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nutjunkie / IQmol3

IQmol version 3
GNU General Public License v3.0
23 stars 11 forks source link

openbabel forcefields plugin missing #16

Open 0xorial opened 1 year ago

0xorial commented 1 year ago

I tried building the app from sources and it seemed okay, but I keep getting the following error:

forcefields is not a recognized plugin type. Those with instances of sub-types loaded are: ops WARN 2023-10-17T14:24:46.636 "Failed to load force field: UFF\nUnable to compute energy\nBABEL_DATADIR environment variable may not be set correctly."

Any hints about how I can get this working? libopenbabel.so.7 seem to have been built and is in the /lib/ directory

nutjunkie commented 1 year ago

Openbabel needs access to several data files, the location of which can be specified via the BABEL_DATADIR environment variable. Additionally, if libopenbabel is not compiled statically, the location of the plugin modules must also be specified with the BABEL_LIBDIR variable.

You can read more about these variables at https://openbabel.org/docs/dev/Installation/install.html