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pytraj not compatible with OSX-arm64 arch #1654

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xiki-tempula opened this issue May 28, 2024 · 0 comments
Open

pytraj not compatible with OSX-arm64 arch #1654

xiki-tempula opened this issue May 28, 2024 · 0 comments
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@xiki-tempula
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If I tried to install pytraj through the ambertools from conda-forge I will get the error

In [1]: import pytraj
---------------------------------------------------------------------------
ImportError                               Traceback (most recent call last)
Cell In[1], line 1
----> 1 import pytraj

File ~/miniconda3/envs/ambertools/lib/python3.12/site-packages/pytraj/__init__.py:24
     22 from .utils import c_commands
     23 from .utils import tools
---> 24 from .utils.misc import info
     25 from .utils.cyutils import _fast_iterptr as iterframe_from_array
     26 from .core.c_options import info as compiled_info

File ~/miniconda3/envs/ambertools/lib/python3.12/site-packages/pytraj/utils/misc.py:7
      5 import os
      6 from glob import glob
----> 7 from pytraj.core.c_options import set_world_silent
      9 from .context import capture_stdout
     11 try:

File ~/miniconda3/envs/ambertools/lib/python3.12/site-packages/pytraj/core/__init__.py:2
      1 """"""
----> 2 from .topology_objects import Atom, Residue, Molecule
      3 from .box import Box
      4 from .elements import mass_atomic_number_dict, mass_element_dict

ImportError: dlopen(/Users/zwu/miniconda3/envs/ambertools/lib/python3.12/site-packages/pytraj/core/topology_objects.cpython-312-darwin.so, 0x0002): tried: '/Users/zwu/miniconda3/envs/ambertools/lib/python3.12/site-packages/pytraj/core/topology_objects.cpython-312-darwin.so' (mach-o file, but is an incompatible architecture (have 'x86_64', need 'arm64e' or 'arm64')), '/System/Volumes/Preboot/Cryptexes/OS/Users/zwu/miniconda3/envs/ambertools/lib/python3.12/site-packages/pytraj/core/topology_objects.cpython-312-darwin.so' (no such file), '/Users/zwu/miniconda3/envs/ambertools/lib/python3.12/site-packages/pytraj/core/topology_objects.cpython-312-darwin.so' (mach-o file, but is an incompatible architecture (have 'x86_64', need 'arm64e' or 'arm64'))

This is how I set up the env
conda create -n ambertools ambertools ipython

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