Merge pull request #101 from minyez/main

Improve Intel cmake compiler flags

.github/workflows/action.yml

@@ -2,6 +2,10 @@ name: CI Tests
 
 on: [push, pull_request]
 
+env:
+  # for cache install
+  LINUX_ONEAPI_COMPONENTS: intel-oneapi-compiler-fortran:intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic:intel-oneapi-mpi:intel-oneapi-mpi-devel:intel-oneapi-mkl
+
 jobs:
   GNU:
     runs-on: ${{ matrix.os }}
@@ -63,3 +67,92 @@ jobs:
         # propagate env vars between steps in Github Actions
         env:
           GX_BUILD_DIR: "/home/runner/work/greenX/greenX/build"
+
+  intel-oneapi:
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: false
+      matrix:
+        compiler: [{cc: icx, cxx: icpx, fc: ifx}, {cc: icc, cxx: icpc, fc: ifort}]
+    env:
+      CC: ${{ matrix.compiler.cc }}
+      CXX: ${{ matrix.compiler.cxx }}
+      FC: ${{ matrix.compiler.fc }}
+
+    steps:
+      - name: Intel Apt repository
+        timeout-minutes: 1
+        run: |
+          wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
+          sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
+          rm GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
+          echo "deb https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
+          sudo apt-get update
+          # dump dependencies of oneAPI components
+          echo "$LINUX_ONEAPI_COMPONENTS" | sed "s/:/ /g" | xargs -n 1 apt-cache depends | tee depends.txt
+
+      - name: Cache install
+        timeout-minutes: 2
+        id: cache-install
+        uses: actions/cache@v3
+        with:
+          path: /opt/intel/oneapi/
+          key: install-${{ env.LINUX_ONEAPI_COMPONENTS }}-${{ hashFiles('**/depends.txt') }}
+
+      - name: Install Intel oneAPI
+        timeout-minutes: 5
+        if: steps.cache-install.outputs.cache-hit != 'true'
+        run: |
+          sudo apt-get install $(echo "$LINUX_ONEAPI_COMPONENTS" | sed 's/:/ /g')
+
+      - name: Install ninja-build
+        run: |
+          sudo apt-get install ninja-build
+
+      - name: checkout project code
+        uses: actions/checkout@v2
+
+      - name: Setup Intel oneAPI environment
+        run: |
+          source /opt/intel/oneapi/setvars.sh
+          printenv >> $GITHUB_ENV
+
+      - uses: actions/setup-python@v1
+        with:
+          python-version: '3.7'
+
+      - name: Install Cmake
+        run: pip3 install cmake
+
+      - name: Install python dependencies
+        run: pip3 install numpy pytest
+
+      - name: Install Zofu Test Framework
+        run: |
+          mkdir -p external && cd external
+          git clone https://github.com/acroucher/zofu.git
+          mkdir zofu/build && cd zofu/build
+          cmake \
+             -DCMAKE_BUILD_TYPE=release \
+             -DCMAKE_INSTALL_PREFIX=/home/runner/work/greenX/greenX/external/zofu/install \
+             -DZOFU_FORTRAN_MODULE_INSTALL_DIR:PATH=include \
+             ..
+          make -j 4
+          make install
+
+      - name: Build
+        run: |
+          mkdir -p build
+          cd build
+          cmake -DENABLE_UNITTESTS=ON -DZOFU_PATH=/home/runner/work/greenX/greenX/external/zofu/install ../
+          make -j$(nproc) VERBOSE=1
+
+      - name: Run Tests
+        run: |
+          cd python && pip install -e . && cd ../
+          cd build
+          ctest -j1 --output-on-failure
+        # The build system exports GX_BUILD_DIR, but I do not know how to
+        # propagate env vars between steps in Github Actions
+        env:
+          GX_BUILD_DIR: "/home/runner/work/greenX/greenX/build"

GX-AnalyticContinuation/src/test_pade_approximant.f90

@@ -64,6 +64,8 @@ subroutine test_pade(test)
         ref = cmplx(0.5, -0.5, dp)
         f_approx = pade(n, x, f, xx)
 
+        write(*,'(A6,2F24.16)') " Ref: ", ref
+        write(*,'(A6,2F24.16)') "Test: ", f_approx
         call test%assert(is_close(f_approx, ref, tol=tol), name = 'Test pade ~ -1 / (x - x0)')
 
     end subroutine test_pade

cmake/CompilerFlags.cmake

@@ -2,17 +2,12 @@
 # CMake will append CMAKE_Fortran_FLAGS with CMAKE_Fortran_FLAGS_BUILDTYPE
 # CMAKE_Fortran_FLAGS_BUILDTYPE may also have predefined values, hence initialise it 
 
-# Standard flags to use in all cases
-set(STD_FFLAGS 
-    -std='f2008'            # Fortran standard set to 2008
-    -fimplicit-none         # Specify that no implicit typing is allowed
-    -ffree-line-length-0    # No fixed line length
-   )
-string(REPLACE ";" " " STD_FFLAGS "${STD_FFLAGS}")
-set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} ${STD_FFLAGS}")
-
-
 # GCC
+set(GCC_BASE
+     -std='f2008'            # Fortran standard set to 2008
+     -fimplicit-none         # Specify that no implicit typing is allowed
+     -ffree-line-length-0    # No fixed line length
+   )
 set(GCC_DEBUG 
      -g               # Generate symbols
      -fbacktrace      # symbolic stack traceback
@@ -23,10 +18,15 @@ set(GCC_DEBUG
 set(GCC_RELEASE -O3)  # Level 3 optimisation. Could also consider -fpack-derived
 
 # Intel 
+set(INTEL_BASE
+    -stand f08          # Set standard to Fortran 2008 and warn for non-standard language elements
+    -implicitnone       # Set the default type of a variable to undefined
+    -diag-disable=5268  # Remove warning: Extension to standard: The text exceeds right hand column allowed on the line.
+    -free               # Specify free-fortmat
+   )
 set(INTEL_DEBUG 
     -g           # Generate symbols
     -traceback   # symbolic stack traceback
-    -fp          # Disables the ebp register in optimizations and sets the ebp register to be used as the frame pointer.
     -check all    # Checks for all runtime failures.
     -check bounds # Generates code to perform runtime checks on array subscript and character substring expressions. 
     -check-uninit #  Enables runtime checking for uninitialized variables.
@@ -42,10 +42,12 @@ set(INTEL_RELEASE
    )
 
 if (CMAKE_Fortran_COMPILER_ID MATCHES "GNU")
+   set(FF_BASE ${GCC_BASE})
    set(FF_DEBUG ${GCC_DEBUG})
    set(FF_RELEASE ${GCC_RELEASE})
 
 elseif (CMAKE_Fortran_COMPILER_ID MATCHES "Intel")
+   set(FF_BASE ${INTEL_BASE})
    set(FF_DEBUG ${INTEL_DEBUG})
    set(FF_RELEASE ${INTEL_RELEASE})
 
@@ -54,9 +56,12 @@ else ()
             ${CMAKE_Fortran_COMPILER_ID}")
 endif()
 
+string(REPLACE ";" " " FF_BASE "${FF_BASE}")
 string(REPLACE ";" " " FF_DEBUG "${FF_DEBUG}")
 string(REPLACE ";" " " FF_RELEASE "${FF_RELEASE}")
 
+# Standard flags to use in all cases
+set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} ${FF_BASE}")
 # Initialise BUILDTYPE flags so we completely define/control
 # the compiler settings
 set(CMAKE_Fortran_FLAGS_DEBUG "${FF_DEBUG}")