Merge pull request #148 from ReactionMechanismGenerator/julia_update

Julia update
ReactionMechanismGenerator · Feb 13, 2024 · 9df7899 · 9df7899
2 parents 4d3484e + 417df2e
commit 9df7899
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diff --git a/.github/workflows/cont_int.yml b/.github/workflows/cont_int.yml
@@ -1,6 +1,6 @@
 name: CI
 
-on: 
+on:
     pull_request:
         branches:
             - main
@@ -27,7 +27,7 @@ jobs:
             haskell: true
             large-packages: true
             swap-storage: true
-        
+
         - name: Cache RMG
           id: cache-rmg
           uses: actions/cache@v2
@@ -64,7 +64,7 @@ jobs:
             path: RMG-database
             ref: main
             fetch-depth: 1
-        
+
         - name: Cache ARC
           id: cache-arc
           uses: actions/cache@v2
@@ -91,9 +91,8 @@ jobs:
             key:
                 ${{ runner.os }}-conda-${{ env.CACHE_NUMBER }}-${{ hashFiles('environment.yml') }}-t3
 
-
         - name: Setup RMG-Py Env
-          uses: conda-incubator/setup-miniconda@v2
+          uses: conda-incubator/setup-miniconda@v3.0.1
           with:
               miniforge-variant: Mambaforge
               miniforge-version: latest
@@ -108,12 +107,10 @@ jobs:
               conda-${{ runner.os }}--${{ runner.arch }}-rmgpyenv-${{ env.CACHE_NUMBER}}
           env:
             # Increase this value to reset cache if etc/example-environment.yml has not changed
-            CACHE_NUMBER: 2
+            CACHE_NUMBER: 3
           id: cache-rmgpy-env
         - name: Update environment
-          run: |
-            sed -i 's/conda-forge::julia>=1.8.5,!=1.9.0/conda-forge::julia>=1.8.5,!=1.9.0, <1.10.0/g' RMG-Py/environment.yml
-            mamba env update -n rmg_env -f RMG-Py/environment.yml
+          run: mamba env update -n rmg_env -f RMG-Py/environment.yml
           if: steps.cache-rmgpy-env.outputs.cache-hit != 'true'
 
         - name: Cythonize RMG-Py
@@ -166,7 +163,7 @@ jobs:
             mamba install -c conda-forge pytest-cov
 
         - name: Run T3 Tests
-          shell: bash -el {0} 
+          shell: bash -el {0}
           run: |
             source ~/.bashrc
             conda activate t3_env

diff --git a/.github/workflows/docker_build.yml b/.github/workflows/docker_build.yml
@@ -16,6 +16,7 @@ on:
       - main
     paths:
       - "./Dockerfile"
+      - "./devtools/Dockerfile_rmgpy"
 
 permissions:
   contents: read

diff --git a/devtools/Dockerfile_rmgpy b/devtools/Dockerfile_rmgpy
@@ -87,6 +87,7 @@ RUN make \
 # Install RMS
 # 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
+ENV JULIA_CPU_TARGET="x86-64,haswell,skylake,broadwell,znver1,znver2,znver3,cascadelake,icelake-client,cooperlake,generic,native"
 RUN touch /opt/conda/envs/rmg_env/condarc-julia.yml
 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()" \