Merge branch 'main' into build-tools

Signed-off-by: Georgia Stuart <gstuart@umass.edu>

.github/workflows/build.yml

@@ -1,18 +1,19 @@
-name: "Test Builds"
+name: "Build and Test"
 
 on:
   push:
     branches:
-      - main
+      - '*'
   pull_request:
     branches:
       - main
+      - devel
 jobs:
-  pyexp:
+  exp:
     strategy:
       matrix:
-        os: [macos-latest, ubuntu-latest]
-        cc: [gcc, mpicc]
+        os: [ubuntu-latest]
+        cc: [gcc]
 
     name: "Test pyEXP Build"
     runs-on: ${{ matrix.os }}
@@ -25,127 +26,36 @@ jobs:
         run: |
           sudo apt-get update
           sudo apt-get install -y build-essential libeigen3-dev libfftw3-dev libhdf5-dev libopenmpi-dev
-
-      - name: Install core dependencies - mac
-        if: startsWith(matrix.os, 'mac')
-        run: |
-          brew update
-          brew reinstall gcc
-          brew install eigen fftw hdf5 open-mpi libomp
+          sudo pip install numpy
 
       - name: Setup submodule and build
         run: |
           git submodule update --init --recursive
           mkdir -p build/install
 
-      - name: Compile pyEXP - Linux
+      - name: Compile EXP
         if: runner.os == 'Linux'
         env:
           CC: ${{ matrix.cc }}
         working-directory: ./build
         run: >-
           cmake
-          -DENABLE_NBODY=NO
+          -DENABLE_NBODY=YES
           -DENABLE_PYEXP=YES
           -DCMAKE_BUILD_TYPE=Release
           -DEigen3_DIR=/usr/include/eigen3/share/eigen3/cmake
           -DCMAKE_INSTALL_PREFIX=./install
           -Wno-dev
           ..
 
-      # Note for future: The homebrew paths are for intel only. Once ARM macs are
-      # supported in here, we'll need to update to /opt/homebrew/... instead
-      - name: Compile pyEXP - Mac
-        if: startsWith(matrix.os, 'mac')
-        env:
-          CC: ${{ matrix.cc }}
-          LDFLAGS: -L/usr/local/opt/libomp/lib
-          CPPFLAGS: -I/usr/local/opt/libomp/include
-        working-directory: ./build
-        run: >-
-          cmake
-          -DENABLE_NBODY=NO
-          -DENABLE_PYEXP=YES
-          -DCMAKE_BUILD_TYPE=Release
-          -DEigen3_DIR=/usr/local/share/eigen3/cmake
-          -DCMAKE_INSTALL_PREFIX=./install
-          -DOpenMP_CXX_INCLUDE_DIR=/usr/local/opt/libomp/include
-          -DOpenMP_C_INCLUDE_DIR=/usr/local/opt/libomp/include
-          -Wno-dev
-          ..
-
       - name: Make
         working-directory: ./build
-        run: make -j 2
-
-  # -----------------------------------------------------------------------------------
-
-  exp:
-    strategy:
-      matrix:
-        os: [macos-latest, ubuntu-latest]
-        cc: [gcc, mpicc]
-
-    name: "Test Full EXP Build"
-    runs-on: ${{ matrix.os }}
-    steps:
-      - name: Checkout
-        uses: actions/checkout@v3
-
-      - name: Install core dependencies - ubuntu
-        if: runner.os == 'Linux'
-        run: |
-          sudo apt-get update
-          sudo apt-get install -y build-essential libeigen3-dev libfftw3-dev libhdf5-dev libopenmpi-dev
-
-      - name: Install core dependencies - mac
-        if: startsWith(matrix.os, 'mac')
-        run: |
-          brew update
-          brew reinstall gcc
-          brew install eigen fftw hdf5 open-mpi libomp
-
-      - name: Setup submodule and build
-        run: |
-          git submodule update --init --recursive
-          mkdir -p build/install
-
-      - name: Compile Full EXP - Linux
-        if: runner.os == 'Linux'
-        env:
-          CC: ${{ matrix.cc }}
-        working-directory: ./build
-        run: >-
-          cmake
-          -DENABLE_NBODY=YES
-          -DENABLE_PYEXP=NO
-          -DCMAKE_BUILD_TYPE=Release
-          -DEigen3_DIR=/usr/include/eigen3/share/eigen3/cmake
-          -DCMAKE_INSTALL_PREFIX=./install
-          -Wno-dev
-          ..
-
-      # Note for future: The homebrew paths are for intel only. Once ARM macs are
-      # supported in here, we'll need to update to /opt/homebrew/... instead
-      - name: Compile Full EXP - Mac
-        if: startsWith(matrix.os, 'mac')
-        env:
-          CC: ${{ matrix.cc }}
-          LDFLAGS: -L/usr/local/opt/libomp/lib
-          CPPFLAGS: -I/usr/local/opt/libomp/include
-        working-directory: ./build
-        run: >-
-          cmake
-          -DENABLE_NBODY=YES
-          -DENABLE_PYEXP=NO
-          -DCMAKE_BUILD_TYPE=Release
-          -DEigen3_DIR=/usr/local/share/eigen3/cmake
-          -DCMAKE_INSTALL_PREFIX=./install
-          -DOpenMP_CXX_INCLUDE_DIR=/usr/local/opt/libomp/include
-          -DOpenMP_C_INCLUDE_DIR=/usr/local/opt/libomp/include
-          -Wno-dev
-          ..
+        run: make -j 4
 
-      - name: Make
+      - name: CTest Quick
         working-directory: ./build
-        run: make -j 2
+        run: ctest -L quick
+
+      #- name: CTest Long
+      #working-directory: ./build
+      #run: ctest -L long

CMakeLists.txt

@@ -2,7 +2,7 @@ cmake_minimum_required(VERSION 3.21) # Needed for CUDA, MPI, and CTest features
 
 project(
   EXP
-  VERSION "7.7.28"
+  VERSION "7.7.99"
   HOMEPAGE_URL https://github.com/EXP-code/EXP
   LANGUAGES C CXX Fortran)
 
@@ -89,7 +89,6 @@ set(CMAKE_FIND_PACKAGE_SORT_DIRECTION DEC)
 # Package support
 
 find_package(MPI REQUIRED COMPONENTS C CXX)
-find_package(Boost COMPONENTS serialization)
 find_package(OpenMP)
 find_package(FFTW)
 find_package(HDF5 COMPONENTS C CXX HL REQUIRED)
@@ -178,12 +177,6 @@ endif()
 if(PNG_FOUND AND ENABLE_PNG)
   set(HAVE_LIBPNGPP TRUE)
 endif()
-if(ENABLE_DSMC)
-  if(NOT BOOST_FOUND)
-    message(SEND_ERROR "You need Boost to compile DSMC")
-  endif()
-  set(DSMC_ENABLED 1)
-endif()
 if(ENABLE_CUDA_SINGLE)
   add_compile_definitions(O_SINGLE=1)
 endif()
@@ -224,6 +217,19 @@ execute_process(
   OUTPUT_STRIP_TRAILING_WHITESPACE
 )
 
+# Git submodule updates
+execute_process(
+  COMMAND git submodule update --init --recursive
+  WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}
+  RESULT_VARIABLE GIT_SUBMOD_RESULT
+)
+
+if(NOT GIT_SUBMOD_RESULT EQUAL "0")
+   message(FATAL_ERROR "git submodule update --init --recursive failed ${GIT_SUBMOD_RESULT}, please checkout submodules")
+else()
+   message(STATUS "Submodules updated successfully - good")
+endif()
+
 # Get the latest abbreviated commit hash of the working branch
 execute_process(
   COMMAND git rev-parse HEAD
@@ -260,11 +266,12 @@ endif()
 # Set options for the HighFive git submodule in extern
 set(HIGHFIVE_EXAMPLES OFF CACHE BOOL "Do not build the examples")
 set(HIGHFIVE_BUILD_DOCS OFF CACHE BOOL "Do not build the documentation")
-set(HIGHFIVE_USE_BOOST OFF CACHE BOOL "Do not use Boost in HighFIve")
+set(HIGHFIVE_USE_BOOST OFF CACHE BOOL "Do not use Boost in HighFive")
+set(HIGHFIVE_UNIT_TESTS OFF CACHE BOOL "Turn off internal testing for HighFIve")
 set(H5_USE_EIGEN TRUE CACHE BOOL "Eigen3 support in HighFive")
 
 if (USE_SUBMODULES)
-  add_subdirectory(extern/HighFive)
+  add_subdirectory(extern/HighFive EXCLUDE_FROM_ALL)
 else ()
   find_package(HighFive REQUIRED)
 endif()
@@ -273,6 +280,7 @@ endif()
 if (BUILD_COMMON_LIBRARIES)
   add_subdirectory(exputil)
   add_subdirectory(coefs)
+  add_subdirectory(expui)
 endif()
 
 if (ENABLE_NBODY)