cmelab / polybinder

Initialization of thermoplastic polymer systems to simulate thermal welding
GNU General Public License v3.0
2 stars 5 forks source link

a couple more updates for the containers #35

Closed jennyfothergill closed 3 years ago

jennyfothergill commented 3 years ago

I'll also add badges to the readme

Another thing: current the containers don't have uli-init in them. It won't matter for testing, because the tests run on the most current version. But you'll want it for running on clusters. There's a couple ways to handle this:

  1. In the dockerfile, you can manually clone the repo and add it to the container. This will mean uli-init in the container will be the most current version on github whenever you build the container. But there could be problems with reproducibility because you can't guarantee which commit is going to be in the container.
  2. (I prefer this solution) You can add a tagged version of the repo to the environment.yml. You can check out how I do this for planckton. When the repo is in the tag state you want locally, git tag -a YOURTAGNAME will add an annotated tag where the current HEAD is pointing. (it'll open your test editor to type the annotation) Then git push upstream --tags will push the tag. to the upstream remote.
chrisjonesBSU commented 3 years ago

I agree we can go with option #2, using tags