Licenses of ase and lammps

Hi lammps-users,

This discussion has come up several times before, but I think it didn't really reach a conclusion: http://lammps.sandia.gov/threads/msg37879.html

ASE (https://wiki.fysik.dtu.dk/ase/) is a Python library for atomistic simulations, available under LGPL.

LAMMPS, as we know, is licensed under GPL.

There exists an ASE interface 'lammpslib.py' that uses the Python interface included with LAMMPS. This file was originally separated from the main ASE distribution (https://svn.fysik.dtu.dk/projects/ase-extra/trunk/) as it was understood that by using 'import lammps' in the code it would be "linking" to GPL code, which would require that interface to also be GPL.

Since that time, it appears the developers now agree with Fedora in that the "linking" case does not apply for an interpreted language like Python and that there should be no issues distributing code with 'import lammps' as LGPL (https://wiki.fysik.dtu.dk/ase/development/licenseinfo.html?what-happens-when-ase-calculators-are-under-another-license#what-happens-when-ase-calculators-are-under-another-license).

So I'm asking whether the LAMMPS developers would have any issue with the 'lammpslib.py' being included in the ASE distribution. Feel free to also add any comments or opinions on the issue that I created for ASE https://gitlab.com/ase/ase/issues/37.

Thanks,

Tom Daff
Engineering
University of Cambridge

Hi lammps-users,

This discussion has come up several times before, but I think it didn't really reach a conclusion: http://lammps.sandia.gov/threads/msg37879.html

ASE (https://wiki.fysik.dtu.dk/ase/) is a Python library for atomistic simulations, available under LGPL.

LAMMPS, as we know, is licensed under GPL.

There exists an ASE interface 'lammpslib.py' that uses the Python interface included with LAMMPS. This file was originally separated from the main ASE distribution (https://svn.fysik.dtu.dk/projects/ase-extra/trunk/) as it was understood that by using 'import lammps' in the code it would be "linking" to GPL code, which would require that interface to also be GPL.

Since that time, it appears the developers now agree with Fedora in that the "linking" case does not apply for an interpreted language like Python and that there should be no issues distributing code with 'import lammps' as LGPL (https://wiki.fysik.dtu.dk/ase/development/licenseinfo.html?what-happens-when-ase-calculators-are-under-another-license#what-happens-when-ase-calculators-are-under-another-license).

So I'm asking whether the LAMMPS developers would have any issue with the 'lammpslib.py' being included in the ASE distribution. Feel free to also add any comments or opinions on the issue that I created for ASE https://gitlab.com/ase/ase/issues/37.

steve will have the final call on this.

but the general consensus among LAMMPS developers is to make it easier
to interface codes to LAMMPS and LAMMPS to other codes. there is also
the intention to switch at some point to LGPL specifically to better
support high-level modeling environments like ASE and graphical
frontends. however, given the age of the project and the many
contributions, you can imagine that this is a significant undertaking.

best regards,
      axel.

So I’m asking whether the LAMMPS developers would have any issue with the ‘lammpslib.py’ being >included in the ASE distribution.>

Hi Tom - sounds fine to me. Thanks for asking.

If there is a blurb of text and links (pics are bonus) that you want

to provide for ASE + LAMMPS, we’d be happy to

advertise it on the LAMMPS site, from one of these links:

http://lammps.sandia.gov/prepost.html
http://lammps.sandia.gov/offsite.html

Steve

Hi,

Thank you both for your replies!

Tom