[lammps-users] New experimental LAMMPS packages for Windows with Python included

Hi Everybody,

there are new experimental Windows installer packages available on:
https://rpm.lammps.org/windows/lammps-testing/

There are versions with Python in the name. Those now include the PYTHON module and thus also include a Python runtime (with NumPy included). These should be able to run all examples in the examples/python folder.
It should still be possible to import that LAMMPS python module into a separate local Python installation, but for using the python command and the python pair style and the python fixes require the bundled python and its runtime.

This version has the latest updates and bugfixes for the GPU package included, especially for using OpenCL with Intel and AMD GPUs.

In addition, there are 3 new packages included: the USER-PACE and USER-HDNNP package, which are new machine learning potential pair styles, and the USER-MDI package which allows coupling of LAMMPS to other supported molecular calculation executables via the MolSSI driver interface (MDI).

We are making these available ahead of a new release because we urgently need feedback from people testing those new and updated features on as many different Windows versions and environments as possible since enabling the new features required some fundamental changes to how the package is compiled. By testing those packages and providing feedback, you help your fellow LAMMPS users to make certain the next regular release will be working properly.

Thanks in advance,
Axel.

There are updated windows packages available that address issues with the previous ones.
Please give it a try and report (new) problems while I try to improve the installer script itself.

Thanks,
Axel.