Refactor CMake and CI scripting (#316)

Move from Gnu Make to CMake/Ninja as the build system and update continuous integration. See the PR history for details. 

---------

Co-authored-by: Chiel van Heerwaarden <chielvanheerwaarden@gmail.com>
Co-authored-by: Robert Pincus <Robert.Pincus@columbia.edu>
Co-authored-by: Alexander Soklev <alex@makepath.com>

.cmake-format.py

@@ -0,0 +1,25 @@
+with section("parse"):
+    additional_commands = {"check_python3_package": {"pargs": 1, "kwargs": {"CODE": 1}}}
+
+with section("format"):
+    dangle_parens = True
+    max_lines_hwrap = 0
+    keyword_case = "upper"
+    autosort = True
+
+with section("lint"):
+    # The formatter sometimes fails to fit the code into the line limit (C0301) and can
+    # disagree with the linter regarding the indentation (C0307):
+    disabled_codes = ["C0301", "C0307"]
+    # Names of local variables must be in lowercase but sometimes we need to
+    # override standard CMake variables:
+    local_var_pattern = "CMAKE_[0-9A-Z_]+|[a-z][0-9a-z_]+"
+    # The standard names of the languages in CMake are C and Fortran. Names of
+    # private variables must be in lowercase but can have substings "C" and
+    # "Fortran":
+    private_var_pattern = (
+        "([a-z_][0-9a-z_]*_)?(C|Fortran)(_[a-z_][0-9a-z_]*)?|[a-z_][0-9a-z_]+"
+    )
+    # The standard name of the language in CMake is Fortran. Names of public
+    # variables must be in uppercase but can have substring "Fortran":
+    public_var_pattern = "([A-Z][0-9A-Z_]*_)?Fortran(_[A-Z][0-9A-Z_]*)?|[A-Z][0-9A-Z_]+"

.git-blame-ignore-revs

@@ -0,0 +1,2 @@
+# Formatted entire CMake code base with cmake-format
+45b43632309cff022326472a8be0fdd5efc8f5c8

.github/workflows/check-api.yml

@@ -14,11 +14,11 @@ jobs:
   API:
     runs-on: ubuntu-22.04
     env:
-      # Core variables:
       FC: gfortran-12
-      FCFLAGS: "-ffree-line-length-none -m64 -std=f2008 -march=native -fbounds-check -fmodule-private -fimplicit-none -finit-real=nan -g -DRTE_USE_CBOOL"
-      RRTMGP_ROOT: ${{ github.workspace }}
+      FFLAGS: "-m64 -std=f2008 -march=native -fbounds-check -fmodule-private -fimplicit-none -finit-real=nan"
       RTE_KERNELS: extern
+      CMAKE_BUILD_PARALLEL_LEVEL: 8
+      VERBOSE:
     steps:
     #
     # Check out repository under $GITHUB_WORKSPACE
@@ -31,4 +31,7 @@ jobs:
     - name: Build libraries
       run: |
         $FC --version
-        make -j4 libs
+        cmake -S . -B build \
+         -DCMAKE_BUILD_TYPE=RelWithDebInfo \
+         -DKERNEL_MODE=$RTE_KERNELS
+        cmake --build build

.github/workflows/containerized-ci.yml

@@ -21,21 +21,26 @@ jobs:
         include:
         # Set flags for Intel Fortran Compiler Classic
         - fortran-compiler: ifort
-          fcflags: -m64 -g -traceback -heap-arrays -assume realloc_lhs -extend-source 132 -check bounds,uninit,pointers,stack -stand f08 -diag-disable=10448
+          fcflags: -m64 -traceback -heap-arrays -assume realloc_lhs -extend-source 132 -check bounds,uninit,pointers,stack -stand f08 -diag-disable=10448
+          build-type: RelWithDebInfo
         # Set flags for Intel Fortran Compiler
         - fortran-compiler: ifx
           rte-kernels: default
           fcflags: -debug -traceback -O0 -heap-arrays -assume realloc_lhs -extend-source 132 -stand f08
+          build-type: None
         - fortran-compiler: ifx
           rte-kernels: accel
           fcflags: -debug -traceback -O0 -heap-arrays -assume realloc_lhs -extend-source 132 -stand f08 -fiopenmp -fopenmp-targets=spir64
+          build-type: None
         # Set flags for NVIDIA Fortran compiler
         - fortran-compiler: nvfortran
           rte-kernels: default
           fcflags: -Mallocatable=03 -Mstandard -Mbounds -Mchkptr -Kieee -Mchkstk
+          build-type: None
         - fortran-compiler: nvfortran
           rte-kernels: accel
           fcflags: -Mallocatable=03 -Mstandard -Mbounds -Mchkptr -Kieee -Mchkstk -acc
+          build-type: None
         # Set container images
         - fortran-compiler: ifort
           image: ghcr.io/earth-system-radiation/rte-rrtmgp-ci:oneapi
@@ -46,86 +51,57 @@ jobs:
     container:
       image: ${{ matrix.image }}
     env:
-      # Core variables:
       FC: ${{ matrix.fortran-compiler }}
-      FCFLAGS: ${{ matrix.fcflags }} -DRTE_USE_${{ matrix.fpmodel}}
-      # Make variables:
-      NFHOME: /opt/netcdf-fortran
-      RRTMGP_ROOT: ${{ github.workspace }}
-      RRTMGP_DATA: ${{ github.workspace }}/rrtmgp-data
-      RTE_KERNELS: ${{ matrix.rte-kernels }}
-      RUN_CMD:
+      FFLAGS: ${{ matrix.fcflags }}
+      NetCDF_Fortran_ROOT: /opt/netcdf-fortran
+      CMAKE_BUILD_PARALLEL_LEVEL: 8
+      VERBOSE:
+      # TODO: add missing test dependencies and run them in parallel:
+      # CTEST_PARALLEL_LEVEL: 8
+      CTEST_OUTPUT_ON_FAILURE: 1
       # https://github.com/earth-system-radiation/rte-rrtmgp/issues/194
       OMP_TARGET_OFFLOAD: DISABLED
-      FAILURE_THRESHOLD: 7.e-4
 
     steps:
     #
-    # Checks-out repository under $GITHUB_WORKSPACE
+    # Check out repository under $GITHUB_WORKSPACE
     #
-    - uses: actions/checkout@v4
+    - name: Check out code
+      uses: actions/checkout@v4
     #
-    # Check out data
+    # Install required tools
     #
-    - name: Check out data
-      uses: actions/checkout@v4
-      with:
-        repository: earth-system-radiation/rrtmgp-data
-        path: rrtmgp-data
-        ref: v1.8.2
+    - name: Install Required Tools
+      run: |
+        apt-get update
+        apt-get install -y git cmake ninja-build
     #
     # Build libraries, examples and tests (expect success)
     #
     - name: Build libraries, examples and tests (expect success)
       id: build-success
       if: matrix.fortran-compiler != 'ifx' || matrix.rte-kernels != 'accel'
       run: |
-        $FC --version
-        make -j4 libs
-    #
-    # Build libraries, examples and tests (expect failure)
-    #
-    - name: Build libraries, examples and tests (expect failure)
-      if: steps.build-success.outcome == 'skipped'
-      shell: bash
-      run: |
-        $FC --version
-        make -j4 libs 2> >(tee make.err >&2) && {
-          echo "Unexpected success"
-          exit 1
-        } || {
-          grep make.err -e 'Internal compiler error' && {
-            echo "Expected failure"
-          } || {
-            echo "Unexpected failure"
-            exit 1
-          }
-        }
+          cmake -S . -B build -G "Ninja" \
+              -DCMAKE_BUILD_TYPE=${{ matrix.build-type }} \
+              -DRTE_ENABLE_SP=`test 'x${{ matrix.fpmodel }}' = xSP && echo ON || echo OFF` \
+              -DKERNEL_MODE=${{ matrix.rte-kernels }} \
+              -DBUILD_TESTING=ON
+          cmake --build build
     #
     # Run examples and tests
     #
     - name: Run examples and tests
+      working-directory: build
       if: steps.build-success.outcome != 'skipped'
-      run: make -j4 tests
-    #
-    # Relax failure thresholds for single precision
-    #
-    - name: Relax failure threshold for single precision
-      if: matrix.fpmodel == 'SP' && steps.build-success.outcome != 'skipped'
-      run: echo "FAILURE_THRESHOLD=3.5e-1" >> $GITHUB_ENV
-    #
-    # Compare the results
-    #
-    - name: Compare the results
-      if: steps.build-success.outcome != 'skipped'
-      run: make -j4 check
+      run: ctest
     #
     # Generate validation plots
     #
     - name: Generate validation plots
       if: matrix.fortran-compiler == 'ifort' && matrix.rte-kernels == 'default' && matrix.fpmodel == 'DP'
-      working-directory: tests
-      run: python validation-plots.py
+      run: |
+        cmake --build build --target validation-plots
     #
     # Upload validation plots
     #
@@ -134,4 +110,4 @@ jobs:
       uses: actions/upload-artifact@v4
       with:
         name: valdiation-plot
-        path: tests/validation-figures.pdf
+        path: build/tests/validation-figures.pdf