# Installation The `pylammpsmpi` package can be installed either via `pip` or `conda`. While the package itself is written in pure python and is therefore operation system independent, compiling the LAMMPS simulation code as library can be challenging in particular on Windows. To simplify the installation for Mac OS and Linux users, the LAMMPS simulation code is provided as `conda-forge` package. Consequently, the conda-based installation is recommended for `pylammpsmpi`. ## conda-based installation The `conda` package combines all dependencies in one package including the LAMMPS simulation code: ``` conda install -c conda-forge pylammpsmpi ``` When resolving the dependencies with `conda` gets slow it is recommended to use `mamba` instead of `conda`. So you can also install `pylammpsmpi` using: ``` mamba install -c conda-forge pylammpsmpi ``` ## pypi-based installation Alternatively, `pylammpsmpi` can also be installed from the python package index (pypi) using the following command: ``` pip install pylammpsmpi ``` This pypi package only contains the `pylammpsmpi` and the python dependencies it is build on, but it does not contain the LAMMPS simulation code. This installation is recommended for advanced users who want to optimize their installation for optimal performance, by compiling their own version of LAMMPS and `mpi4py` to match the MPI library on their computer of high performance computing (HPC) cluster.