IQmol isn't compatible with openbabel3. Latest 2.15.0 release (compiled
in Fedora) is missing in upstream's repository (but available for
Windows/Mac, Linux abandoned?)
On 11/6/21 14:01, Antonio T. sagitter wrote:
side-tag: f36-build-side-47471
On 11/5/21 21:33, Alexander Ploumistos wrote:
side-tag: f36-build-side-47471
On 11/5/21 21:33, Alexander Ploumistos wrote:
On Fri, Nov 5, 2021 at 9:23 PM Antonio T. sagitter
wrote:
On 10/24/21 15:11, Alexander Ploumistos wrote:
Hello Antonio,
On Sun, Oct 24, 2021 at 3:05 PM Antonio T. sagitter
wrote:
We are ready to push openbabel3
On Fri, Nov 5, 2021 at 9:23 PM Antonio T. sagitter
wrote:
>
> On 10/24/21 15:11, Alexander Ploumistos wrote:
> > Hello Antonio,
> >
> > On Sun, Oct 24, 2021 at 3:05 PM Antonio T. sagitter
> > wrote:
> >>
> >> We are ready to push openbabel3 in Rawhide
> >
> > Will it be just Rawhide? Will you
On 10/24/21 15:11, Alexander Ploumistos wrote:
Hello Antonio,
On Sun, Oct 24, 2021 at 3:05 PM Antonio T. sagitter
wrote:
We are ready to push openbabel3 in Rawhide
Will it be just Rawhide? Will you please let us know when the build is
done in order to rebuild dependent packages?
Within
On 10/24/21 15:11, Alexander Ploumistos wrote:
Hello Antonio,
Hi Alexander.
On Sun, Oct 24, 2021 at 3:05 PM Antonio T. sagitter
wrote:
We are ready to push openbabel3 in Rawhide
Will it be just Rawhide?
Yes.
Will you please let us know when the build is
done in order to rebuild
Hello Antonio,
On Sun, Oct 24, 2021 at 3:05 PM Antonio T. sagitter
wrote:
>
> We are ready to push openbabel3 in Rawhide
Will it be just Rawhide? Will you please let us know when the build is
done in order to rebuild dependent packages?
Are we saying goodbye to Avogadro 1.x?
Thank you for
Hi all.
We are ready to push openbabel3 in Rawhide, all packages (except
chemtool that requires openbabel in runtime) have been rebuilt:
https://copr.fedorainfracloud.org/coprs/sagitter/Openbabel-3/builds/
--
---
Antonio Trande
Fedora Project
mailto: sagit...@fedoraproject.org
GPG key:
Hi all.
Even Kalzium (new release) is rebuilt against openbabel3
--
---
Antonio Trande
Fedora Project
mailto: sagit...@fedoraproject.org
GPG key: 0x29FBC85D7A51CC2F
GPG key server: https://keyserver1.pgp.com/
OpenPGP_0x29FBC85D7A51CC2F.asc
Description: OpenPGP public key
OpenPGP_signature
On 9/26/21 05:07, Jerry James wrote:
> On Sat, Sep 25, 2021 at 5:10 PM Alexander Ploumistos
> wrote:
>> I built the latest avogadro2 and avogadro2-libs from the srpm in your
>> copr for F34 and I hit some graphical glitches again. On Wayland,
>> Avogadro2 for X11 has a transparent canvas, whereas
On Sun, Sep 26, 2021 at 12:59 PM Antonio T. sagitter
wrote:
>
> On 9/26/21 10:22, Antonio T. sagitter wrote:
> > I moved the openbabel's libraries under a private lib directory.
> > 'desktop' files are modified for working in this sense.
>
> Sorry, i meant gchemistry's libraries under a private
On 9/26/21 10:22, Antonio T. sagitter wrote:
On 9/26/21 01:10, Alexander Ploumistos wrote:
On Sat, Sep 25, 2021 at 5:05 PM Alexander Ploumistos
wrote:
I will try with a Fedora 34 VM later and report back.
I got pretty much the same results on F34.
I think xdrawchem works better with Open
I have rebuilt Avogadro2* against openbabel3
The package provides two desktop files, for Wayland and x11 with
different environment variables.
That was a bug:
https://github.com/OpenChemistry/avogadroapp/issues/167
I will apply the patch and try again.
On 9/25/21 17:05, Alexander Ploumistos
On 9/26/21 01:10, Alexander Ploumistos wrote:
On Sat, Sep 25, 2021 at 5:05 PM Alexander Ploumistos
wrote:
I will try with a Fedora 34 VM later and report back.
I got pretty much the same results on F34.
I think xdrawchem works better with Open Babel 3 than it does with
Open Babel 2, at
On Sat, Sep 25, 2021 at 08:07:20PM -0600, Jerry James wrote:
> On Sat, Sep 25, 2021 at 5:10 PM Alexander Ploumistos
> wrote:
> > I built the latest avogadro2 and avogadro2-libs from the srpm in your
> > copr for F34 and I hit some graphical glitches again. On Wayland,
> > Avogadro2 for X11 has a
On Sat, Sep 25, 2021 at 5:10 PM Alexander Ploumistos
wrote:
> I built the latest avogadro2 and avogadro2-libs from the srpm in your
> copr for F34 and I hit some graphical glitches again. On Wayland,
> Avogadro2 for X11 has a transparent canvas, whereas the other one (I
> guess Wayland) doesn't,
On Sat, Sep 25, 2021 at 5:05 PM Alexander Ploumistos
wrote:
>
> I will try with a Fedora 34 VM later and report back.
I got pretty much the same results on F34.
I think xdrawchem works better with Open Babel 3 than it does with
Open Babel 2, at least as far as structure cleanup goes (I installed
Hello Antonio,
On Fri, Sep 24, 2021 at 7:50 PM Antonio T. sagitter
wrote:
>
> Even the porting to openbabel3 of 'xdrawchem' is done.
> Please, can anyone that uses these software test them?
I spun up a Fedora 35 VM and installed everything from your copr,
didn't mess with any system settings.
Even the porting to openbabel3 of 'xdrawchem' is done.
Please, can anyone that uses these software test them?
https://copr.fedorainfracloud.org/coprs/sagitter/Openbabel-3/builds/
On 9/1/21 10:35, Mamoru TASAKA wrote:>
xdrawchem
https://github.com/bryanherger/xdrawchem/pull/17
Best regards.
'ghemical' and 'libghemical' should be okay, too.
On 9/1/21 10:35, Mamoru TASAKA wrote:
On 8/31/21 8:05 PM, Alexander Ploumistos wrote:
On Tue, Aug 31, 2021 at 6:08 PM Antonio T. sagitter
wrote:
On 8/31/21 5:27 PM, Alexander Ploumistos wrote:
We must decide if go forward with most
I have not used this patch for getting 'gnome-chemistry-utils' working
in x11 and Wayland:
diff --git a/programs/3d/main.cc b/programs/3d/main.cc
index 9bd59a4..aa18e3e 100644
--- a/programs/3d/main.cc
+++ b/programs/3d/main.cc
@@ -58,6 +58,7 @@ int main(int argc, char *argv[])
On Thu, Sep 23, 2021 at 3:37 PM Antonio T. sagitter
wrote:
>
> gnome-chemistry-utils is ready for openbabel3; it's in my Copr project.
Well done Antonio!
I will give it a try this weekend.
___
devel mailing list -- devel@lists.fedoraproject.org
To
gnome-chemistry-utils is ready for openbabel3; it's in my Copr project.
On 9/1/21 10:35, Mamoru TASAKA wrote:
gnome-chemistry-utils
debian says only a small modification is needed:
https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=946263#20
--
---
Antonio Trande
Fedora Project
mailto:
Hello Antonio,
On Fri, Sep 3, 2021 at 2:32 PM Antonio T. sagitter
wrote:
>
> Links of Copr projects to get srpms for testing:
>
> openbabel3-3.1.1:
> https://copr.fedorainfracloud.org/coprs/sagitter/Openbabel-3/
As expected, Molsketch had no problem with 3.1.1, it built fine.
I also played with
Hi Antonio,
On Wed, Sep 1, 2021 at 8:11 PM Antonio T. sagitter
wrote:
>
> 'openbabel2' and 'openbabel3' cannot co-exist if installed because they
> have same binary files, it's a "binary name conflicts".
>
> Is it acceptable an openbabel2/openbabel(3) conflict in Fedora?
I think that the people
'openbabel2' and 'openbabel3' cannot co-exist if installed because they
have same binary files, it's a "binary name conflicts".
Is it acceptable an openbabel2/openbabel(3) conflict in Fedora?
On 9/1/21 10:35 AM, Mamoru TASAKA wrote:
Antonio T. sagitter wrote on 2021/09/01 16:58:
You're
Antonio T. sagitter wrote on 2021/09/01 16:58:
You're right, i underestimated the issue.
Probably, Avogadro is not compatible with openbabel3 but Avogadro2 should be.
I try to keep a separated 'openbabel2' package as new rpm, and then upgrade
current 'openbabel' to the release 3+
Thank you.
You're right, i underestimated the issue.
Probably, Avogadro is not compatible with openbabel3 but Avogadro2
should be.
I try to keep a separated 'openbabel2' package as new rpm, and then
upgrade current 'openbabel' to the release 3+
Thank you.
On 8/31/21 8:05 PM, Alexander Ploumistos
On Tue, Aug 31, 2021 at 6:08 PM Antonio T. sagitter
wrote:
>
> On 8/31/21 5:27 PM, Alexander Ploumistos wrote:
> >
>
> We must decide if go forward with most recent software or stay stationary.
> Which software are not ready for openbabel-3 yet?
Almost two years ago (how time flies!), when the
On 8/31/21 5:27 PM, Alexander Ploumistos wrote:
Hello Antonio,
Hi Alexander.
On Tue, Aug 31, 2021 at 5:03 PM Antonio T. sagitter
wrote:
openbabel-3.1.1 is ready for Rawhide branch. 'libopenbabel' soname is
updated from 5 to 7, all dependent packages will need a rebuild at least:
What
Hello Antonio,
On Tue, Aug 31, 2021 at 5:03 PM Antonio T. sagitter
wrote:
>
> openbabel-3.1.1 is ready for Rawhide branch. 'libopenbabel' soname is
> updated from 5 to 7, all dependent packages will need a rebuild at least:
What about the packages that haven't been ported to work with Open
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