Update PET-MAD example to PET-MAD v1.1.0rc4 #129
Conversation
abmazitov
changed the title
examples/pet-mad/environment.yml
Outdated
| - lammps-metatensor=2025.02.04.mts0=cpu_hb5fed64_nompi_git.ce972db_0 | ||
| - pet-mad=1.1.0rc4=pyhb0d71a2_0 |
There was a problem hiding this comment.
Please do not pin to specific versions, but use >= and < where relevant
| - lammps-metatensor=2025.02.04.mts0=cpu_hb5fed64_nompi_git.ce972db_0 | |
| - pet-mad=1.1.0rc4=pyhb0d71a2_0 | |
| - lammps-metatensor | |
| - pet-mad >=1.1.0rc4 |
There was a problem hiding this comment.
Why not? It was @ceriottm who asked me to pin the exact version
There was a problem hiding this comment.
Because if everyone pins everything everywhere, it gets very painful. We could introduce lockfiles to save the exact versions of a set of dependencies known to work together in the cookbook, but the current situation where half of the dependencies are pinned and the other half is not means a lot of churn and repeat work whenever we do an update.
There was a problem hiding this comment.
As mentioned in #127 (review), we also don't want people who are using these example to be stuck on old versions, with bugs already fixed in the latest releases.
IMO the default behavior should be that all examples run on the latest version of everything, and we can deviate on a case by case basis if there is a good reason
There was a problem hiding this comment.
Well, okay, that works
There was a problem hiding this comment.
we saw clearly this didn't work though. the pet-mad example broke, and then we couldn't really merge anything new until that was fixed. I think that expecting to keep the whole thing running, and expecting people to fix other examples whenever they want to update one is not realistic.
There was a problem hiding this comment.
I think we could use semver pinning for stable packages, but pin exactly metaverse packages that are still changing too quickly
|
Here is the build version of the cookbook in this pull request: documentation.zip, you can view it locally by unzipping |
|
OK, merging this and we move on the discussion on pinning to #127 |
No description provided.