Allow RMS branch to be set in CI, passed through Dockerfile.

Author: rwest

.github/workflows/CI.yml

@@ -48,9 +48,12 @@ env:
   # if running on RMG-Py but requiring changes on an un-merged branch of RMG-database, replace
   # main with the name of the branch
   RMG_DATABASE_BRANCH: main
+  # RMS branch to use for ReactionMechanismSimulator installation
+  RMS_BRANCH: for_rmg
   # julia parallel pre-compilation leads to race conditions and hangs, so we limit it to run in serial
   JULIA_NUM_PRECOMPILE_TASKS: 1
 
+
 jobs:
   build-and-push-docker:
     # after testing and on pushes to main, build and push docker image
@@ -85,3 +88,4 @@ jobs:
           build-args: |
             RMG_Py_Branch=${{ github.head_ref || github.ref_name }}
             RMG_Database_Branch=${{ env.RMG_DATABASE_BRANCH }}
+            RMS_Branch=${{ env.RMS_BRANCH }}

Dockerfile

@@ -49,6 +49,7 @@ SHELL ["/bin/bash", "-c"]
 # using the --build-arg option, or in the continous integration CI.yml file.
 ARG RMG_Py_Branch=main
 ARG RMG_Database_Branch=main
+ARG RMS_Branch=for_rmg
 
 # cd
 WORKDIR /rmg
@@ -86,6 +87,7 @@ RUN make
 # Install and link Julia dependencies for RMS
 # 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"
+ENV RMS_BRANCH=${RMS_Branch}
 RUN source install_rms.sh
 
 # RMG-Py should now be installed and ready - trigger precompilation and test run

install_rms.sh

@@ -56,7 +56,11 @@ conda install -y conda-forge::pyjuliacall
 echo "Environment variables referencing JULIA:"
 env | grep JULIA
 
-julia -e 'using Pkg; Pkg.add(Pkg.PackageSpec(name="ReactionMechanismSimulator", url="https://github.com/ReactionMechanismGenerator/ReactionMechanismSimulator.jl.git", rev="for_rmg")); using ReactionMechanismSimulator; Pkg.instantiate()' || echo "RMS install error - continuing anyway ¯\_(ツ)_/¯"
+# Use RMS_BRANCH environment variable if set, otherwise default to for_rmg
+RMS_BRANCH=${RMS_BRANCH:-for_rmg}
+echo "Installing ReactionMechanismSimulator from branch: $RMS_BRANCH"
+
+julia -e "using Pkg; Pkg.add(Pkg.PackageSpec(name=\"ReactionMechanismSimulator\", url=\"https://github.com/ReactionMechanismGenerator/ReactionMechanismSimulator.jl.git\", rev=\"$RMS_BRANCH\")); using ReactionMechanismSimulator; Pkg.instantiate()" || echo "RMS install error - continuing anyway ¯\_(ツ)_/¯"
 
 echo "Checking if ReactionMechanismSimulator is installed in the current conda environment for Python usage..."
 python -c "from juliacall import Main; import sys; sys.exit(0 if Main.seval('Base.identify_package(\"ReactionMechanismSimulator\") !== nothing') and print('ReactionMechanismSimulator is installed in $current_env') is None else 1)"