Beginners Tutorial - Manual Installation Steps
IMPORTANT: These steps are a last resort and only for people who can not use the Virtual Machine. You do NOT have to execute these steps if you are using the Virtual Machine.
If you fail to use the virtual machine, there is still the option to manually download the materials and preparing your Linux/Unix/MacOS system.
Here is a minimal set of steps needed to create an environment similar to the VirtualBox image. Note that you will still have to install OVITO and other dependencies (compilers, cmake, etc.) manually.
# download tutorial material into home directory cd $HOME wget https://download.lammps.org/workshops/Aug21/tutorial/beginners_tutorial.tar.gz wget https://github.com/lammps/lammps/archive/refs/tags/patch_30Jul2021.tar.gz # extract downloaded content into $HOME tar xvzf beginners_tutorial.tar.gz tar xvzf patch_30Jul2021.tar.gz # rename extracted source code folder to $HOME/lammps mv lammps-patch_30Jul2021 lammps # modify environment # to make permanent put this at the end of $HOME/.bash_profile or $HOME/.bashrc # (recommended) export PATH=$HOME/tools/tutorial:$HOME/.local/bin:$PATH export LD_LIBRARY_PATH=$HOME/.local/lib64:$LD_LIBRARY_PATH
Finally, in our VM image LAMMPS was compiled and installed into
$HOME/.local using the following CMake steps:
cd $HOME/lammps mkdir build cd build cmake -C ../cmake/presets/most.cmake -D PKG_KIM=on -D BUILD_SHARED_LIBS=on -D LAMMPS_EXCEPTIONS=on ../cmake make -j 4 make install
On Windows, there is also the possibility to install precompiled Windows binaries. Both LAMMPS and Ovito have installer packages. To improve the command-line on Windows 10, try the Windows Terminal app.