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M1 Mac Install error

Open MKCarter opened this issue 2 years ago • 0 comments

Hi,

I have followed the conda install instructions for xtb

conda install xtb-python

However when I try to import from xtb I get this error:

from xtb.interface import Calculator from xtb.utils import get_method import numpy as np

`

---------------------------------------------------------------------------
ModuleNotFoundError                       Traceback (most recent call last)
File ~/DD_tools/xtb-python/xtb/libxtb.py:32
     31 try:
---> 32     from ._libxtb import ffi, lib
     33 except ImportError:

ModuleNotFoundError: No module named 'xtb._libxtb'

During handling of the above exception, another exception occurred:

ImportError                               Traceback (most recent call last)
Cell In [2], line 1
----> 1 from xtb.interface import Calculator
      2 from xtb.utils import get_method
      3 import numpy as np

File ~/DD_tools/xtb-python/xtb/interface.py:25
     21 from enum import Enum, auto
     22 import numpy as np
---> 25 from .libxtb import (
     26     ffi as _ffi,
     27     lib as _lib,
     28     new_environment,
     29     new_molecule,
     30     new_calculator,
     31     new_results,
     32     copy_results,
     33     VERBOSITY_FULL,
     34     VERBOSITY_MINIMAL,
     35     VERBOSITY_MUTED
     36 )
     38 _verbosity_flags = {
     39     "full": VERBOSITY_FULL,
     40     "minimal": VERBOSITY_MINIMAL,
     41     "muted": VERBOSITY_MUTED
     42 }
     45 class XTBException(Exception):

File ~/DD_tools/xtb-python/xtb/libxtb.py:34
     32     from ._libxtb import ffi, lib
     33 except ImportError:
---> 34     raise ImportError("xtb C extension unimportable, cannot use C-API")
     37 VERBOSITY_FULL = 2
     38 VERBOSITY_MINIMAL = 1

ImportError: xtb C extension unimportable, cannot use C-API`

Do you know of any solution to this error? I have tried specific conda xtb version, but they all appear to lead to this error.

Thanks, Mike

MKCarter avatar Sep 16 '22 15:09 MKCarter