Stable versions of dynasor are provided via PyPI and as part of conda-forge.
This implies that dynasor can be installed using
pip install dynasor
conda install -c conda-forge dynasor
dynasor requires Python 3.6 or higher, numpy, as well as a C99-complient C-compiler.
If installation via
pip fails or if you want to use the most recent
(development) version you can clone the repository and install using the
setup.py script as follows:
git clone firstname.lastname@example.org:materials-modeling/dynasor.git
or in the form of a tarball or zip-archive. On nix systems, compilation is usually staightforward after cloning the repository and merely requires executing the following commands on the command line:
cd dynasor python3 setup.py install --prefix=<build-path>
In case the compilation fails, one should check the settings in the
After a successful compilation the binary can be found in
<build-path>/bin whereas the libraries are located in
<build-path>/lib. One now ought to update the
as well as the
X.Y denotes the Python version. If
dynasor is used repeatedly it is a good idea to add these
commands to the
.bashrc file (or equivalent).