ModuleNotFoundError: No module named 'ase_interface'

[UnixJunkie]

$ python3 examples/ani_quicktest.py 
Traceback (most recent call last):
  File "~/src/ASE_ANI/examples/ani_quicktest.py", line 6, in <module>
    from ase_interface import ANIENS
ModuleNotFoundError: No module named 'ase_interface'

[UnixJunkie]

You can reproduce with this script:

#!/bin/bash

source bashrc_example.sh

export PATH=/usr/local/cuda-9.2/bin:${PATH}

export LD_LIBRARY_PATH=/usr/local/cuda-9.2/lib64:${HOME}/src/ASE_ANI/lib:${LD_LIBRARY_PATH}

python3 examples/ani_quicktest.py 

[UnixJunkie]

export PYTHONPATH=${HOME}/src/ASE_ANI/lib:${PYTHONPATH}
might solve this problem

[UnixJunkie]

Fixed by:

#!/bin/bash

export PATH=/usr/local/cuda-9.2/bin:${PATH}

export LD_LIBRARY_PATH=/usr/local/cuda-9.2/lib64:${HOME}/src/ASE_ANI/lib:${LD_LIBRARY_PATH}

export PYTHONPATH=${HOME}/src/ASE_ANI/lib:${PYTHONPATH}

source bashrc_example.sh

python3 examples/ani_quicktest.py 

You might want to include this script and call it test.sh.