LAMMPS in Linux distributions

Hi everybody,

I have two questions to ask,

  1. Is there any Linux distribution with a LAMMPS package in its repositories?

  2. In order to automatize the compilation process on my Arch Linux box, I did a simple PKGBUILD script, which can be used to generate a package and be distributed (at http://aur.archlinux.org) like a Slackbuild package.
    In case I want to make it public, can I pack it with a copy of LAMMPS source code or should I ask the user to download it directly from the website?

Thanks in advice,
Felipe.

Hi everybody,

I have two questions to ask,

1. Is there any Linux distribution with a LAMMPS package in its
repositories?

none that i know of. however, it is fairly easy to have a customized
makefile and a list of dependencies. since lammps is continually
updated, it appears to be more effective for most cases that people
can recompile the latest version with all bugfixes included at any
time. to do a distribution package, one would have to become a
maintainer of such a package.

2. In order to automatize the compilation process on my Arch Linux box, I
did a simple PKGBUILD script, which can be used to generate a package and be
distributed (at http://aur.archlinux.org) like a Slackbuild package.
In case I want to make it public, can I pack it with a copy of LAMMPS source
code or should I ask the user to download it directly from the website?

LAMMPS is under GPL, so if you make binaries available, you have
to make the source code available, too. however, if the changes required
are small, you can also refer people to the LAMMPS website and only
post the modifications/additions.

the biggest problem with LAMMPS binaries is, that they depend on
an MPI library and that usually ties the binary to the specific machine
it was compiled on. it is only with OpenMPI 1.2 and later, that the
ABI of the MPI library can be set up in such a way, that the resulting
binaries would work on other OpenMPI systems with a same version
or newer OpenMPI installation.

cheers,
    axel.