GNU bug report logs - #76728
[PATCH] gnu: avogadro2: fix open babel input

Previous Next

To reply to this bug, email your comments to 76728 AT debbugs.gnu.org.

Toggle the display of automated, internal messages from the tracker.

Message #5 received at submit <at> debbugs.gnu.org (full text, mbox):

From: Jakob Kirsch <jakob.kirsch <at> web.de>
To: guix-patches <at> gnu.org
Subject: [PATCH] gnu: avogadro2: fix open babel input
Date: Tue, 4 Mar 2025 01:47:17 +0100

[Message part 1 (text/plain, inline)]

avogadro2 needs open babel at runtime so we should add this to the propagated inputs.

[v1-0001-gnu-avogadro2-Update-to-1.93.0.patch (text/plain, attachment)]

Message #8 received at 76728 <at> debbugs.gnu.org (full text, mbox):

From: Z572 <z572 <at> z572.online>
To: Jakob Kirsch via Guix-patches via <guix-patches <at> gnu.org>
Cc: Jakob Kirsch <jakob.kirsch <at> web.de>, 76728 <at> debbugs.gnu.org
Subject: Re: [bug#76728] [PATCH] gnu: avogadro2: fix open babel input
Date: Tue, 04 Mar 2025 11:18:34 +0800

[Message part 1 (text/plain, inline)]

Jakob Kirsch via Guix-patches via <guix-patches <at> gnu.org> writes:

> avogadro2 needs open babel at runtime so we should add this to the propagated inputs.
>
> [2. text/plain; v1-0001-gnu-avogadro2-Update-to-1.93.0.patch]...

I think wrapper might be better, if it's just an application.

[signature.asc (application/pgp-signature, inline)]

Message #14 received at 76728 <at> debbugs.gnu.org (full text, mbox):

From: Jakob Kirsch <jakob.kirsch <at> web.de>
To: 76728 <at> debbugs.gnu.org
Subject: [PATCH] v2
Date: Tue, 4 Mar 2025 20:16:26 +0100

[Message part 1 (text/plain, inline)]

This is the v2 with wrap-program instead of propagated-inputs.

[v2-0001-gnu-avogadro2-Update-to-1.93.0.patch (text/plain, attachment)]

Message #17 received at 76728 <at> debbugs.gnu.org (full text, mbox):

From: Jakob Kirsch <jakob.kirsch <at> web.de>
To: 76728 <at> debbugs.gnu.org
Subject: New patch
Date: Thu, 6 Mar 2025 15:53:25 +0100

[Message part 1 (text/plain, inline)]

Since we're rebuilding avogadro2, we might as well update it to the new version.
Btw etc/committer.scm is broken with this patch so the merger would have to properly format the commits or fix the committer.

[v1-0001-Update-avogadro2-to-1.100.patch (text/plain, attachment)]

Message #20 received at 76728 <at> debbugs.gnu.org (full text, mbox):

From: Jakob Kirsch <jakob.kirsch <at> web.de>
To: 76728 <at> debbugs.gnu.org
Date: Thu, 6 Mar 2025 15:57:54 +0100

This is still WIP as some things are broken like:
* icons don't render
* openbabel optimization is broken with DNA

Message #23 received at 76728 <at> debbugs.gnu.org (full text, mbox):

From: Jakob Kirsch <jakob.kirsch <at> web.de>
To: 76728 <at> debbugs.gnu.org
Subject: PATCH v2
Date: Fri, 7 Mar 2025 20:37:17 +0100

[Message part 1 (text/plain, inline)]

I changed some stuff (don't remember what tho). Still WIP.

[v2-0001-Update-avogadro2-to-1.100.patch (text/plain, attachment)]

Message #26 received at 76728 <at> debbugs.gnu.org (full text, mbox):

From: Andreas Enge <andreas <at> enge.fr>
To: Jakob Kirsch <jakob.kirsch <at> web.de>
Cc: bavier <at> posteo.net, sharlatanus <at> gmail.com, 76728 <at> debbugs.gnu.org
Subject: Re: PATCH v2
Date: Tue, 8 Apr 2025 13:09:28 +0200

Hello Jakob,

Am Fri, Mar 07, 2025 at 08:37:17PM +0100 schrieb Jakob Kirsch:
> I changed some stuff (don't remember what tho). Still WIP.

are you still progressing, or should we close this issue?

Andreas

Previous Next

GNU bug tracking system
Copyright (C) 1999 Darren O. Benham, 1997,2003 nCipher Corporation Ltd, 1994-97 Ian Jackson.