.3.0 git...

> I'm glad you were able to it released on conda-forge! > Thank you, @mikemhenry. The conda-forge process was a bit slow and convoluted but really not that bad. The...

Thank you. Is there a way to access macros with the OpenMM library version numbers?

Thank you @jchodera and all. I have a [draft conda-forge recipe](https://github.com/conda-forge/staged-recipes/pull/19081) for the [ATMMetaForce plugin](https://github.com/Gallicchio-Lab/openmm-atmmetaforce-plugin) awaiting review. Yes, the plugin is rather specific to traditional bonded/non-bonded MM force fields and...

> They won't work correctly with 7.7. Are there guidelines and suggestions regarding porting plugins? Is there a specific change of the OpenMM API from 7.7 to 8.0 that is...