Closed leiqian-nmsu closed 2 years ago
ghutchis
commented
2 years ago This is how you download a particular commit via GitHub: https://stackoverflow.com/a/13636954/131896
At the moment, there is not yet a 3.1.x or 3.2 release of Open Babel that matches what we want (CJSON support).
leiqian-nmsu
commented
2 years ago @ghutchis Thanks for your kind reply! Finally I completed the installation when the web connection was temporarily good. When I ran avogadro2, everything ran smoothly except an unknown error: In terminal, it showed: ScriptLoader:: queryProgramName: Unable to retrieve program name for "my_path/prefix/lib/avogadro2/scripts/charges/xtb.py"; "Error running script '/usr/bin/python3 my_path/prefix/lib/avogadro2/scripts/charges/xtb.py --display-name --lang en_US'" "xtb is unavailable" However, actually xtb.py does exit in "my_path/prefix/lib/avogadro2/scripts/charges/xtb.py". I would like to know whether this unknown error could be fixed. Thanks!
ghutchis
commented
2 years ago xtb.py is used to generate partial charges from the xtb program (e.g., https://github.com/grimme-lab/xtb).
That's not an error, it's a warning. It's just mentioning that you don't have xtb available, so it won't load the script.
Dear users, Could I ask a question on openchemistry installation? Thanks! When I used command "$ cmake --build . --config Release" to build openchemistry, a CMake error showed up again and again: -- Using src='https://github.com/openbabel/openbabel/archive/763540d52b59f2ad0f8035a94326ef6f13679a6e.tar.gz' CMake Error at openbabel-stamp/download-openbabel.cmake:170 (message): Each download failed! Although I understand it was probably caused by web connection, but when I checked the openbabel in github I could not find the "archive/" folder under openbabel (in other words, the website: https://github.com/openbabel/openbabel/archive/ may not exit) I would very appreciate any suggestion. Thank you!