From 3660d8f8cf6919f13c3777fb753984d1fd9389e9 Mon Sep 17 00:00:00 2001 From: ssun30 Date: Sat, 26 Oct 2024 12:44:12 -0400 Subject: [PATCH] Changed Dockerfile to use Miniforge3 Added build arguments for Dockerfile --- .github/workflows/CI.yml | 2 +- Dockerfile | 20 +++++++++++++------- 2 files changed, 14 insertions(+), 8 deletions(-) diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index ac21dcc1a1..5183002095 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -401,7 +401,7 @@ jobs: password: ${{ secrets.DOCKERHUB_TOKEN }} - name: Build and Push - uses: docker/build-push-action@v4 + uses: docker/build-push-action@v6 with: push: true tags: reactionmechanismgenerator/rmg:latest diff --git a/Dockerfile b/Dockerfile index a263199c89..cafc18c2a9 100644 --- a/Dockerfile +++ b/Dockerfile @@ -23,10 +23,10 @@ RUN apt-get update && \ apt-get clean -y # Install conda -RUN wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh && \ - bash Miniconda3-latest-Linux-x86_64.sh -b -p /miniconda && \ - rm Miniconda3-latest-Linux-x86_64.sh -ENV PATH="$PATH:/miniconda/bin" +RUN wget "https://github.com/conda-forge/miniforge/releases/latest/download/Miniforge3-Linux-x86_64.sh" && \ + bash Miniforge3-Linux-x86_64.sh -b -p /miniforge && \ + rm Miniforge3-Linux-x86_64.sh +ENV PATH="$PATH:/miniforge/bin" # Set solver backend to mamba for speed RUN conda install -n base conda-libmamba-solver && \ @@ -35,12 +35,18 @@ RUN conda install -n base conda-libmamba-solver && \ # Set Bash as the default shell for following commands SHELL ["/bin/bash", "-c"] +# Add build arguments for RMG-Py, RMG-database, and RMS branches. +ARG RMG_Py_Branch=main +ARG RMG_Database_Branch=main +ARG RMS_Branch=main +ENV rmsbranch=${RMS_Branch} + # cd WORKDIR /rmg # Clone the RMG base and database repositories -RUN git clone --single-branch --branch main --depth 1 https://github.com/ReactionMechanismGenerator/RMG-Py.git && \ - git clone --single-branch --branch main --depth 1 https://github.com/ReactionMechanismGenerator/RMG-database.git +RUN git clone --single-branch --branch ${RMG_Py_Branch} --depth 1 https://github.com/ReactionMechanismGenerator/RMG-Py.git && \ + git clone --single-branch --branch ${RMG_Database_Branch} --depth 1 https://github.com/ReactionMechanismGenerator/RMG-database.git WORKDIR /rmg/RMG-Py # build the conda environment @@ -64,7 +70,7 @@ ENV PATH="$RUNNER_CWD/RMG-Py:$PATH" # setting this env variable fixes an issue with Julia precompilation on Windows ENV JULIA_CPU_TARGET="x86-64,haswell,skylake,broadwell,znver1,znver2,znver3,cascadelake,icelake-client,cooperlake,generic" RUN make && \ - julia -e 'using Pkg; Pkg.add(PackageSpec(name="PyCall",rev="master")); Pkg.add(PackageSpec(name="ReactionMechanismSimulator",rev="main")); using ReactionMechanismSimulator' && \ + julia -e 'using Pkg; Pkg.add(PackageSpec(name="PyCall",rev="master")); Pkg.add(PackageSpec(name="ReactionMechanismSimulator",rev=ENV["rmsbranch"])); using ReactionMechanismSimulator' && \ python -c "import julia; julia.install(); import diffeqpy; diffeqpy.install()" # RMG-Py should now be installed and ready - trigger precompilation and test run