Split CI workflows into gfortran and containerized

.github/dependabot.yml

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+version: 2
+updates:
+  # Maintain dependencies for GitHub Actions
+  - package-ecosystem: "github-actions"
+    directory: "/"
+    schedule:
+      interval: "daily"
+    target-branch: "master"

.github/workflows/containerized-ci.yml

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+name: Continuous integration in containers
+on: [push, pull_request, workflow_dispatch]
+
+jobs:
+  Containerized-CI:
+    runs-on: ubuntu-22.04
+    strategy:
+      fail-fast: false
+      matrix:
+        compiler: [ifort, ifx]
+        include:
+        # Flags and KGOs for Intel Fortran Compiler Classic
+        - compiler: ifort
+          fcflags: -m64 -g -traceback -heap-arrays -assume realloc_lhs -extend-source 132 -check bounds,uninit,pointers,stack -stand f08
+          gdkgo1: https://docs.google.com/uc?export=download&id=1TpXY-vXkwAnym9nNjzUxt1q_8c8T7X8T
+          gdkgo2: https://docs.google.com/uc?export=download&id=1ic-2B3dIx1kIoi-Nd1ndLbLAe_LIWDGP
+        # Flags and KGOs for Intel Fortran Compiler
+        - compiler: ifx
+          fcflags: -debug -traceback -O0 -heap-arrays -assume realloc_lhs -extend-source 132 -stand f08
+          gdkgo1: https://docs.google.com/uc?export=download&id=19N7wXou-2Zv0oVAnwn4Ucs8Ghr-C0SMt
+          gdkgo2: https://docs.google.com/uc?export=download&id=1EUO6C_v0rq0NMXkLGqZDKX99kknnMRQN
+        # Set container images
+        - compiler: ifort
+          image: ghcr.io/earth-system-radiation/rte-rrtmgp-ci:oneapi
+        - compiler: ifx
+          image: ghcr.io/earth-system-radiation/rte-rrtmgp-ci:oneapi
+    container:
+      image: ${{ matrix.image }}
+    env:
+      F90: ${{ matrix.compiler }}
+      FC:  ${{ matrix.compiler }}
+      F90FLAGS:  ${{ matrix.fcflags }}
+      # Make variables:
+      NFHOME: /opt/netcdf-fortran
+      # KGO tests variables
+      ATOL: 0.0
+      RTOL: 0.0
+      KGO_VERSION: v002
+      GDKGO1: ${{ matrix.gdkgo1 }}
+      GDKGO2: ${{ matrix.gdkgo2 }}
+    steps:
+    #
+    # Checks-out repository under $GITHUB_WORKSPACE
+    #
+    - uses: actions/checkout@v4
+
+    ###############################################################################
+    # Build COSP and retrieve input and test files
+    ###############################################################################
+    # Build COSP2 driver. Intel Fortran stores automatic arrays in the stack
+    # by default, whereas GNU Fortran stores them in the heap. This can cause
+    # segmentation faults with ifort, especially in memory-intensive applications
+    # like COSP. We tell ifort to use heap arrays.
+    - name: Build driver
+      run: |
+        ${F90} --version
+        cd build
+        make -j driver
+    # Retrieve and expand large data files
+    - name: Retrieve input files
+      run: |
+        GDFILE='https://docs.google.com/uc?export=download&id=17eK4_DVEvFOE9Uf6siXJDpWZJKT1aqkU'
+        OUTPATH=driver/data/inputs/UKMO/cosp_input.um_global.nc.gz
+        curl -sSfL -o $OUTPATH $GDFILE
+        gunzip ${OUTPATH}
+        cd driver/data/inputs/UKMO
+        md5sum -c cosp_input.um_global.nc.md5
+    - name: Retrieve KGOs for basic test
+      run: |
+        cd ${GITHUB_WORKSPACE}
+        OUTPATH=driver/data/outputs/UKMO/cosp2_output_um.$F90.kgo.$KGO_VERSION.nc.gz
+        curl -sSfL -o $OUTPATH $GDKGO1
+        gunzip ${OUTPATH}
+        cd driver/data/outputs/UKMO
+        # md5sum -c cosp2_output_um.${F90}.kgo.$KGO_VERSION.nc.md5
+    - name: Retrieve KGOs for global test
+      run: |
+        cd ${GITHUB_WORKSPACE}
+        OUTPATH=driver/data/outputs/UKMO/cosp2_output.um_global.${F90}.kgo.$KGO_VERSION.nc.gz
+        curl -sSfL -o $OUTPATH $GDKGO2
+        gunzip ${OUTPATH}
+        cd driver/data/outputs/UKMO
+        # md5sum -c cosp2_output.um_global.${F90}.kgo.$KGO_VERSION.nc.md5
+    ###############################################################################
+    # Run COSP2 tests. Basic test and UM global snapshot
+    ###############################################################################
+    - name: Basic test and UM global snapshot
+      run: |
+        cd driver/run
+        ./cosp2_test cosp2_input_nl.txt
+        ./cosp2_test cosp2_input_nl.um_global.txt
+    ###############################################################################
+    # Compare results against known good outputs. As above,
+    # we split it in as many steps as tests.
+    ###############################################################################
+    # 1. Basic test
+    - name: Basic against known good output (KGO)
+      run: |
+        cd driver
+        KGO=data/outputs/UKMO/cosp2_output_um.${F90}.kgo.$KGO_VERSION.nc
+        TST=data/outputs/UKMO/cosp2_output_um.nc
+        python compare_to_kgo.py ${KGO} ${TST} --atol=${ATOL} --rtol=${RTOL}
+    # 2. UM global snapshot.
+    - name: UM global against known good output (KGO)
+      run: |
+        cd driver
+        KGO=data/outputs/UKMO/cosp2_output.um_global.${F90}.kgo.$KGO_VERSION.nc
+        TST=data/outputs/UKMO/cosp2_output.um_global.nc
+        python compare_to_kgo.py ${KGO} ${TST} --atol=${ATOL} --rtol=${RTOL}
+    ###############################################################################
+    # Produce plots when it fails during global snapshot tests,
+    # and create a tarball with outputs.
+    ###############################################################################
+    - name: Produce plots and create tarball
+      if: failure()
+      run: |
+        TST_MLEV=data/outputs/UKMO/cosp2_output.um_global_model_levels.nc
+        cd driver
+        if [[ -e data/outputs/UKMO/cosp2_output.um_global.nc ]]; then
+          python plot_test_outputs.py
+        fi
+        if [[ -e data/outputs/UKMO/cosp2_output.um_global_model_levels.nc ]]; then
+          python plot_test_outputs.py --tst_file=$TST_MLEV
+        fi
+        cd data/outputs/UKMO
+        tar --ignore-failed-read -czf outputs.UKMO.tgz cosp2_output.um_global.nc \
+          cosp2_output_um.nc cosp2_output.um_global_model_levels.nc *.png \
+          cosp2_output.um_global.out
+        ls -lh
+    ###############################################################################
+    # Make output files available if any test fails
+    ###############################################################################
+    - name: Upload output file if test fails
+      if: failure()
+      uses: actions/[email protected]
+      with:
+        name: outputs.UKMO.tgz
+        path: driver/data/outputs/UKMO/outputs.UKMO.tgz