New workflowfile added

Author: Sarbani-Roy

.github/workflows/run-benchmark-docker.yml

@@ -0,0 +1,94 @@
+name: Benchmarking platform in Docker CI
+
+on:
+  push:
+    branches:
+      - dumux_and_rotating_cylinder
+  pull_request:
+    branches:
+      - dumux_and_rotating_cylinder
+  workflow_dispatch:
+
+env:
+  CACHE_NUMBER: 1
+
+jobs:
+  tests:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v3
+
+      - name: Set up QEMU for amd64 emulation
+        uses: docker/setup-qemu-action@v3
+
+      - name: Set up Docker Buildx
+        uses: docker/setup-buildx-action@v3
+
+      - name: Build Docker image (amd64)
+        run: |
+          docker build \
+            --platform linux/amd64 \
+            -f dockerfiles/Dockerfile \
+            -t nfdi_benchmark_docker_ci .
+
+      - name: Run benchmarking platform inside Docker container
+        run: |
+          docker run --platform linux/amd64 \
+            -v $GITHUB_WORKSPACE:/NFDI_Benchmark \
+            nfdi_benchmark_docker_ci \
+            bash -lc "
+              set -e
+              source /opt/miniforge/etc/profile.d/conda.sh
+
+              echo '>>> Generating config'
+              cd /NFDI_Benchmark/benchmarks/linear-elastic-plate-with-hole
+              python generate_config.py
+
+              echo '>>> Pre-building Conda environments'
+
+              echo '>>> Building Kratos environment'
+              mamba env create -n kratos-sim -f /NFDI_Benchmark/benchmarks/linear-elastic-plate-with-hole/kratos/environment_simulation.yml
+              conda activate kratos-sim
+              python -c \"import KratosMultiphysics; print('Kratos version:', KratosMultiphysics.__version__)\"
+
+              echo '>>> Building FEniCS environment'
+              mamba env create -n fenics-sim -f /NFDI_Benchmark/benchmarks/linear-elastic-plate-with-hole/fenics/environment_simulation.yml
+              conda activate fenics-sim
+              export OMP_NUM_THREADS=1
+              export KMP_AFFINITY=disabled
+              python -c \"import dolfinx; print('FEniCSx imported OK')\"
+
+              echo '>>> Building Mesh environment'
+              conda deactivate
+              mamba env create -n mesh -f /NFDI_Benchmark/benchmarks/linear-elastic-plate-with-hole/environment_mesh.yml
+
+              echo '>>> Building Postprocessing environment'
+              mamba env create -n postprocessing -f /NFDI_Benchmark/benchmarks/linear-elastic-plate-with-hole/environment_postprocessing.yml
+
+              echo '>>> Running Snakemake simulation'
+              cd /NFDI_Benchmark/benchmarks/linear-elastic-plate-with-hole
+              snakemake --use-conda --force --cores all
+
+              echo '>>> Running metadata/provenance extraction'
+              snakemake --use-conda --force --cores all \
+                --reporter metadata4ing \
+                --report-metadata4ing-paramscript ../common/parameter_extractor.py \
+                --report-metadata4ing-filename metadata4ing_provenance
+
+              echo '>>> Unzipping provenance results'
+              unzip -o metadata4ing_provenance.zip -d metadata4ing_provenance
+
+              echo '>>> Postprocessing'
+              conda activate postprocessing
+              python plot_provenance.py metadata4ing_provenance
+            "
+
+      - name: Upload results (provenance + plot)
+        uses: actions/upload-artifact@v4
+        with:
+          name: Benchmarking platform in Docker CI
+          path: |
+            benchmarks/linear-elastic-plate-with-hole/metadata4ing_provenance/
+            benchmarks/linear-elastic-plate-with-hole/element_size_vs_stress.pdf