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bug#40691: [PATCH v6 0/3] gnu: Add gromacs, tng & lmfit.
From: |
Ludovic Courtès |
Subject: |
bug#40691: [PATCH v6 0/3] gnu: Add gromacs, tng & lmfit. |
Date: |
Mon, 04 May 2020 10:40:33 +0200 |
User-agent: |
Gnus/5.13 (Gnus v5.13) Emacs/26.3 (gnu/linux) |
Hi Vincent,
Vincent Legoll <address@hidden> skribis:
>>> 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 a lot, applied! (Will push shortly.)
Ludo’.