Add Dockerfiles and Docker Hub CI

[AlexanderGetka-cbica]

Proposed Changes

• Add Dockerfiles corresponding to CUDA10.2, CUDA11.3, ROCm and CPU platforms.
• Add a workflow that automatically builds Docker images from the above on push or PR targeting master, and publishes them to Docker Hub on push.

This workflow also can be run manually from any branch, taking a version tag as input, to publish under that tag on Docker Hub. It'll be appended to the platform, so inputting "v1" will yield cbica/gandlf:cuda102-v1, cbica/gandlf:cuda113-v1 ... you get the picture.

In order for this push to work, DOCKER_HUB_USER and DOCKER_HUB_TOKEN need to be present under Secrets in the GitHub repo settings. I recommend using a Docker Hub PAT (instructions here).

Note that even if you set the above, the authentication will fail for this PR, because PRs from forks can't access secrets ("username and password required"). But I've tested it separately on my repo and it should work.

Let me know if I need to change anything else.

Checklist

• I have read the CONTRIBUTING guide
• My PR is based from the current GaNDLF master
• Non-breaking change (would not break existing functionality): please provide as many details as possible for any breaking change
• Function/class source code documentation added/updated
• Code has been blacked for style consistency
• If applicable, version information has been updated in GANDLF/version.py
• If adding a git submodule, add to list of exceptions for black styling in pyproject.toml file
• Usage documentation has been updated, if appropriate
• History has been updated, if appropriate
• Tests added or modified to cover the changes; if coverage is reduced, please give explanation

[codecov]

Codecov Report

Merging #353 (53bbb85) into master (64d024a) will not change coverage.
The diff coverage is n/a.

@@           Coverage Diff           @@
##           master     #353   +/-   ##
=======================================
  Coverage   90.96%   90.96%           
=======================================
  Files          89       89           
  Lines        4828     4828           
=======================================
  Hits         4392     4392           
  Misses        436      436           

Flag	Coverage Δ
unittests	90.96% <ø> (ø)

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[sarthakpati]

Thanks for the PR, @AlexanderGetka-cbica! Can you tell me how to fix the error in the builds?

[sarthakpati]

Thanks for the PR, @AlexanderGetka-cbica! Can you tell me how to fix the error in the builds?

I added the secret variables:

But I am still getting the same error. Am I missing something?

[sarthakpati]

Let's merge and see what happens!!