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From: "Ludovic Courtès" <ludo@gnu.org>
To: Vincent Legoll <vincent.legoll@gmail.com>
Cc: 40691-done@debbugs.gnu.org
Subject: bug#40691: [PATCH v6 0/3] gnu: Add gromacs, tng & lmfit.
Date: Mon, 04 May 2020 10:40:33 +0200	[thread overview]
Message-ID: <87k11st7ni.fsf@gnu.org> (raw)
In-Reply-To: <aacb9fad-5901-7907-92f6-e5bcef2b7248@gmail.com> (Vincent Legoll's message of "Mon, 4 May 2020 00:31:34 +0200")

Hi Vincent,

Vincent Legoll <vincent.legoll@gmail.com> 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’.




  reply	other threads:[~2020-05-04  8:41 UTC|newest]

Thread overview: 30+ messages / expand[flat|nested]  mbox.gz  Atom feed  top
2020-04-17 22:22 [bug#40691] [PATCH 0/1] gnu: Add gromacs Vincent Legoll
2020-04-17 22:24 ` [bug#40691] [PATCH] " Vincent Legoll
2020-04-17 22:48 ` [bug#40691] gromacs - WIP, submitted Vincent Legoll
2020-04-19 22:19 ` [bug#40691] [PATCH 0/1] gnu: Add gromacs Ludovic Courtès
2020-04-20 22:15   ` [bug#40691] [PATCH v2 1/1] " Vincent Legoll
2020-04-22 15:38     ` Ludovic Courtès
2020-04-23 13:07       ` [bug#40691] [PATCH v3 " Vincent Legoll
2020-04-23 19:52         ` Ludovic Courtès
2020-05-01 22:30           ` Vincent Legoll
2020-05-02 13:35             ` Ludovic Courtès
2020-05-02 13:46           ` [bug#40691] [PATCH v4 0/3] gnu: Add gromacs, tng & lmfit Vincent Legoll
2020-05-03 10:39             ` Ludovic Courtès
2020-05-03 22:31               ` [bug#40691] [PATCH v6 " Vincent Legoll
2020-05-04  8:40                 ` Ludovic Courtès [this message]
2020-05-02 13:48 ` [bug#40691] [PATCH 1/3] gnu: Add tng Vincent Legoll
2020-05-02 13:48   ` [bug#40691] [PATCH 2/3] gnu: Add lmfit Vincent Legoll
2020-05-02 13:48   ` [bug#40691] [PATCH 3/3] gnu: Add gromacs Vincent Legoll
2020-05-02 13:53   ` [bug#40691] [PATCH v4 0/3]: " Vincent Legoll
2020-05-02 16:43 ` [bug#40691] [PATCH 1/3] gnu: Add tng Vincent Legoll
2020-05-02 16:43   ` [bug#40691] [PATCH 2/3] gnu: Add lmfit Vincent Legoll
2020-05-03 10:43     ` Ludovic Courtès
2020-05-02 16:43   ` [bug#40691] [PATCH 3/3] gnu: Add gromacs Vincent Legoll
2020-05-03 10:46     ` Ludovic Courtès
2020-05-03 10:41   ` [bug#40691] [PATCH 1/3] gnu: Add tng Ludovic Courtès
2020-05-03 22:32 ` Vincent Legoll
2020-05-03 22:32   ` [bug#40691] [PATCH 2/3] gnu: Add lmfit Vincent Legoll
2020-05-03 22:32   ` [bug#40691] [PATCH 3/3] gnu: Add gromacs Vincent Legoll
2020-05-03 22:39     ` Vincent Legoll
2020-05-03 22:39 ` [bug#40691] [PATCH] " Vincent Legoll
2020-05-05 21:27 ` [bug#40691] Upstream patches are being merged Vincent Legoll

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