Installation
The first step in the installation of ESPResSo++ is to download the latest release from the following location:
On the command line type:
tar -xzf espressopp-latest.tgz
This will create a subdirectory espressopp-latest
Enter this subdirectory
cd espressopp-latest
ESPResSo++ requires Python 3.7 or newer. All required Python packages are listed in requirements.txt. You can install them via:
pip3 install -r requirements.txt
Create the Makefiles using the cmake command. If you don’t have it yet, you have to install it first. It is available for all major Linux distributions and also for Mac OS X. (ubuntu,debian: “apt-get install cmake” or get it from http://www.cmake.org )
cmake -B builddir .
(the space and dot after cmake are necessary)
If cmake doesn’t finish successfully (e.g. it didn’t find all the libraries) you can tell cmake manually, where to find them by typing:
ccmake -B builddir .
This will open an interactive page where all configuration information can be specified.
After successfully building all the Makefiles you should build ESPResSo++ with:
cmake --build builddir
(This will take several minutes)
After successfully building ESPResSo++ add the build directory to your PYTHONPATH:
export PYTHONPATH=$PWD/builddir${PYTHONPATH:+:$PYTHONPATH}
In order to use matplotlib.pyplot for graphical output get the open source code from:
and follow the installation instructions of your distribution.