Tell users to install the latest version of openfe #497
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Installation page is the only place I see the version.... if you'll be updating single file and images to use There's also an install listed on the note for Apple Silicon, but rather than add a version, maybe remove the whole note? I haven't tried it yet myself, but I hear someone did the mountain-moving effort to get ambertools to build..... |
Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## main #497 +/- ##
==========================================
- Coverage 91.99% 91.64% -0.36%
==========================================
Files 106 110 +4
Lines 6324 6549 +225
==========================================
+ Hits 5818 6002 +184
- Misses 506 547 +41
☔ View full report in Codecov by Sentry. |
heheh Does anyone on the dev team have an osx-arm64 computer? I am pro getting rid of the extra steps to get an x86-64 env, but I think it would be good if it was battle tested for a bit. |
I believe both @richardjgowers and I do. But I mentioned that I'm the zsh hipster (using it before it was default). As a result, my zsh is x86_64, which means that everything else in my stack is as well. I only discovered this when I was prepping the May tutorial and created a fresh account on my machine for that. I can give the install a try in the fresh account. |
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Ah crap. Leave it there. I install successfully, but get the ancient openfe version that we were seeing from an industrial partner as well. Let me see what I need to do to dump conda list across accounts (one logged into GitHub, one having the issue.) Will add it as a comment here soon, we can address it in a future PR. Probably means you should add the version on the Apple Silicon for now, so this can get merged. |
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I will do that! Also something I was thinking about is we don't have an installer for oxs-arm64, but I am not sure if it is worth building those as well. I think the Linux one has the most utility since it will work on codelab and also for any air gaped hpc installs. |
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Added (so glad I could put a parsed-literal inside a warning block)! |
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Just need to update the latest tags! Uploading them now so I can test them, and I think by the next release I will have the auto upload stuff done |
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Pulling in openfe 0.6.1, ambertools 23.3, openmm 8.0.0 (to cite the usual suspects). I've put in my 11 hours today. I'm not solving this now -- feel free to suggest if you have ideas! (Oh, are we supposed to support Python 3.11? I felt like someone in our stack didn't like that, maybe that's why I'm pulling down nonsense? Still, not solving tonight.) $ conda list |
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So: Which looks like a virtual package, so it is probably a false positive on why it fails to resolve. |
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We should probably open an issue on the conda-forge package about python 3.11 giving us issues, but I think this PR is good to go now |
dwhswenson
approved these changes
Jul 20, 2023
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