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The following tools and libraries, including header files, are required to be able to compile and use ESPResSo 4.1. Read the Installation instructions for the requirements.

  • CMake
    The build system is based on CMake.
  • C++ Compiler
    C++14 capable C++ compiler (e.g., GCC 5 or later).
  • Boost
    A number of advanced C++ features used by ESPResSo is provided by Boost.
  • FFTW
    For some algorithms,  ESPResSo needs the FFTW library for Fourier transforms version 3 or later for Fourier transforms, including header files.
  • MPI
    Because ESPResSo is parallelized with MPI, you need a working MPI environment that implements the MPI standard version 1.2.
  • Python
    ESPResSo uses a Python scripting interface. Only Python 3 is supported.
  • Cython
    Cython is used for connecting the C++ core to Python.
  • We do not support Windows OSes.