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[Bug]: pip install chgnet failed #160

@DanielYang59

Description

@DanielYang59

Version

v0.3.7

Which OS(es) are you using?

  • MacOS (M3 Chip, MacOS 14.5)
  • Windows
  • Linux (Ubuntu 22.04, AMD EPYC 7763 CPU)

What happened?

pip install chgnet seems to fail for the latest v0.3.7 release, which also seems to impact the pymatgen CI: https://github.com/materialsproject/pymatgen/actions/runs/9350037332/job/25732649581?pr=3822

Code snippet

pip install chgnet

Log output

Building wheels for collected packages: chgnet, nvidia-ml-py3
  Building wheel for chgnet (pyproject.toml) ... error
  error: subprocess-exited-with-error
  
  × Building wheel for chgnet (pyproject.toml) did not run successfully.
  │ exit code: 1
  ╰─> [60 lines of output]
      running bdist_wheel
      running build
      running build_py
      creating build
      creating build/lib.macosx-11.1-arm64-cpython-311
      creating build/lib.macosx-11.1-arm64-cpython-311/chgnet
      copying chgnet/__init__.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet
      creating build/lib.macosx-11.1-arm64-cpython-311/chgnet/graph
      copying chgnet/graph/graph.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/graph
      copying chgnet/graph/converter.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/graph
      copying chgnet/graph/__init__.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/graph
      copying chgnet/graph/crystalgraph.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/graph
      creating build/lib.macosx-11.1-arm64-cpython-311/chgnet/utils
      copying chgnet/utils/__init__.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/utils
      copying chgnet/utils/vasp_utils.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/utils
      copying chgnet/utils/common_utils.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/utils
      creating build/lib.macosx-11.1-arm64-cpython-311/chgnet/model
      copying chgnet/model/basis.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/model
      copying chgnet/model/functions.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/model
      copying chgnet/model/__init__.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/model
      copying chgnet/model/encoders.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/model
      copying chgnet/model/model.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/model
      copying chgnet/model/composition_model.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/model
      copying chgnet/model/layers.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/model
      copying chgnet/model/dynamics.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/model
      creating build/lib.macosx-11.1-arm64-cpython-311/chgnet/data
      copying chgnet/data/__init__.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/data
      copying chgnet/data/dataset.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/data
      creating build/lib.macosx-11.1-arm64-cpython-311/chgnet/trainer
      copying chgnet/trainer/__init__.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/trainer
      copying chgnet/trainer/trainer.py -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/trainer
      running egg_info
      writing chgnet.egg-info/PKG-INFO
      writing dependency_links to chgnet.egg-info/dependency_links.txt
      writing requirements to chgnet.egg-info/requires.txt
      writing top-level names to chgnet.egg-info/top_level.txt
      reading manifest file 'chgnet.egg-info/SOURCES.txt'
      adding license file 'LICENSE'
      writing manifest file 'chgnet.egg-info/SOURCES.txt'
      copying chgnet/graph/cygraph.pyx -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/graph
      creating build/lib.macosx-11.1-arm64-cpython-311/chgnet/pretrained
      creating build/lib.macosx-11.1-arm64-cpython-311/chgnet/pretrained/0.2.0
      copying chgnet/pretrained/0.2.0/README.md -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/pretrained/0.2.0
      copying chgnet/pretrained/0.2.0/chgnet_0.2.0_e30f77s348m32.pth.tar -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/pretrained/0.2.0
      creating build/lib.macosx-11.1-arm64-cpython-311/chgnet/pretrained/0.3.0
      copying chgnet/pretrained/0.3.0/README.md -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/pretrained/0.3.0
      copying chgnet/pretrained/0.3.0/chgnet_0.3.0_e29f68s314m37.pth.tar -> build/lib.macosx-11.1-arm64-cpython-311/chgnet/pretrained/0.3.0
      running build_ext
      Compiling chgnet/graph/cygraph.pyx because it changed.
      [1/1] Cythonizing chgnet/graph/cygraph.pyx
      building 'chgnet.graph.cygraph' extension
      creating build/temp.macosx-11.1-arm64-cpython-311
      creating build/temp.macosx-11.1-arm64-cpython-311/chgnet
      creating build/temp.macosx-11.1-arm64-cpython-311/chgnet/graph
      clang -DNDEBUG -fwrapv -O2 -Wall -fPIC -O2 -isystem /opt/anaconda3/include -arch arm64 -fPIC -O2 -isystem /opt/anaconda3/include -arch arm64 -I/opt/anaconda3/include/python3.11 -c chgnet/graph/cygraph.c -o build/temp.macosx-11.1-arm64-cpython-311/chgnet/graph/cygraph.o
      chgnet/graph/cygraph.c:1238:10: fatal error: 'fast_converter_libraries/create_graph.c' file not found
      #include "fast_converter_libraries/create_graph.c"
               ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
      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 chgnet
  Building wheel for nvidia-ml-py3 (setup.py) ... done
  Created wheel for nvidia-ml-py3: filename=nvidia_ml_py3-7.352.0-py3-none-any.whl size=19172 sha256=390a142b23fbf3b4250902e0cd4810b5670230854a2c459a82b8ecd5c2d2a0a2
  Stored in directory: /Users/yang/Library/Caches/pip/wheels/47/50/9e/29dc79037d74c3c1bb4a8661fb608e8674b7e4260d6a3f8f51
Successfully built nvidia-ml-py3
Failed to build chgnet
ERROR: Could not build wheels for chgnet, which is required to install pyproject.toml-based projects

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