OpenMM-Torch 1.3

[raimis]

It is time for the next release.

We need the CUDA Graph fix (#120) for the upcoming TorchMD-NET package (https://github.com/conda-forge/staged-recipes/pull/24021) to work with OpenMM-Torch.

Ping: @RaulPPelaez @peastman @mikemhenry

[peastman]

Sounds good.

[mikemhenry]

Let me know if you need anything from me. Once you make the release on github, ping me and I can make the PR for the release on conda-forge

[raimis]

@mikemhenry shouldn't we enable an automatic release upon the making release in the repo. For some projects, CF is doing that, but I'm not sure how to set it up here.

[mikemhenry]

The bot will pick it up when it detects the github release, it can be slow/take some time, so I was offering to do it manually to speed things up (wasn't sure if we were in a hurry, most Friday releases feel that way to me)

[raimis]

https://github.com/openmm/openmm-torch/releases/tag/v1.3

[raimis]

@mikemhenry you can leave it to the automation. This can wait until Tuesday.

[raimis]

@mikemhenry the automated release hasn't happened, so I'm creating it manually (https://github.com/conda-forge/openmm-torch-feedstock/pull/39).

[raimis]

The version update status for openmm-torch at https://conda-forge.org/status/:

35.00 attempts - The recipe did not change in the version migration, a URL did not hash, or there is jinja2 syntax the bot cannot handle!

Please check the URLs in your recipe with version '03' to make sure they exist!

We also found the following errors:

 - could not hash URL template 'https://github.com/openmm/{{ name }}/archive/v{{ version }}.tar.gz'

[mikemhenry]

I will ask about that, it looks okay...

[raimis]

The packages have been built: https://anaconda.org/conda-forge/openmm-torch/files?version=1.3

[raimis]

@jchodera could you tweet about the release: https://github.com/openmm/openmm-torch/releases/tag/v1.3