End-to-end Compilation Examples

RHEL9

On RHEL9, Dakota can be built using tools and libraries available from the repos.

1. Determine whether the required repositories are enabled on your system. You must have baseos, appstream, and codeready-builder.

   dnf repolist
   

   Enable any that are missing, e.g.:

   sudo subscription-manager repos --enable codeready-builder-for-rhel-9-$(arch)-rpms
   

2. Install required packages:

   sudo dnf install git make cmake gcc gcc-c++ gcc-gfortran perl python3 blas-devel lapack-devel boost-devel openmpi-devel atlas-devel
   

3. Obtain Dakota source and unpack it. Alongside the source folder, create a build folder.

4. Change to the build folder and configure. In the command below, $DAK_INSTALL is the desired installation location and $DAK_SOURCE is the path to the unpacked source.

   cmake -DCMAKE_INSTALL_PREFIX=$DAK_INSTALL
         -DDAKOTA_HAVE_MPI=ON \
         -DMPI_CXX_COMPILER=/usr/lib64/openmpi/bin/mpicxx \
         -DBLAS_LIBS=/usr/lib64/atlas/libsatlas.so \
         -DLAPACK_LIBS=/usr/lib64/atlas/libsatlas.so \
         -DDAKOTA_HAVE_HDF5=ON \
         -DHAVE_MUQ=ON \
         -DDAKOTA_JAVA_SURROGATES=ON \
         -DDAKOTA_PYTHON=ON \
         -DDAKOTA_PYTHON_DIRECT_INTERFACE=ON \
         -DDAKOTA_PYTHON_DIRECT_INTERFACE_NUMPY=ON \
         -DDAKOTA_PYTHON_SURROGATES=ON \
         -DDAKOTA_PYTHON_WRAPPER=ON \
         -DDAKOTA_HAVE_GSL=ON \
         -DHAVE_QUESO=ON \
         ../$DAK_SOURCE
   

5. Build and install:

   make install
   

6. Set the paths. In the instructions below, $DAK_INSTALL refers to the Dakota installation path you specified for the variable CMAKE_INSTALL_PREFIX during the configure step.

   export PATH=$DAK_INSTALL/bin:$DAK_INSTALL/share/dakota/test:$PATH
   export PYTHONPATH=$DAK_INSTALL/share/dakota/Python:$PYTHONPATH
   

7. Test that Dakota is working, eg

   which dakota
   dakota -v
   

These should return the path to the dakota executable and a couple of lines of text indicating the version of dakota built, respectively.

RHEL7

The following are instructions for building Dakota on a Redhat 7 platform in a Bash shell.

1. Install the recommended version of CMake, and ensure it is in your $PATH.

2. Extract Dakota source archive file. In the example below, Dakota will be extracted into the user’s home directory, /home/username.

   cd $HOME
   tar xzvf /path/to/dakota-<release>.src.tar.gz
   

You will see a new directory, /home/username/dakota-<release>.<platform>. In the instructions below, $DAK_SOURCE refers to this directory.

export DAK_SRC=$HOME/dakota-<release>.<platform>

3. Create separate build directory, e.g. $HOME/dakota-build. In the instructions below, $DAK_BUILD refers to the directory that you create for CMake to configure and build Dakota.

   mkdir -p /path/to/Dakota/build/directory
   export DAK_BUILD=/path/to/Dakota/build/directory
   

4. Make a copy of the template BuildDakotaTemplate.cmake to customize a CMake Dakota build for your platform. Keep the file in the $DAK_SOURCE/cmake directory to use for subsequent Dakota CMake builds.

   cp $DAK_SOURCE/cmake/examples/BuildDakotaTemplate.cmake $DAK_SOURCE/cmake/BuildDakotaCustom.cmake
   

5. Update $DAK_SOURCE/cmake/BuildDakotaCustom.cmake file to reflect your platform configuration. Instructions are provided in that file.

As an example, consider the need to specify a custom location for the Boost 1.69 library, eg in /extra/boost_1_69_0. The appropriate lines to uncomment and modify in the BuildDakotaCustom.cmake file are these:

set(BOOST_ROOT
    "/extra/boost_1_69_0"
    CACHE PATH "Use non-standard Boost install" FORCE)
set( Boost_NO_SYSTEM_PATHS TRUE
     CACHE BOOL "Supress search paths other than BOOST_ROOT" FORCE)

Consider also specifying a custom location for the Dakota installation artifacts, eg:

set( CMAKE_INSTALL_PREFIX
     "~/temp/dakota-installation"
     CACHE PATH "Path to Dakota installation" )

6. Configure and build Dakota.

   cd $DAK_BUILD
   cmake -C $DAK_SOURCE/cmake/BuildDakotaCustom.cmake $DAK_SOURCE
   make [-j#]
   make install
   

7. Set the paths. In the instructions below, $DAK_INSTALL refers to the Dakota installation path you specified for the variable CMAKE_INSTALL_PREFIX in your BuildCustom.cmake file.

   export PATH=$DAK_INSTALL/bin:$DAK_INSTALL/share/dakota/test:$PATH
   export PYTHONPATH=$DAK_INSTALL/share/dakota/Python:$PYTHONPATH
   

8. Test that Dakota is working, eg

   which dakota
   dakota -v
   

These should return the path to the dakota executable and a couple of lines of text indicating the version of dakota built, respectively.

Note

The following tips apply to all types of builds:

• make [-j#]: Dakota supports concurrent build processes

• make install requires write privileges in CMAKE_INSTALL_PREFIX.

• Executing cmake without any options will result in an attempt to build with as many vendor algorithms and packages as are available in the distribution. See options in Dakota Features to turn off features.

• Once make has successfully completed, the generated Dakota executables (dakota and dakota_restart_util) will reside in $DAK_BUILD/src. If make install is invoked, copies of the executables will be placed in CMAKE_INSTALL_PREFIX/bin and copies of the libraries (libdakota.a, etc.) are placed in CMAKE_INSTALL_PREFIX/lib. You may set CMAKE_INSTALL_PREFIX in BuildDakotaCustom.cmake.

MacOS

A terse example of how to build at the command line using the mixed system Clang plus Homebrew gfortran example

cmake -D CMAKE_C_COMPILER=clang -D CMAKE_CXX_COMPILER=clang++ -D CMAKE_Fortran_COMPILER=gfortran \
-D BOOST_ROOT:PATH=/usr/local -D DAKOTA_HAVE_MPI:BOOL=TRUE \
-D HAVE_QUESO:BOOL=TRUE -D DAKOTA_HAVE_GSL:BOOL=TRUE
-D DAKOTA_HAVE_HDF5:BOOL=TRUE ../source

make -j 4

Windows 10

A terse example of how to build using the Windows example environment. Representative paths to installed libraries are shown in the configuration commands below.

In a command prompt (alternately can of course make CMake settings via the GUI or a cache initialization file):

cmake.exe -G "Visual Studio 16 2019" -A x64 ^
-D BLAS_LIBS=C:/local/64bit/lapack/3.10.1/static/lib/BLAS.lib -D LAPACK_LIBS=C:/local/64bit/lapack/3.10.1/static/lib/LAPACK.lib ^
-D Boost_INCLUDE_DIR=C:/local/64bit/boost_1_71_0 -D Boost_LIBRARY_DIR=C:/local/64bit/boost_1_71_0/lib64-msvc-14.2 ^
-D BUILD_SHARED_LIBS=FALSE ^
-DDAKOTA_HAVE_HDF5:BOOL=TRUE -DHDF5_USE_STATIC_LIBRARIES:BOOL=TRUE -DHDF5_ROOT="C:/local/64bit/hdf5.static.nozlib/1.10.8" ^
-D DAKOTA_PYTHON_DIRECT_INTERFACE:BOOL=TRUE -D DAKOTA_PYTHON_DIRECT_INTERFACE_NUMPY:BOOL=FALSE -D DAKOTA_PYTHON_SURROGATES:BOOL=FALSE ^
../source

Then:

1. Open the Visual Studio solution file Dakota.sln in Visual Studio

2. Choose a build configuration, e.g., Release or Debug, using Configuration Manager

3. Build the ALL_BUILD and optionally INSTALL or PACKAGE targets

Alternately the build can be driven with nmake, devenv, or cmake --build with appropriate arguments.