choderalab / fah-xchem

Tools and infrastructure for automated compound discovery using Folding@home

MIT License

6 stars 3 forks source link

[WIP] Continuous deployment (CD) - Docker build and push to GHCR #162

Closed dotsdl closed 2 years ago

dotsdl commented 2 years ago

Closes #159.

We build a deployable image containing fah-xchem and all dependencies installed via conda to GitHub Container Registry as the primary source for fah-xchem docker images.

Status

[x] Ready to go

dotsdl commented 2 years ago

Success!

We have our new image pushed to the registry: https://github.com/choderalab/fah-xchem/pkgs/container/fah-xchem/versions

Can execute fah-xchem CLI from anywhere with, e.g.:

docker run ghcr.io/choderalab/fah-xchem:sha-4206c4d --help

codecov-commenter commented 2 years ago

Codecov Report

Merging #162 (de0f620) into master (ab4df4f) will not change coverage. The diff coverage is 50.00%.

dotsdl commented 2 years ago

Ready for review @jchodera!