Adjusted Dockerfile_rmgpy to work with current PyCall version

ReactionMechanismGenerator · Nov 1, 2023 · afcbe74 · afcbe74
1 parent 04fc9b0
commit afcbe74
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Showing 3 changed files with 3 additions and 2 deletions.
diff --git a/.github/workflows/docker_build.yml b/.github/workflows/docker_build.yml
@@ -29,7 +29,7 @@ jobs:
         uses: docker/build-push-action@v2
         with:
           context: .
-          file: ./devtools/Dockerfile
+          file: ./Dockerfile
           push: false
 
   build-and-push:

diff --git a/devtools/Dockerfile → Dockerfile b/devtools/Dockerfile → Dockerfile
diff --git a/devtools/Dockerfile_rmgpy b/devtools/Dockerfile_rmgpy
@@ -64,6 +64,7 @@ WORKDIR /home/rmguser/Code/RMG-Py
 
 # Install RMG-Py and then clean up the micromamba cache
 RUN micromamba create -y -f environment.yml && \
+    micromamba install -n rmg_env -c conda-forge conda && \
     micromamba clean --all -f -y
 
 # Activate the RMG environment
@@ -88,7 +89,7 @@ RUN make \
 # The extra arguments are required to install PyCall and RMS in this Dockerfile. Will not work without them.
 # Final command is to compile the RMS during Docker build - This will reduce the time it takes to run RMS for the first time
 RUN touch /opt/conda/envs/rmg_env/condarc-julia.yml
-RUN CONDA_JL_CONDA_EXE=/bin/micromamba julia -e 'using Pkg;Pkg.add(PackageSpec(name="PyCall", rev="master")); Pkg.build("PyCall"); Pkg.add(PackageSpec(name="ReactionMechanismSimulator", rev="main"))' \
+RUN CONDA_JL_CONDA_EXE=/bin/micromamba julia -e 'ENV["CONDA_JL_CONDA_EXE"]="/opt/conda/envs/rmg_env/bin/conda";using Pkg;Pkg.add(PackageSpec(name="PyCall", rev="master")); Pkg.build("PyCall"); Pkg.add(PackageSpec(name="ReactionMechanismSimulator", rev="main"))' \
     && python -c "import julia; julia.install(); import diffeqpy; diffeqpy.install()" \
     && python-jl -c "from pyrms import rms"