ABACUS Container Solution

[tansongchen]

The following notes are extracted from discussions with @darelbeida .

Requirements

1. Container should be able to use in both development and production
2. Container should support both Intel toolkits and GNU toolkits
3. Container should be defined by a Dockerfile, be uploaded to Deep Modeling registry by core developers and be able to be downloaded by everyone

Technical Background

• Docker supports multi-stage build and build time arguments
• GitHub restricts access of repository secrets when a pull request is raised from a fork

Solution

1. There exists a Dockerfile file at the root directory of this repository, which
   1. By accepting --target option, can build to either the "development kit" container (with only dependencies) and the "production" container (with only the compiled binary)
   2. By accepting --build-args option, can build with either Intel toolkits and GNU toolkits
2. There exists an action script test.yml that is invoked upon pull requests toward "develop" branch, building the Dockerfile from the head branch (with --cache-from) targeting the "development kit" container, mounting the code from the head branch, and running CMake & CTest inside the container
3. There exists an action script container.yml that is invoked after merges happened on "develop" branch, building the Dockerfile from "develop" branch targeting both the "development kit" container and "production" container, uploading them to Deep Modeling registry (https://ghcr.io/deepmodeling/)

Action

#87

[caic99]

Solved in #353