Remove deprecated build hacks. Includes move to CCE18 (Frontier) (#620)

.github/workflows/frontier/build.sh

@@ -1,4 +1,4 @@
 #!/bin/bash
 
 . ./mfc.sh load -c f -m g
-./mfc.sh build -j 8 --gpu --sys-hdf5 --sys-fftw
+./mfc.sh build -j 8 --gpu

.github/workflows/frontier/test.sh

@@ -3,5 +3,5 @@
 gpus=`rocm-smi --showid | awk '{print $1}' | grep -Eo '[0-9]+' | uniq | tr '\n' ' '`
 ngpus=`echo "$gpus" | tr -d '[:space:]' | wc -c`
 
-./mfc.sh test --max-attempts 3 -j $ngpus --sys-hdf5 --sys-fftw -- -c frontier
+./mfc.sh test --max-attempts 3 -j $ngpus -- -c frontier
 

.github/workflows/test.yml

@@ -48,23 +48,17 @@ jobs:
 
       - name: Setup MacOS
         if:   matrix.os == 'macos'
-        run: |
-          brew install wget make python make cmake coreutils gcc@14
-          echo "CC=gcc-14"      >> $GITHUB_ENV
-          echo "CXX=g++-14"     >> $GITHUB_ENV
+        run:  |
+          brew install coreutils python cmake fftw hdf5 gcc@14 open-mpi
           echo "FC=gfortran-14" >> $GITHUB_ENV
-          
-      - name: (MacOS) Build OpenMPI
-        if:   matrix.os == 'macos' && matrix.mpi == 'mpi'
-        run: |
-          brew install mpich
 
       - name: Setup Ubuntu
         if:   matrix.os == 'ubuntu' && matrix.intel == false
         run: |
            sudo apt update -y
-           sudo apt install -y tar wget make cmake gcc g++ python3 python3-dev "openmpi-*" libopenmpi-dev
-     
+           sudo apt install -y cmake gcc g++ python3 python3-dev hdf5-tools \
+                    libfftw3-dev libhdf5-dev openmpi-bin libopenmpi-dev
+
       - name: Setup Ubuntu (Intel)
         if:   matrix.os == 'ubuntu' && matrix.intel == true
         run: |
@@ -83,34 +77,22 @@ jobs:
           echo "OMPI_FC=$(which ifort)"     >> $GITHUB_ENV
           echo "OMPI_CXX=$(which icpc)"     >> $GITHUB_ENV
           echo "OMPI_MPICC=$(which icc)"    >> $GITHUB_ENV
-          echo "MPI_HOME=/opt/intel/oneapi/mpi/2021.7.1/"    >> $GITHUB_ENV
-          echo "I_MPI_ROOT=/opt/intel/oneapi/mpi/2021.7.1/"    >> $GITHUB_ENV
+          echo "MPI_HOME=/opt/intel/oneapi/mpi/2021.7.1/"   >> $GITHUB_ENV
+          echo "I_MPI_ROOT=/opt/intel/oneapi/mpi/2021.7.1/" >> $GITHUB_ENV
 
       - name: Build
         run:  |
-          if [ '${{ matrix.intel }}' == 'true' ]; then source /opt/intel/oneapi/setvars.sh; fi
+          if [ '${{ matrix.intel }}' == 'true' ]; then . /opt/intel/oneapi/setvars.sh; fi
           /bin/bash mfc.sh build -j $(nproc) --${{ matrix.debug }} --${{ matrix.mpi }} 
 
       - name: Test
         run:  |
-          if [ '${{ matrix.intel }}' == 'true' ]; then source /opt/intel/oneapi/setvars.sh; fi
+          if [ '${{ matrix.intel }}' == 'true' ]; then . /opt/intel/oneapi/setvars.sh; fi
           /bin/bash mfc.sh test --max-attempts 3 -j $(nproc) $OPT1 $OPT2
         env:
           OPT1: ${{ matrix.mpi == 'mpi' && '--test-all' || '' }}
           OPT2: ${{ matrix.debug == 'debug' && '-% 20' || '' }}
 
-  docker:
-    name: Github | Docker
-    if: needs.file-changes.outputs.checkall == 'true'
-    needs: file-changes
-    runs-on: ubuntu-latest
-    steps:
-    - name: Clone
-      uses: actions/checkout@v4
-
-    - name: Test
-      run:  sudo ./mfc.sh docker ./mfc.sh test --max-attempts 3 -j $(nproc) -a
-
   self:
     name: Self Hosted
     if: github.repository == 'MFlowCode/MFC' && needs.file-changes.outputs.checkall == 'true'

.gitignore

@@ -1,7 +1,6 @@
 node_modules/
 package.json
 yarn.lock
-docker-compose.yml
 
 .venv/
 /build/

CMakeLists.txt

@@ -89,7 +89,10 @@ find_program(FYPP_EXE fypp REQUIRED)
 
 link_libraries("${CMAKE_DL_LIBS}")
 set_property(GLOBAL PROPERTY FIND_LIBRARY_USE_LIB64_PATHS ON)
-list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/toolchain/cmake")
+list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/toolchain/cmake/regular")
+if (CMAKE_Fortran_COMPILER_ID STREQUAL "Cray")
+    list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/toolchain/cmake/cce")
+endif()
 
 
 # Compiler Flags: Here, we specify our own compiler flags for both release and
@@ -526,15 +529,6 @@ if (MFC_SIMULATION)
     MFC_SETUP_TARGET(TARGET  simulation
                      SOURCES "${simulation_SRCs}"
                      MPI OpenACC FFTW)
-
-    if (CMAKE_Fortran_COMPILER_ID STREQUAL "Cray" AND MFC_OpenACC)
-        add_custom_command(TARGET simulation POST_BUILD
-            COMMAND           "${CMAKE_CURRENT_SOURCE_DIR}/toolchain/cce_simulation_workgroup_256.sh"
-                              "${CMAKE_CURRENT_BINARY_DIR}"
-            WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}"
-            COMMENT           "Patching & Rebuilding with Cray hacks"
-        )
-    endif()
 endif()
 
 if (MFC_POST_PROCESS)

README.md

@@ -58,19 +58,14 @@ It's rather straightforward.
 We'll give a brief intro. here for MacOS.
 Using [brew](https://brew.sh), install MFC's dependencies:
 ```shell
-brew install wget python cmake gcc@14 mpich
+brew install coreutils python cmake fftw hdf5 gcc open-mpi
 ```
 You're now ready to build and test MFC!
 Put it to a convenient directory via
 ```shell
 git clone https://github.com/MFlowCode/MFC
 cd MFC
 ```
-and be sure MFC knows what compilers to use by appending and sourcing your `~/.profile` file via this command
-```shell
-echo -e "export CC=gcc-14 \nexport CXX=g++-14 \nexport FC=gfortran-14" >> ~/.profile
-source ~/.profile
-```
 then you can build MFC and run the test suite!
 ```shell
 ./mfc.sh build -j $(nproc)

docs/documentation/getting-started.md

@@ -28,22 +28,10 @@ Please select your desired configuration from the list bellow:
 ```shell
 sudo apt update
 sudo apt upgrade
-sudo apt install tar wget make cmake gcc g++ \
-                   python3 python3-dev         \
-                   "openmpi-*" libopenmpi-dev \
-                   python3-venv
-```
-
-- **Via Pacman (Arch):**
-
-```shell
-sudo pacman -Syu
-sudo pacman -S base-devel coreutils  \
-                 git ninja gcc-fortran \
-                 cmake openmpi python3 \
-                 python-pip openssh    \
-                 python-virtualenv vim \
-                 wget tree
+sudo apt install tar wget make cmake gcc g++      \
+                 python3 python3-dev python3-venv \
+                 openmpi-bin libopenmpi-dev       \
+                 libhdf5-dev libfftw3-dev
 ```
 
 If you wish to build MFC using [NVidia's NVHPC SDK](https://developer.nvidia.com/hpc-sdk),
@@ -55,8 +43,8 @@ first follow the instructions [here](https://developer.nvidia.com/nvidia-hpc-sdk
   <summary><h2>Windows</h2></summary>
 
 On Windows, you can either use Intel Compilers with the standard Microsoft toolchain,
-[Docker](https://docs.docker.com/get-docker/) or the
-[Windows Subsystem for Linux (WSL)](https://docs.microsoft.com/en-us/windows/wsl/) for a Linux experience.
+or the [Windows Subsystem for Linux (WSL)](https://docs.microsoft.com/en-us/windows/wsl/)
+for a Linux experience.
 
  <details>
 
@@ -113,82 +101,16 @@ You will also have access to the `.sln` Microsoft Visual Studio solution files f
 <details>
   <summary><h3>MacOS</h3></summary>
 
-  - **If you use [ZSH]** (Verify with `echo $SHELL`)
+Using [Homebrew](https://brew.sh/) you can install the necessary dependencies:
 
 ```shell
-touch ~/.zshrc
-open ~/.zshrc
-```
-
-  - **If you use [BASH]** (Verify with `echo $SHELL`)
-
-```shell
-touch ~/.bash_profile
-open ~/.bash_profile
-```
-
-An editor should open.
-Please paste the following lines into it before saving the file.
-Modify the first assignment if you wish to use a different version of GNU's GCC.
-These lines ensure that LLVM's Clang and Apple's modified version of GCC are not used to compile MFC.
-Further reading on `open-mpi` incompatibility with `clang`-based `gcc` on macOS: [here](https://stackoverflow.com/questions/27930481/how-to-build-openmpi-with-homebrew-and-gcc-4-9).
-We do *not* support `clang` due to conflicts with the Silo dependency.
-
-```shell
-export MFC_GCC_VER=13
-export CC=gcc-$MFC_GCC_VER
-export CXX=g++-$MFC_GCC_VER
-export FC=gfortran-$MFC_GCC_VER
-```
-
-**Close the open editor and terminal window**. Open a **new terminal** window before executing the commands below.
-
-```shell
-brew install wget python cmake gcc@$MFC_GCC_VER mpich
+brew install coreutils python cmake fftw hdf5 gcc open-mpi
 ```
 
 They will download the dependencies MFC requires to build itself.
 
 </details>
 
-<details>
-  <summary><h3>Docker</h3></summary>
-
-Docker is a lightweight, cross-platform, and performant alternative to Virtual Machines (VMs).
-We build a Docker Image that contains the packages required to build and run MFC on your local machine.
-
-First, install Docker and Git:
-- Windows: [Docker](https://docs.docker.com/get-docker/) + [Git](https://git-scm.com/downloads).
-- macOS: `brew install git docker` (requires [Homebrew](https://brew.sh/)).
-- Other systems:
-```shell
-sudo apt install git docker # Debian / Ubuntu via Aptitude
-sudo pacman -S git docker   # Arch Linux via Pacman
-```
-
-Once Docker and Git are installed on your system, clone MFC with
-
-```shell
-git clone https://github.com/MFlowCode/MFC
-cd MFC 
-```
-
-To fetch the prebuilt Docker image and enter an interactive bash session with the
-recommended settings applied, run
-
-```shell
-  ./mfc.sh  docker # If on \*nix/macOS
-  .\mfc.bat docker # If on Windows
-```
-
-We automatically mount and configure the proper permissions for you to access your local copy of MFC, available at `~/MFC`.
-You will be logged in as the `me` user with root permissions.
-
-:warning: The state of your container is entirely transient, except for the MFC mount.
-Thus, any modification outside of `~/MFC` should be considered permanently lost upon session exit.
-
-</details>
-
 ## Building MFC
 
 MFC can be built with support for various (compile-time) features:

mfc.bat

@@ -1,7 +1,5 @@
 @echo off
 
-if "%1" == "docker" goto label_docker
-
 goto label_windows
 
 :label_windows
@@ -54,38 +52,3 @@ if %main_py_err% neq 0 (
 exit /b %main_py_err%
 
 :label_windows_after
-
-
-:label_docker
-where docker >nul 2>nul
-if %errorlevel% neq 0 (
-	echo.
-	echo ^[mfc.bat^] You must have Docker installed.
-	echo           Please install Docker and try again.
-	exit /b 1
-)
-
-
-echo ^[mfc.bat^] Fetching image...
-docker pull henryleberre/mfc
-if %errorlevel% neq 0 (
-	echo.
-	echo ^[mfc.bat^] Docker: Failed to fetch image.
-	echo           Pleasure ensure docker is running.
-	exit /b 1
-)
-
-echo ^[mfc.bat^] Starting container...
-docker run --interactive --tty --rm ^
-		   --mount type=bind,source="%cd%",target=/home/me/MFC ^
-		   henryleberre/mfc
-
-if %errorlevel% neq 0 (
-	echo.
-	echo          Docker: Fatal container runtime error.
-	exit /b 1
-)
-
-
-exit /b 0
-:label_docker_after

mfc.sh

@@ -32,8 +32,6 @@ elif [ "$1" '==' "format" ]; then
     . "$(pwd)/toolchain/bootstrap/python.sh"
 
     shift; . "$(pwd)/toolchain/bootstrap/format.sh"  $@; exit 0
-elif [ "$1" '==' "docker" ]; then
-    shift; . "$(pwd)/toolchain/bootstrap/docker.sh"  $@; exit 0
 elif [ "$1" '==' "venv" ]; then
     shift; . "$(pwd)/toolchain/bootstrap/python.sh"  $@; return
 elif [ "$1" '==' "clean" ]; then

src/simulation/m_start_up.fpp

@@ -127,8 +127,6 @@ contains
         integer :: iostatus
             !! Integer to check iostat of file read
 
-        CHARACTER(len=511) :: CRAY_ACC_MODULE
-
         character(len=1000) :: line
 
         ! Namelist of the global parameters which may be specified by user
@@ -200,16 +198,6 @@ contains
             call s_mpi_abort(trim(file_path)//' is missing. Exiting ...')
         end if
 
-#ifdef _CRAYFTN
-#ifdef MFC_OpenACC
-        call get_environment_variable("CRAY_ACC_MODULE", CRAY_ACC_MODULE)
-
-        if (CRAY_ACC_MODULE == "") then
-            call s_mpi_abort("CRAY_ACC_MODULE is not set. Exiting...")
-        end if
-#endif
-#endif
-
     end subroutine s_read_input_file
 
     !> The goal of this procedure is to verify that each of the