[bug#40691] [PATCH v6 0/3] gnu: Add gromacs, tng & lmfit.

[Vincent Legoll]

Hello Ludo,

I removed the leftover scm code that was duplicating what is now
in the patch, and added a patch header explaining what's going on.

> > Vmd_molfile source is behind a registration-only web form, I'm
> > not going there.
>
> Sounds reasonable: the headers say it’s part of Gromacs, and it’s
> definitely free software, so it’s OK to keep it here.

Added comment.

> > Thread_mpi looks like it is made to be bundled like that, and
> > is part of the parallelizing of gromacs which is above my
> > level of understanding (I'm only trying to package it, I'm not
> > a user). More info here:
>
> Sounds good.  Perhaps a comment in the code to state that would be
> welcome, for our future selves.

Added comment.

Put tng & gromacs in chemistry.scm, in fact gromacs sci domain is
chemistry, even if also used in bioinfo. Added more comments for
patch & still bundled 3rdparties.

Moved lmfit to algebra.scm, shortened synopsis.

I think I fixed all review comments.

Thanks, patches follow.

--
Vincent Legoll