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rbharath avatar rbharath commented on June 27, 2024

I'm on python 3.9 so I don't think this is related to #1761 but I'm not sure. I believe this could be the same issue as reported in #1757

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mattwthompson avatar mattwthompson commented on June 27, 2024

Once we fix this we should probably upload wheels, I think - is that still considered pip/PyPI best practices?

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mattwthompson avatar mattwthompson commented on June 27, 2024

I can reproduce this, or something similar, so whatever's causing it is probably not architecture and more likely something changing with the compiler.

I think this it the relevant bit:

      building 'mdtraj.geometry.drid' extension
      clang -DNDEBUG -fwrapv -O2 -Wall -fPIC -O2 -isystem /Users/mattthompson/mambaforge/envs/mdtraj-1768/include -fPIC -O2 -isystem /Users/mattthompson/mambaforge/envs/mdtraj-1768/include -Imdtraj/geometry/include -I/private/var/folders/p1/176rcfkn6zlbbjq4bdjmv2pr0000gn/T/pip-build-env-0ousrr6q/overlay/lib/python3.11/site-packages/numpy/core/include -I/Users/mattthompson/mambaforge/envs/mdtraj-1768/include/python3.11 -c mdtraj/geometry/drid.cpp -o build/temp.macosx-10.9-x86_64-cpython-311/mdtraj/geometry/drid.o -msse2 -mssse3 -O3 -funroll-loops --std=c++11 -Wno-unused-function -Wno-unreachable-code -Wno-sign-compare
      mdtraj/geometry/drid.cpp:230:12: fatal error: 'longintrepr.h' file not found
        #include "longintrepr.h"
                 ^~~~~~~~~~~~~~~
      1 error generated.
      error: command '/usr/bin/clang' failed with exit code 1
      [end of output]

  note: This error originates from a subprocess, and is likely not a problem with pip.
  ERROR: Failed building wheel for mdtraj
Failed to build mdtraj
ERROR: Could not build wheels for mdtraj, which is required to install pyproject.toml-based projects

and this jogs my memory because it's the same as #1761 which we have yet to fix. I assume your builds are failing for the same reason - please let us know if you're seeing something different.

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mattwthompson avatar mattwthompson commented on June 27, 2024

1.9.8 (on PyPI, soon on conda-forge) includes a fix that should take care of this - please let us know if that's not the case

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