I really apologize for talking so long to reply.
Here is what is in the current
LICENSE dalton.py* gaussian.py* inputgeneratortest.py* mopac.py* orca.py* psi4.py* qchem.py*
README.md gamessuk.py* generators.cmake molpro.py* nwchem.py* plugin.json pyscf.py* terachem.py*
Do they have to be installed somehow? I obtained them from the avogenerators-master.zip
file which I downloaded. There really aren’t any clear instructions on what to do with the contents of this file one one downloads it.
Also the errors I am getting, and there are a lot of them for each plugin seems to be more than having them in the wrong directory.
Command: Unable to retrieve menu name for: “/home/rossi/.local/share/OpenChemistry/Avogadro/commands/other/dalton.py” . "Error running script ‘/usr/bin/python3 /home/rossi/.local/share/OpenChemistry/Avogadro/commands/other/dalton.py --menu-path --lang C’: Abnormal exit status 2 (Unknown error.: Unknown error)\n\nOutput:\nusage: Generate a DALTON input file. [-h] [–debug] [–print-options]\n [–generate-input] [–display-name]\n [–lang [LANG]]\nGenerate a DALTON input file.: error: unrecognized ar
The issue seems to be related to this post, i.e a python issue??
Can you please help with this? I am using Debian Linux.
The reason for my delay in responding is that I am giving a computational chemistry workshop for grad students and postdocs, and I wanted to show them Avogadro2.
It’s not a python issue. You have files in the “commands” directory, so it’s attempting to ask what menu they should install. Since they’re not commands, there’s an expected error and it will ignore them.
Once I get a bit of free time this week, I’m going to add an “install this script” feature and fix the download plugin feature.
If you have the generators in /home/rossi/.local/share/OpenChemistry/Avogadro/generators they will be used.
I installed the flatpack version and I can see an Input Generators option under the Quantum menu, but it only lists CP2K and GAMESS, but none of the other options such as Mopac which is what I’m interested in using.
Which show that it is looking for plugins in these location.
Checking for “inputGenerators” scripts in “/app/share/OpenChemistry/Avogadro/inputGenerators”
Checking for “inputGenerators” scripts in “/usr/share/OpenChemistry/Avogadro/inputGenerators”
Checking for “inputGenerators” scripts in “/usr/share/runtime/share/OpenChemistry/Avogadro/inputGenerators”
Checking for “inputGenerators” scripts in “/run/host/share/OpenChemistry/Avogadro/inputGenerators”
Checking for “inputGenerators” scripts in “/app/bin/…/lib/avogadro2/scripts/inputGenerators”
I tried using the plugin downloader. It install the plugins in this location.
Which is not the same place it is looking for. So I recommend you to place the plugins in the directory I show above.
Downloading crystals.zip to /home/.var/app/org.openchemistry.Avogadro2/data/OpenChemistry/Avogadro
Extracting /home/kev/.var/app/org.openchemistry.Avogadro2/data/OpenChemistry/Avogadro/crystals.zip to /home/kev/.var/app/org.openchemistry.Avogadro2/data/OpenChemistry/Avogadro/other/