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Updated RMG-Py version #892

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Updated RMG-Py version #892

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4 changes: 2 additions & 2 deletions Dockerfile
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Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@
# The parent image is the base image that the Dockerfile builds upon.
# The RMG installation instructions suggest Anaconda for installation by source, however, we use micromamba for the Docker image due to its smaller size and less overhead.
# Installation of ARC will also be done in this stage.
FROM --platform=linux/amd64 mambaorg/micromamba:2.2-ubuntu24.04 AS builder

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FromPlatformFlagConstDisallowed: FROM --platform flag should not use constant value "linux/amd64"
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# Set ARGS
ARG RMG_PY_BRANCH=main
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git clone --depth 1 --branch ${ARC_BRANCH} https://github.com/ReactionMechanismGenerator/ARC.git

# Create RMG-Py environment (split into separate layers for GHA cache)
# Pin python=3.9 to drastically reduce solver search space
RUN micromamba create -y -v -n rmg_env python=3.9 -f /home/mambauser/Code/RMG-Py/environment.yml && \
# Pin python=3.11 to drastically reduce solver search space
RUN micromamba create -y -v -n rmg_env python=3.11 -f /home/mambauser/Code/RMG-Py/environment.yml && \
micromamba run -n rmg_env micromamba install -y -v -c conda-forge pyjuliacall conda && \
micromamba clean --all --yes

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# Stage 2: Final image
# The final image is based on the same micromamba image, but we copy over the installed RMG and ARC from the builder stage.
# This keeps the final image size smaller and avoids unnecessary layers.
FROM --platform=linux/amd64 mambaorg/micromamba:2.2-ubuntu24.04

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FROM --platform flag should not use a constant value 

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More info: https://docs.docker.com/go/dockerfile/rule/from-platform-flag-const-disallowed/

ENV MAMBA_ROOT_PREFIX=/opt/conda
ENV PATH=$MAMBA_ROOT_PREFIX/bin:/home/mambauser/.juliaup/bin:/home/mambauser/Code/RMG-Py:/home/mambauser/Code/ARC:$PATH
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