The following tools and libraries, including header files, are required to be able to compile and use ESPResSo 4.0. Read the Installation instructions for the requirements.
The build system is based on CMake.
- C++ Compiler
C++11 capable C++ compiler (e.g., Gcc 4.8.1 or later).
A number of advanced C++ features used by ESPResSo is provided by Boost.
For some algorithms, ESPResSo needs the FFTW library for Fourier transforms version 3 or later for Fourier transforms, including header files.
Because ESPResSo is parallelized with MPI, you need a working MPI environment that implements the MPI standard version 1.2.
ESPResSo uses a Python scripting interface. Both, Python 2 and 3 are supported.
Cython is used for connecting the C++ core to Python.
- We do not support Windows OSes.