Note
All deployment methods require the cns
executable to available in this directory.
On Apple M1 and later versions, the cns
executable should be compiled for the linux arm64 platform. On Intel or AMD processors the cns
executable should be compiled for the linux amd64 platform.
The cns
executable should have its execute bit set with chmod +x cns
.
- Haddock3 webapp with single worker and docker compose
- Haddock3 webapp with remote slurm cluster and docker compose
- Haddock3 webapp with containerized slurm cluster and docker compose
- Haddock3 webapp within BonvinLab computational stuctural biology portal
The webapp version is what is currently checked out.
Versions of bartender, haddock3, gdock and lightdock are defined in the start of the ./Dockerfile.bartenderhaddock3 file. A version can be a git tag, branch or commit hash. They can be overwritten during build with
docker compose -f <docker compose file> build --build-arg HADDOCK3_VERSION=v3.0.0-beta.5
Docker will not detect new commits to a branch, so it is recommended to use a commit hash.
To remove all users and jobs run the following command:
docker compose -f <docker compose file> down -v
The Docker images are published on https://github.com/orgs/i-VRESSE/packages .
Each image has same set of tags:
main
, build from HEAD of the main branch<version>
, build from that version taglatest
, build latest version tagpr-<number>
, build from that pull request
The images are avaliable for linux amd64 and linux arm64 platforms, but arm64 images are not build on pull requests.
When a pull request is closed, you are reminded in a comment to remove the images belonging to that pull request from the registry.
Bartender web service with haddock3, lightdock, gdock executables.
Image does not contain real cns executable, downstream should bind or copy it to /opt/haddock3/bin/cns.
This image can be used to run the
- bartender web service, with
bartender serve
command - bartender worker, with
bartender perform
command - haddock3 restraints web service, with
uvicorn --host 0.0.0.0 --port 5000 haddock.clis.restraints.webservice:app
command
Generates a rsa private key (/certs/private_key.pem file) and public key (/certs/public_key.pem file) pair on startup.
Haddock3 web application image.