Merge pull request #4 from hhslepicka/build_cmake

BLD: Improvements to Makefile and Adding Support for CMake

.github/workflows/CI.yml

@@ -0,0 +1,99 @@
+name: CI
+
+on: [push, pull_request]
+
+jobs:
+  make:
+    strategy:
+      fail-fast: false
+      matrix:
+        os: ['ubuntu-latest']
+        mpi: ['nompi', 'openmpi', 'mpich']
+    runs-on: ${{ matrix.os }}
+    steps:
+      - uses: actions/checkout@v2
+      - name: Install GFortran
+        run: |
+          sudo apt-get update
+          sudo apt install gfortran make
+
+      - name: Install MPI - ${{ matrix.mpi }}
+        if: matrix.mpi != 'nompi'
+        run: |
+          sudo apt-get update
+          sudo apt install lib${{ matrix.mpi }}-dev
+
+      - name: Build - No MPI
+        if: matrix.mpi == 'nompi'
+        run: |
+          cd src/
+          make FC=gfortran LINK=gfortran
+
+      - name: Build - MPI - ${{ matrix.mpi }}
+        if: matrix.mpi != 'nompi'
+        run: |
+          cd src/
+          make FC=mpifort LINK=mpifort USE_MPI=1
+
+      - name: Test - No MPI
+        if: matrix.mpi == 'nompi'
+        run: |
+          cd $GITHUB_WORKSPACE/examples/Example1
+          $GITHUB_WORKSPACE/src/ImpactZexe
+
+      - name: Test - MPI - ${{ matrix.mpi }}
+        if: matrix.mpi != 'nompi'
+        run: |
+          cd $GITHUB_WORKSPACE/examples/Example1
+          sed -i"" '11s/1 1/2 1/' ImpactZ.in
+          mpirun -n 2 $GITHUB_WORKSPACE/src/ImpactZexe-mpi
+
+
+  cmake:
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ ubuntu-latest ]
+        mpi: [ nompi, openmpi, mpich ]
+    steps:
+      - uses: actions/checkout@v2
+      - name: Install GFortran
+        run: |
+          sudo apt-get update
+          sudo apt install gfortran cmake
+
+      - name: Install MPI - ${{ matrix.mpi }}
+        if: matrix.mpi != 'nompi'
+        run: |
+          sudo apt-get update
+          sudo apt install lib${{ matrix.mpi }}-dev
+
+      - name: Build - No MPI
+        if: matrix.mpi == 'nompi'
+        run: |
+          mkdir build
+          cd build
+          cmake ../src
+          make
+
+      - name: Build - MPI - ${{ matrix.mpi }}
+        if: matrix.mpi != 'nompi'
+        run: |
+          mkdir build
+          cd build
+          cmake ../src -DUSE_MPI=ON
+          make
+
+      - name: Test - No MPI
+        if: matrix.mpi == 'nompi'
+        run: |
+          cd $GITHUB_WORKSPACE/examples/Example1
+          $GITHUB_WORKSPACE/build/ImpactZexe
+
+      - name: Test - MPI - ${{ matrix.mpi }}
+        if: matrix.mpi != 'nompi'
+        run: |
+          cd $GITHUB_WORKSPACE/examples/Example1
+          sed -i"" '11s/1 1/2 1/' ImpactZ.in
+          mpirun -n 2 $GITHUB_WORKSPACE/build/ImpactZexe-mpi

.gitignore

@@ -1 +1,17 @@
+# IDE project files
+.idea
+
+# macOS attribute file
 .DS_Store
+
+# Temporary build files
+*.o
+*.mod
+mpif.h
+
+# Example artifacts
+examples/*/fort.*
+
+# Binaries
+src/ImpactZexe
+src/ImapctZexe-mpi

src/CMakeLists.txt

@@ -0,0 +1,80 @@
+# set minimum cmake version
+cmake_minimum_required(VERSION 3.5 FATAL_ERROR)
+
+# Uncomment for VERBOSE Makefiles. Useful for debugging.
+#set(CMAKE_VERBOSE_MAKEFILE ON)
+
+# Uncomment for Debug Build
+if(NOT DEFINED CMAKE_BUILD_TYPE)
+    set(CMAKE_BUILD_TYPE Release)
+endif()
+
+# project name and language
+project(ImpactZ LANGUAGES Fortran)
+
+option(USE_MPI "Activate MPI build" OFF)
+
+
+list(APPEND _sources
+    DataStruct/NumConst.f90
+    DataStruct/Pgrid.f90
+    DataStruct/Data.f90
+    DataStruct/PhysConst.f90
+    Func/FFT.f90
+    Func/Timer.f90
+    Func/Fldmger.f90
+    Func/Transpose.f90
+    Func/Ptclmger.f90
+    Appl/BPM.f90
+    Appl/CCDTL.f90
+    Appl/ConstFoc.f90
+    Appl/Distribution.f90
+    Appl/Field.f90
+    Appl/SC.f90
+    Appl/TWS.f90
+    Appl/BeamBunch.f90
+    Appl/CCL.f90
+    Appl/DTL.f90
+    Appl/DriftTube.f90
+    Appl/Multipole.f90
+    Appl/Sol.f90
+    Appl/BeamLineElem.f90
+    Appl/CompDom.f90
+    Appl/Dipole.f90
+    Appl/EMfld.f90
+    Appl/Quadrupole.f90
+    Appl/SolRF.f90
+    Contrl/Output.f90
+    Contrl/AccSimulator.f90
+    Contrl/Input.f90
+    Contrl/main.f90
+)
+
+set(OUTPUT_NAME "ImpactZexe")
+if(USE_MPI)
+    set(OUTPUT_NAME "ImpactZexe-mpi")
+endif()
+add_executable(${OUTPUT_NAME})
+
+if(USE_MPI)
+    find_package(MPI REQUIRED)
+    target_compile_definitions(${OUTPUT_NAME} PUBLIC USE_MPI)
+    target_link_libraries(${OUTPUT_NAME} PUBLIC MPI::MPI_Fortran)
+    include_directories(${MPI_Fortran_INCLUDE_PATH})
+else()
+    # Add mpistub to source list
+    list(APPEND _sources mpistub.f90)
+
+    # Create mpif.h from mpif_single.h
+    configure_file(mpif_single.h ${ImpactZ_BINARY_DIR}/include/mpif.h COPYONLY)
+    # Add include dir above into search path
+    target_include_directories(${OUTPUT_NAME} PRIVATE $<BUILD_INTERFACE:${ImpactZ_BINARY_DIR}/include>)
+endif()
+
+# Associate source files with target
+target_sources(${OUTPUT_NAME} PRIVATE ${_sources})
+
+# Enables preprocessing
+target_compile_options(${OUTPUT_NAME} PRIVATE -cpp)
+
+install(TARGETS ${OUTPUT_NAME} RUNTIME DESTINATION bin)

src/Contrl/Input.f90

@@ -11,7 +11,9 @@
 !           input file "ImpactZ.in".
 !----------------------------------------------------------------
       module Inputclass
+#if USE_MPI != 1
         use mpistub
+#endif
         interface in_Input
           module procedure in1_Input, in2_Input
         end interface

src/DataStruct/Data.f90

@@ -11,7 +11,9 @@
 ! Comments: 
 !----------------------------------------------------------------
       module Dataclass
+#if USE_MPI != 1
         use mpistub
+#endif
         save
 !-----------------------------------------------------------------------
 ! using the x-y-z field data (Ex,Ey,Ez,Bx,By,Bz) directly.

src/DataStruct/Pgrid.f90

@@ -8,7 +8,9 @@
 ! Comments:
 !----------------------------------------------------------------
       module Pgrid2dclass
+#if USE_MPI != 1
         use mpistub
+#endif
         type Pgrid2d
           private
           integer comm_2d      ! comunicator for entire grid

src/DataStruct/PhysConst.f90

@@ -9,7 +9,9 @@
 ! Comments:
 !----------------------------------------------------------------
       module PhysConstclass
+#if USE_MPI != 1
         use mpistub
+#endif
         implicit none
 
         !physical parameters and constants ---------------------

src/Func/Timer.f90

@@ -8,7 +8,9 @@
 ! Comments:
 !----------------------------------------------------------------
       module Timerclass
+#if USE_MPI != 1
         use mpistub
+#endif
         double precision :: t_integ
         double precision :: t_map1
         double precision :: t_map2

src/INSTRUCTIONS.md

@@ -0,0 +1,111 @@
+# Using Anaconda
+
+Information about Anaconda, including install instructions, can be found on the [Conda Reference](https://docs.conda.io/projects/conda/en/latest/) website.
+
+IMPACT-Z is available through conda-forge and can be installed via:
+```bash
+conda create -n impact
+source activate impact # or conda activate impact
+# For non-MPI
+conda install -c conda-forge impact-z
+
+# For OpenMPI
+conda install -c conda-forge impact-z=*=mpi_openmpi*
+
+# For MPICH
+conda install -c conda-forge impact-z=*=mpi_mpich*
+```
+After these steps, the IMPACT-Z executable `ImpactZexe` or `ImpactZexe-mpi`, respectively, will be in your [PATH](https://en.wikipedia.org/wiki/PATH_(variable)) environment variable and is thus ready to use like any regular command-line command.
+
+# Compiling The Code
+
+If you are new to CMake, [this short tutorial](https://hsf-training.github.io/hsf-training-cmake-webpage/) from the HEP Software foundation is the perfect place to get started with it.
+
+If you just want to use CMake to build the project, jump into sections *1. Introduction*, *2. Building with CMake* and *9. Finding Packages*.
+
+## Unix
+
+### Single Processor Code:
+
+```shell script
+# inside the IMPACT-Z src/ directory:
+cmake -S . -B build
+cmake --build build
+# the executable in now in build/bin/
+
+# this command needs sudo if you install into system paths:
+cmake --build build --target install
+```
+If you like to install IMPACT-Z into another directory than the default, pass to the `cmake -S . -B build` line the additional argument `-DCMAKE_INSTALL_PREFIX=/your/custom/install/path`.
+
+### Multi Processor Code:
+
+```shell script
+# inside the IMPACT-Z src/ directory:
+cmake -S . -B build -DUSE_MPI=ON
+cmake --build build
+cmake --build build --target install
+```
+
+## Windows
+
+For Windows it will be necessary to use `NMake` to read and execute the generated makefiles.
+
+`NMake` is command-line tool included with Visual Studio that builds projects based on commands that are contained in a description file.
+
+More information on `NMake` can be found on the [NMAKE Reference](https://docs.microsoft.com/en-us/cpp/build/reference/nmake-reference?view=msvc-160) website.
+
+### Single Processor Code:
+
+```shell script
+cmake -S . -B build -G "NMake Makefiles"
+cmake --build build
+cmake --build build --target install
+cmake --install
+```
+
+### Multi Processor Code:
+
+**Not Tested**
+
+
+## Testing
+
+```shell script
+cd examples
+cd Example1
+# Execute non-MPI
+ImpactZexe
+
+# Execute MPI
+mpirun -n <cores> ImpactZexe-mpi
+```
+
+# Using at NERSC
+
+If you decide to use IMPACT-Z at NERSC you can do so via Anaconda or building from source.
+The instructions for Anaconda are the same as above.
+
+## Compiling the code
+
+### For Haswell
+```bash
+module load openmpi # if using OpenMPI otherwise skip for MPICH
+cmake -S . -B build -DUSE_MPI=ON
+cmake --build build
+# find the executable in build/bin/
+```
+
+### For KNL
+```bash
+module swap craype-haswell craype-mic-knl
+module load openmpi # if using OpenMPI otherwise skip for MPICH
+cmake -S . -B build -DUSE_MPI=ON
+cmake --build build
+# find the executable in build/bin/
+```
+
+## Running at NERSC
+
+There is one caveat with the conda-forge installed MPI version of the code.
+Instead of running with `srun -n <cores> ` you must use `mpirun -n <cores>`.