TRIQS/nda 2.0.0
Multi-dimensional array library for C++
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Installation

nda supports the usual installation procedure using CMake.

If you want to skip the installation step, you can go directly to Integration in C++ projects to see how you can integrate nda into your own C++ project by using CMake's FetchContent.

Note: To guarantee reproducibility in scientific calculations, we strongly recommend the use of a stable release version.

Dependencies

The required dependencies of the C++ nda library are:

  • C++20 compatible compiler
  • CMake version 3.20
  • a BLAS/LAPACK implementation (e.g. oneMKL or OpenBLAS)

We do not provide explicit version requirements. Instead, we refer the user to the nda CI builds on GitHub Actions, where recent OS and compiler versions are tested.

The following dependencies are optional and enabled by default. They can be turned off via the corresponding CMake option (see Custom CMake options):

  • HDF5 library version 1.8.2 or later — for reading/writing arrays to/from HDF5 files (disable with -DHDF5Support=OFF)
  • a working MPI implementation, e.g. openmpi or Intel MPI — for distributed-memory parallelism (disable with -DMPISupport=OFF)
  • OpenMP — for shared-memory parallelism (disable with -DOpenMPSupport=OFF)
  • CUDA Toolkit — for GPU support (enable with -DCudaSupport=ON)
  • MAGMA — for some specific matrix operations on the GPU (enable with -DUse_Magma=ON)

nda also depends on the following TRIQS libraries, which are fetched and built automatically (unless the user explicitly tells CMake to use local installations instead):

Installation steps

  1. Download the source code of the latest stable version by cloning the TRIQS/nda repository from GitHub:

    $ git clone https://github.com/TRIQS/nda nda.src

  2. Create and move to a new directory where you will compile the code:

    $ mkdir nda.build && cd nda.build

  3. In the build directory, call cmake including any additional custom CMake options (see below):

    $ cmake ../nda.src -DCMAKE_INSTALL_PREFIX=path_to_install_dir

    Note that it is required to specify CMAKE_INSTALL_PREFIX, otherwise CMake will stop with an error.

  4. Compile the code, run the tests and install the application:

    $ make -j N
    $ make test
    $ make install

    Replace N with the number of cores you want to use to build the library.

Versions

To choose a particular version, go into the directory with the sources, and look at all available versions:

$ cd nda.src && git tag

Checkout the version of the code that you want:

$ git checkout 2.0.0

and follow steps 2 to 4 above to compile the code.

Custom CMake options

The compilation of nda can be configured by calling cmake with additional command line options

$ cmake ../nda.src -DCMAKE_INSTALL_PREFIX=path_to_install_dir -DOPTION1=value1 -DOPTION2=value2 ...

The following options are available:

Install and build basics

Option Description Default
CMAKE_INSTALL_PREFIX=path Installation path (required) —
CMAKE_BUILD_TYPE=type Build type (Release, Debug, RelWithDebInfo, …) Release
BUILD_SHARED_LIBS=ON/OFF Build shared libraries OFF

Optional features

Option Description Default
HDF5Support=ON/OFF Build with HDF5 support ON
MPISupport=ON/OFF Build with MPI support ON
OpenMPSupport=ON/OFF Build with OpenMP support ON
PythonSupport=ON/OFF Build Python bindings OFF
CudaSupport=ON/OFF Build with CUDA (GPU) support OFF
Use_Magma=ON/OFF Enable batched GEMM via MAGMA OFF

Tests, benchmarks and documentation

Option Description Default
Build_Tests=ON/OFF Build the unit tests (not recommended to disable) ON
Build_SSO_Tests=ON/OFF Build the SSO / custom-allocator test variants OFF
Build_c2py_clair_Tests=ON/OFF Build cpp2py/clair converter tests OFF
Build_Benchs=ON/OFF Build the benchmarks OFF
Build_Documentation=ON/OFF Build the Doxygen documentation OFF

Static analysis and sanitizers (developer use; require Clang/LLVM)

Option Description Default
ANALYZE_SOURCES=ON/OFF Run static analyzers (clang-tidy, cppcheck) during build OFF
ASAN=ON/OFF Build with LLVM Address Sanitizer OFF
UBSAN=ON/OFF Build with LLVM Undefined Behavior Sanitizer OFF
MSAN=ON/OFF Build with LLVM Memory Sanitizer OFF
TSAN=ON/OFF Build with LLVM Thread Sanitizer OFF