Updates for OpenMM 7.3 beta

[peastman]

No description provided.

[jchodera]

@peastman : We're building the OpenMM 7.3 beta in conda-dev-recipes, not this repo, since we haven't set up the infrastructure to build with multiple CUDA images yet here.

[jchodera]

Though I realize I need to prevent the force-updating of those packages in conda-dev-recipes. Right now, it looks like it's rebuilding the beta nightly, which we don't want.

[peastman]

We still need to keep this repository up to date though. Especially because the Windows builds are based on this repo.

[jchodera]

Agreed! Thanks! Will merge, then.

[jchodera]

Whoops: If I merge this, it will rebuild CUDA for osx and linux with CUDA 9.0 and overwrite the beta. Let me update the build infrastructure first before we merge this.

[jchodera]

I'll tackle #912 and then merge this in.

[jchodera]

We'll also have to be sure to check against the beta channel first so that this doesn't retrigger beta builds that are already on anaconda cloud.

[peastman]

Any update? It would be very helpful if this could be merged before we build the 7.3 release candidate.

[jchodera]

Ugh, everything is broken again. Sorry for the delay here---I have to clean up the current mess first, but hopefully can get this checked in soon.

[peastman]

Can this be merged?

[jchodera]

@peastman: I've been fighting with the build systems over at http://github.com/omnia-md/conda-dev-recipes to build Python 3.7 since conda-forge has already deprecated Python 3.5 (which means, in effect, so have we, though I think we can still manage the 3.5 build).

In order to build OpenMM Python 3.7 packages, we'll need to rebuild the omnia linux anvil images. We can either wait for @Lnaden to finish omnia-md/omnia-linux-anvil#12 or we can just tweak the existing ones to add the missing TeXLive packages needed for the latest sphinx to work.

[Lnaden]

I won't be able to work on the anvil changes I have for a few days, so I would tweak the existing anvil to add the latex packages. I think you could just call tlmgr from the build.sh script for the purposes of speed, but I don't know if that needs sudo access and the anvil entry point does not have that. I think this was a thing at one point, but I don't remember.

[Lnaden]

I also will want to do testing on the dev side for a while first to make sure the updated build script I have works before merging in the changes to the main recipe channel

[jchodera]

I think you could just call tlmgr from the build.sh script for the purposes of speed, but I don't know if that needs sudo access and the anvil entry point does not have that. I think this was a thing at one point, but I don't remember.

I've tried that without success.

[peastman]

Can this be merged? I need to build the release candidate, and it depends on these changes.