pip install dynasor
conda install -c conda-forge dynasor
If you want to use the most recent (development) version you can clone the repository:
git clone https://gitlab.com/materials-modeling/dynasor.git
and subsequently install using the
setup.py script while standing in the
dynasor directory as follows:
pip install --user .
python3 setup.py install --user
dynasor requires Python 3.8+ and depends on the following libraries:
numba and icc_rt¶
dynasor employs numba for the efficient calculation of correlation functions.
To get the full benefit of using numba (see here) you need to install icc_rt, which can be installed using, e.g.,
icc_rt can lead to certain use cases running 5 to 10 times faster.
Note that there is an existing bug when installing icc_rt with
pip (see this github issue).
If you run
numba -s the ideal output is:
SVML State, config.USING_SVML : True
SVML Library Loaded : True
llvmlite Using SVML Patched LLVM : True
SVML Operational : True
If any of these are
False you might have to add the python library directory to your
For example if you installed
numba in your local user-owned python directotry, the following line could work:
If this does not resolve the issue or if want to read up on the background you may want to consult the aforementioned github issue.