Update compatibility matrix

.github/actions/test-mkl/action.yml

@@ -0,0 +1,56 @@
+name: Test mkl
+description: Test installation of mkl libraries
+inputs:
+  compiler:
+    description: "Toolchain or compiler to install"
+    required: true
+  version:
+    description: "Version of toolchain or compiler"
+    required: true
+  install_mkl: 
+    description: "If MKL should be installed along with the compiler"
+    required: false
+    default: "false"
+runs:
+  using: "composite"
+  steps:
+    - name: Test compile and link mkl (bash)
+      working-directory: test
+      shell: bash
+      run: |
+        # check settings if mkl tests should be run
+        # mkl cannot be installed for 2021.5 on macos;
+        # and for macos-14 also not 2021.6-2021.9
+        mkl_tests=true
+        echo "$RUNNER_OS"
+        if [[ "${{ inputs.compiler }}" =~ "gcc" ]]; then mkl_tests=false; fi
+        if [[ "${{ inputs.compiler }}" =~ "lfortran" ]]; then mkl_tests=false; fi
+        if [[ "${{ inputs.compiler }}" =~ "nvidia" ]]; then mkl_tests=false; fi
+        if [[ "${{ inputs.install_mkl }}" == "false" ]]; then mkl_tests=false; fi
+        if [[ "${{ inputs.version }}" == "2021.5" ]] && [[ "$RUNNER_OS" == "macOS" ]]; then mkl_tests=false; fi
+        if [[ "$RUNNER_OS" == "macOS" ]]; then
+          macos_version=$(sw_vers | grep "ProductVersion")
+          echo "$macos_version"
+          if [[ "$macos_version" =~ "14." ]] && [[ "${{ inputs.version }}" == '2021.6' || "${{ inputs.version }}" == '2021.7' || "${{ inputs.version }}" == '2021.7.1' || "${{ inputs.version }}" == '2021.8' ]]; then 
+            mkl_tests=false
+          fi
+        fi
+
+        # # now we know if we should, run the tests
+        if $mkl_tests; then
+         if [ "$RUNNER_OS" == "macOS" ]; then
+           MKLLIB="$MKLROOT/lib"
+           export DYLD_LIBRARY_PATH="$MKLLIB:$DYLD_LIBRARY_PATH"
+         elif [ "$RUNNER_OS" == "Linux" ]; then
+           MKLLIB="$MKLROOT/latest/lib/intel64"
+           export LD_LIBRARY_PATH="$MKLLIB:$LD_LIBRARY_PATH"
+         fi
+         linking="-L$MKLLIB -lmkl_intel_lp64 -lmkl_sequential -lmkl_core" 
+         # hello world with blas call program
+         ${{ env.FC }} $args $linking -o hw_mkl hw_mkl.f90
+         output=$(./hw_mkl '2>&1')
+         [[ "$output" == *"hello world   9.00000000000000"* ]] && echo "$output" || (echo "Unexpected Fortran program 'hw_mkl' output: $output"; exit 1)
+         rm hw_mkl
+        else
+          echo "Skipping MKL tests"
+        fi

.github/compat/compat.csv

@@ -1,10 +1,10 @@
 compiler,gcc,gcc,gcc,gcc,gcc,intel,intel,intel,intel,intel,intel,intel,intel,intel,intel,intel,intel,intel,intel-classic,intel-classic,intel-classic,intel-classic,intel-classic,intel-classic,intel-classic,intel-classic,intel-classic,intel-classic,intel-classic,intel-classic,intel-classic,intel-classic,lfortran,lfortran,lfortran,nvidia-hpc,nvidia-hpc,nvidia-hpc,nvidia-hpc,nvidia-hpc,nvidia-hpc,nvidia-hpc,nvidia-hpc
-version,10,11,12,13,9,2021.1,2021.1.2,2021.2,2021.4,2022.0,2022.1,2022.2,2022.2.1,2023.0,2023.1,2023.2,2024.0,2024.1,2021.1,2021.1.2,2021.10,2021.11,2021.12,2021.2,2021.3,2021.4,2021.5,2021.6,2021.7,2021.7.1,2021.8,2021.9,0.31.0,0.32.0,0.33.0,20.11,21.11,22.11,23.11,23.3,23.5,23.7,23.9
+version,9,10,11,12,13,2021.1,2021.1.2,2021.2,2021.4,2022.0,2022.1,2022.2,2022.2.1,2023.0,2023.1,2023.2,2024.0,2024.1,2021.1,2021.1.2,2021.2,2021.3,2021.4,2021.5,2021.6,2021.7,2021.7.1,2021.8,2021.9,2021.10,2021.11,2021.12,0.31.0,0.32.0,0.33.0,20.11,21.11,22.11,23.3,23.5,23.7,23.9,23.11
 runner,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,
-macos-12,✓,✓,✓,✓,✓,,,,,,,,,,,,,,✓,,✓,,,✓,✓,✓,✓,✓,✓,,✓,✓,✓,✓,✓,,,,,,,,
-macos-13,✓,✓,✓,✓,,,,,,,,,,,,,,,✓,,✓,,,✓,✓,✓,✓,✓,✓,,✓,✓,✓,✓,✓,,,,,,,,
-macos-14,,✓,✓,✓,,,,,,,,,,,,,,,✓,,✓,,,✓,✓,✓,✓,✓,✓,,✓,✓,✓,✓,✓,,,,,,,,
-ubuntu-20.04,✓,✓,,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓
-ubuntu-22.04,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓
-windows-2019,✓,✓,✓,✓,✓,,,,,,✓,✓,,,✓,✓,✓,✓,,,✓,✓,✓,,,,,✓,✓,,,✓,✓,✓,✓,,,,,,,,
-windows-2022,✓,✓,✓,✓,✓,,,,,,✓,✓,,,✓,✓,✓,✓,,,✓,✓,✓,,,,,✓,✓,,,✓,✓,✓,✓,,,,,,,,
+macos-12,✓,✓,✓,✓,✓,,,,,,,,,,,,,,✓,,✓,✓,✓,✓,✓,✓,,✓,✓,✓,,,✓,✓,✓,,,,,,,,
+macos-13,,✓,✓,✓,✓,,,,,,,,,,,,,,✓,,✓,✓,✓,✓,✓,,,✓,✓,✓,,,✓,✓,✓,,,,,,,,
+macos-14,,,✓,✓,✓,,,,,,,,,,,,,,✓,,✓,✓,✓,✓,✓,✓,,✓,✓,✓,,,✓,✓,✓,,,,,,,,
+ubuntu-20.04,✓,✓,✓,,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓
+ubuntu-22.04,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓,✓
+windows-2019,✓,✓,✓,✓,✓,,,,,,✓,✓,,,✓,✓,✓,✓,,,,,,,✓,✓,,,✓,✓,✓,✓,✓,✓,✓,,,,,,,,
+windows-2022,✓,✓,✓,✓,✓,,,,,,✓,✓,,,✓,✓,✓,✓,,,,,,,✓,✓,,,✓,✓,✓,✓,✓,✓,✓,,,,,,,,

.github/compat/long_compat.csv

@@ -7,6 +7,8 @@ macos-12,gcc,9,✓
 macos-12,intel-classic,2021.1.2,
 macos-12,intel-classic,2021.1,✓
 macos-12,intel-classic,2021.10,✓
+macos-12,intel-classic,2021.11,
+macos-12,intel-classic,2021.12,
 macos-12,intel-classic,2021.2,✓
 macos-12,intel-classic,2021.3,✓
 macos-12,intel-classic,2021.4,✓
@@ -26,13 +28,15 @@ macos-13,gcc,13,✓
 macos-13,intel-classic,2021.1.2,
 macos-13,intel-classic,2021.1,✓
 macos-13,intel-classic,2021.10,✓
+macos-13,intel-classic,2021.11,
+macos-13,intel-classic,2021.12,
 macos-13,intel-classic,2021.2,✓
 macos-13,intel-classic,2021.3,✓
 macos-13,intel-classic,2021.4,✓
 macos-13,intel-classic,2021.5,✓
 macos-13,intel-classic,2021.6,✓
 macos-13,intel-classic,2021.7.1,
-macos-13,intel-classic,2021.7,✓
+macos-13,intel-classic,2021.7,
 macos-13,intel-classic,2021.8,✓
 macos-13,intel-classic,2021.9,✓
 macos-13,lfortran,0.31.0,✓
@@ -44,6 +48,8 @@ macos-14,gcc,13,✓
 macos-14,intel-classic,2021.1.2,
 macos-14,intel-classic,2021.1,✓
 macos-14,intel-classic,2021.10,✓
+macos-14,intel-classic,2021.11,
+macos-14,intel-classic,2021.12,
 macos-14,intel-classic,2021.2,✓
 macos-14,intel-classic,2021.3,✓
 macos-14,intel-classic,2021.4,✓
@@ -96,8 +102,6 @@ ubuntu-20.04,nvidia-hpc,20.7,
 ubuntu-20.04,nvidia-hpc,20.9,
 ubuntu-20.04,nvidia-hpc,21.1,
 ubuntu-20.04,nvidia-hpc,21.11,✓
-ubuntu-20.04,nvidia-hpc,21.3,
-ubuntu-20.04,nvidia-hpc,21.5,
 ubuntu-20.04,nvidia-hpc,21.7,
 ubuntu-20.04,nvidia-hpc,21.9,
 ubuntu-20.04,nvidia-hpc,22.1,
@@ -153,12 +157,13 @@ ubuntu-22.04,nvidia-hpc,20.7,
 ubuntu-22.04,nvidia-hpc,20.9,
 ubuntu-22.04,nvidia-hpc,21.1,
 ubuntu-22.04,nvidia-hpc,21.11,✓
-ubuntu-22.04,nvidia-hpc,21.9,
+ubuntu-22.04,nvidia-hpc,22.1,
 ubuntu-22.04,nvidia-hpc,22.11,✓
 ubuntu-22.04,nvidia-hpc,22.2,
 ubuntu-22.04,nvidia-hpc,22.3,
 ubuntu-22.04,nvidia-hpc,22.5,
 ubuntu-22.04,nvidia-hpc,22.7,
+ubuntu-22.04,nvidia-hpc,22.9,
 ubuntu-22.04,nvidia-hpc,23.1,
 ubuntu-22.04,nvidia-hpc,23.11,✓
 ubuntu-22.04,nvidia-hpc,23.3,✓

.github/compat/wide_compat_reports.py

@@ -16,7 +16,7 @@
 # read long CSV
 df = pd.read_csv(ip)
 
-# pivot and sort
+# pivot and sort by runners
 df = pd.pivot_table(
     df,
     index="runner",
@@ -26,6 +26,22 @@
     aggfunc="first",
 ).sort_values(by=["runner"])
 
+
+# group by compiler and sort by versions
+grouped_versions = {}
+for compiler in df.columns.get_level_values("compiler").unique():
+    versions = df.loc[:, (compiler,)].columns.get_level_values("version").unique()
+    versions = sorted(versions, key=lambda version: tuple(map(int, version.split("."))))
+    grouped_versions[compiler] = versions
+
+sorted_columns = []
+for compiler in grouped_versions:
+    sorted_columns.extend(
+        [(compiler, version) for version in grouped_versions[compiler]]
+    )
+
+df = df[sorted_columns]
+
 # write wide CSV
 df.to_csv(op)
 

.github/workflows/test.yml

@@ -12,6 +12,7 @@ on:
     branches:
       - main
       - develop*
+      - math
     paths-ignore:
       - '**.md'
   schedule:
@@ -74,6 +75,7 @@ jobs:
         with:
           compiler: ${{ matrix.toolchain.compiler }}
           version: ${{ matrix.toolchain.version }}
+          install_mkl: true
 
       # - name: Debug with tmate
       #   uses: mxschmitt/action-tmate@v3
@@ -85,6 +87,17 @@ jobs:
           compiler: ${{ matrix.toolchain.compiler }}
           version: ${{ matrix.toolchain.version }}
 
+      - name: Test MKL libraries
+        # we could also exclude 2021.5 for all macos versions here
+        # this needs refactoring at some point - should the install
+        # fail if no mkl version exists?
+        if: steps.setup-fortran.outcome == 'success' && runner.os != 'windows' 
+        uses: ./.github/actions/test-mkl
+        with:
+          compiler: ${{ matrix.toolchain.compiler }}
+          version: ${{ matrix.toolchain.version }}
+          install_mkl: true
+
       - name: Test C compiler
         continue-on-error: true
         if: needs.options.outputs.mode == 'report' && steps.setup-fortran.outcome == 'success'