conda-forge / ambertools-feedstock

A conda-smithy repository for ambertools.
BSD 3-Clause "New" or "Revised" License
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Rebuild for libboost 1.82 #124

Closed regro-cf-autotick-bot closed 1 year ago

regro-cf-autotick-bot commented 1 year ago

This PR has been triggered in an effort to update boost_cpp_to_libboost.

Notes and instructions for merging this PR:

  1. Please merge the PR only after the tests have passed.
  2. Feel free to push to the bot's branch to update this PR if needed.

Please note that if you close this PR we presume that the feedstock has been rebuilt, so if you are going to perform the rebuild yourself don't close this PR until the your rebuild has been merged.


If this PR was opened in error or needs to be updated please add the bot-rerun label to this PR. The bot will close this PR and schedule another one. If you do not have permissions to add this label, you can use the phrase code>@<space/conda-forge-admin, please rerun bot in a PR comment to have the conda-forge-admin add it for you.

This PR was created by the regro-cf-autotick-bot. The regro-cf-autotick-bot is a service to automatically track the dependency graph, migrate packages, and propose package version updates for conda-forge. Feel free to drop us a line if there are any issues! This PR was generated by https://github.com/regro/cf-scripts/actions/runs/6371473690, please use this URL for debugging.

conda-forge-webservices[bot] commented 1 year ago

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe) and found it was in an excellent condition.

h-vetinari commented 1 year ago

Base download fails:

Downloading https://ambermd.org/downloads/AmberTools23_rc6.tar.bz2
mattwthompson commented 1 year ago

It might be under a different path, or it might not be - I don't know the process here, does anybody else know or should we be pinging David each time the source moves?

dacase commented 1 year ago

The location/name of the base AmberTools has not changed, but the certificate for the site has expired about a week ago. We have struggled to get this fixed. (I am relying on new IT staff, as I know almost nothing about this sort of thing.)

dacase commented 1 year ago

You might try removing the "s" from "https"; or wait until we can get a fix.

dacase commented 1 year ago

I also could (should?) post the AmberTools tarball onto a web site with a good certificate. Am travelling now, but will do this if the base problem can't be solved. (I keep getting promises that the certificate update is imminent....)

dacase commented 1 year ago

For me, this command:

wget --no-check-certificate https://ambermd.org/downloads/AmberTools23_rc6.tar.bz2

seems to work. Not sure if this helps, or is an acceptable short-term solution....

mikemhenry commented 1 year ago

https://github.com/conda-forge/ambertools-feedstock/pull/125 has the same issue, if switching to non https works, then I will make the same change there as well.

h-vetinari commented 1 year ago

Looks like ambertools is not ABI-compatible with python 3.11 yet (e.g. expecting different size of struct):

pytraj/trajectory/frame.cpp:35169:1: error: too many initializers for 'PyTypeObject' {aka '_typeobject'}
| };
| ^
h-vetinari commented 1 year ago

Looks like ambertools is not ABI-compatible with python 3.11 yet

Ah nevermind, there are py311 builds already. No idea why the boost version would change something about any of that though.

mattwthompson commented 1 year ago

Looks like the error is in cpptraj, which otherwise hasn't been reported: https://github.com/Amber-MD/cpptraj/issues

dacase commented 1 year ago

I think the web-site certificate problems have finally been solved. So try again for problems related to wget failures, or amber_update failures. Apologies for how long it took to get this fixed.

mattwthompson commented 1 year ago

After #125, the merge conflict here is nasty. Since I think all of the changes we want here are automated, I'm going to see if I can persuade the bot into re-doing this one from the top.

regro-cf-autotick-bot commented 1 year ago

Due to the bot-rerun label I'm closing this PR. I will make another one as appropriate. This was generated by https://github.com/regro/cf-scripts/actions/runs/6425268690