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Description
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 chgnetLog 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 projectsCode of Conduct
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