Subject: [bug#40691] [PATCH 3/3] gnu: Add gromacs.

From: Ludovic Courtès <[email-masked]>
Date: Sun, 03 May 2020 12:46:36 +0200

Vincent Legoll <[email-masked]> skribis:

> * gnu/packages/bioinformatics.scm (gromacs): New variable.
> * gnu/packages/patches/gromacs-tinyxml2.patch: New file...
> * gnu/local.mk (dist_patch_DATA): ...add it here.

I wonder if chemistry.scm would be more appropriate, WDYT?

> --- /dev/null
> +++ b/gnu/packages/patches/gromacs-tinyxml2.patch
> @@ -0,0 +1,50 @@

Could you add one or two sentences at the top of the file explaining
what it does and what its upstream status is?  It’s not obvious why the
reference data needs to be adjusted as a consequence of unbundling
tinyxml2.

That’s it!

Could you send updated patches?  I’ll be happy to commit them.  :-)

Thank you for all the work!

Ludo’.