xtb-python
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M1 Mac Install error
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