All,
I've been trying to build a very simple openbabel example script but
pyinstaller fails to set environment variables or include plugin data
causing an error at runtime.
.\dist\obopt.exe
==============================
*** Open Babel Error in OpenBabel::OBPlugin::LoadAllPlugins
Unable to find OpenBabel plugins. Try setting the BABEL_LIBDIR
environment variable.
==============================
*** Open Babel Error in OpenBabel::OBPlugin::LoadAllPlugins
Unable to find OpenBabel plugins. Try setting the BABEL_LIBDIR
environment variable.
This is the script I am trying to build:
*from openbabel import openbabelclass ob: def read_xyz(file):
obconversion = openbabel.OBConversion()
obconversion.SetInAndOutFormats("xyz", "xyz") mol =
openbabel.OBMol() obconversion.ReadFile(mol, file) return
mol def write_xyz(mol,file):
obff=openbabel.OBForceField.FindForceField("Ghemical")
obff.Setup(mol) obff.ConjugateGradients(10000)
obff.GetCoordinates(mol) obconversion = openbabel.OBConversion()
obconversion.SetInAndOutFormats("xyz", "xyz")
obconversion.WriteFile(mol, file)mol = ob.read_xyz('test.xyz')*
I found an earlier post attempting to solve this issue
here:
https://github.com/ssorgatem/pyinstaller/blob/master/support/rthooks/pyi_rth_obdata.py
I think this adds a new runtime hook in
C:\Users\RO\Miniconda3\envs\ncapB\lib\site-packages\PyInstaller\hooks\rthooks\
I've also tried to supply the hook at build time with: pyinstaller
--onefile --runtime-hook=obrth.py .\obopt.py
So far things are still not working. Build works on linux only windows is
broken. I am running pyinstaller 5.7.0, python 3.10.8, openbabel 3.1.0.
All installed with miniconda.
Any help would be appreciated.
Thanks,
Richard
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