Package Details: avogadroapp 1.97.0-3

Git Clone URL: https://aur.archlinux.org/avogadroapp.git (read-only, click to copy)
Package Base: avogadroapp
Description: An advanced molecular editor
Upstream URL: https://two.avogadro.cc
Keywords: avogadro chemistry compchem cross-platform desktop hacktoberfest open-science openchemistry qt5 visualization
Licenses: BSD
Provides: avogadro2
Submitter: a.kudelin
Maintainer: vitor_hideyoshi
Last Packager: vitor_hideyoshi
Votes: 5
Popularity: 0.38
First Submitted: 2020-03-28 08:13 (UTC)
Last Updated: 2022-09-29 21:46 (UTC)

Latest Comments

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archuser2021 commented on 2022-11-04 13:52 (UTC)

Not sure if it is just me or the "Plot XRD pattern" function in "Crystal" menu does not work. I have installed genxrdpattern package from Extra repo (which should be one of the optional deps I think) but it still does not plot anything when called. Can anyone verify this?

vitor_hideyoshi commented on 2022-09-29 21:35 (UTC) (edited on 2022-09-29 21:43 (UTC) by vitor_hideyoshi)

@Whitie i will be checking the necessity of the git package as a make dependency, thank you for pointing this issue.

EDIT: As mentioned by @Whitie, git was indeed a make dependency and as such was added to de PKGBUILD.

vitor_hideyoshi commented on 2022-09-29 21:33 (UTC)

@David01 on the topic of your error you should open a Issue in the repository of the project, the AUR is only for packaging and i am not the owner of the project i only package it for distribution.

David01 commented on 2022-08-19 04:44 (UTC)

@vitor_hideyoshi @a.kudelin Dear Community, thanks a lot for maintaining this package. It seems that since last update something broke: when one wants to optimize geometry with force field there is this error. Steps to reproduce:

1. Launch avogadro2

2. Click on "Draw tool"

3. In the left panel menu, "Element", select "Carbon (6)", and draw a CH4 molecule.

4. Click on "Extensions" > "Open Babel" > "Configure Force Field"
Select "UFF" Force field, "Conjugate Gradient", "Simple" technique,
Select "Energy convergence to 10 ^-4 units" and
"Step limit to 2000 steps"

5. Click "Ok".

6. Click on "Extensions" > "Open Babel" > "Optimize Geometry"

A window prompts with this error: "Error interpreting Open Babel output."

I have the latest extra/openbabel 3.1.1-4 installed and updated.

Any other operations that depend on openbabel do work, for instance:

i) Click on "Molecule" and saving as cif or mopin, or

ii) Click on View" > "Color Atoms" > "By Partial Charge" > Select OK in the prompt window and generating the color charges.

Whitie commented on 2022-05-22 08:20 (UTC) (edited on 2022-05-22 08:21 (UTC) by Whitie)

Without git I get the following error:

  CMake Error at /usr/share/cmake/Modules/ExternalProject.cmake:2540 (message):
  error: could not find git for clone of i18n

malacology commented on 2021-11-06 00:11 (UTC)

git should be removed from the makedepends.

hiwigiwi commented on 2021-09-04 17:28 (UTC)

@a.kudelin I hadn't! I had 1.94 installed, eventhough 1.95 was already in the Arch repo. I learned that there is a delay to get these packages also into the Manjaro repo. Now I got avogadrolibs 1.95 and avogadroapp builds successfully! Thanks or your help!

a.kudelin commented on 2021-09-01 11:05 (UTC)

@hiwigiwi @hmcezar
Do you have avogadrolibs updated?

hiwigiwi commented on 2021-09-01 09:35 (UTC)

same problem for me as described by @hmcezar