Migrate off Anaconda to Poetry and create dedicated RMG-Py builder image #165
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DarkAce65
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Feb 24, 2021
Dockerfile
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| @@ -1,11 +1,26 @@ | |||
| FROM ghcr.io/comocheng/kineticmodelssite/kms-build:latest | |||
| # Fetch RMG-Py build | |||
| FROM comocheng/kms-rmgpy:latest as rmgpy | |||
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comocheng/kms-rmgpy doesn't exist yet - this should be where the Dockerfile.rmg image should be built to
| RUN apk add --no-cache curl \ | ||
| && (curl -sSL https://raw.githubusercontent.com/python-poetry/poetry/master/get-poetry.py | python -) | ||
| ENV PATH="$POETRY_HOME/bin:$PATH" \ | ||
| PYTHONPATH="/rmgpy:$PYTHONPATH" |
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Note that RMG-Py is not specified as a dependency in the pyproject.toml - the dependency is added to the PYTHONPATH here
| volumes: | ||
| rmg-models: | ||
| external: true | ||
| conda: |
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This volume should no longer be necessary
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This PR migrates the base application off of Anaconda and onto poetry. It does this by creating a new image dedicated to building RMG-Py from source and copies the resulting binaries into application container via a Docker multi-stage build (Docker docs).
Another couple things to note:
Note that I wasn't able to run the application since I don't have access to RMG-Models - @kianmehrabani you'll have to verify this (and fix a couple other things like the README, keys, deployment, etc. 😄)
Resolves #166.