@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.
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Package Details: avogadroapp 1.100.0-1
Package Actions
Git Clone URL: | https://aur.archlinux.org/avogadroapp.git (read-only, click to copy) |
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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-3-Clause |
Provides: | avogadro2 |
Submitter: | a.kudelin |
Maintainer: | malacology (BioArchLinuxBot) |
Last Packager: | BioArchLinuxBot |
Votes: | 6 |
Popularity: | 0.000139 |
First Submitted: | 2020-03-28 08:13 (UTC) |
Last Updated: | 2025-02-08 04:48 (UTC) |
Dependencies (13)
- avogadrolibs-qt5
- hicolor-icon-theme (hicolor-icon-theme-gitAUR)
- vtk (vtk-gitAUR, vtk93AUR)
- cmake (cmake-gitAUR, cmake3AUR) (make)
- eigen (eigen-gitAUR) (make)
- fast_float (fast_float-gitAUR) (make)
- fmt (fmt-gitAUR) (make)
- git (git-gitAUR, git-glAUR) (make)
- nlohmann-json (nlohmann-json-gitAUR) (make)
- pugixml (pugixml-gitAUR) (make)
- python-cclibAUR (python-cclib-gitAUR) (make)
- utf8cpp (utf8cpp-gitAUR) (make)
- openbabel (openbabel-gitAUR) (optional) – Open Babel plugin actions
Required by (0)
Sources (1)
vitor_hideyoshi commented on 2022-09-29 21:33 (UTC)
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
hmcezar commented on 2021-08-31 19:20 (UTC)
@a.kudelin well, I just cloned the content of https://aur.archlinux.org/avogadroapp.git into a clean directory and tried to make the package, first at my own environment and then in a clean chroot. The files were downloaded from the source at the PKGBUILD (from github) and I got a "avogadroapp-1.95.1.tar.gz" in the directory. Still not sure why it's not working.
a.kudelin commented on 2021-08-31 18:31 (UTC)
@hmcezar, could you please ensure you compile 1.95.1?
Pinned Comments
vitor_hideyoshi commented on 2023-08-11 04:08 (UTC)
In regards to any bugs and feature requests please address the official project repository, the AUR package is only a community package.
https://github.com/OpenChemistry/avogadroapp