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Installation issue with freesasa

Open APJansen opened this issue 3 years ago • 0 comments

Describe the bug Running pip install deeprank I have an issue with the freesasa dependency, see full error below.

Environment:

  • OS system: M1 Mac
  • Version: Monterey 12.4

Actual Results or Error Info

Running setup.py install for freesasa ... error  error: subprocess-exited-with-error

  × Running setup.py install for freesasa did not run successfully.  │ exit code: 1  ╰─> [19 lines of output]      Define environment variable USE_CYTHON to build from Cython source      /opt/homebrew/Caskroom/miniforge/base/envs/dianna/lib/python3.9/site-packages/setuptools/installer.py:27: SetuptoolsDeprecationWarning: setuptools.installer is deprecated. Requirements should be satisfied by a PEP 517 installer.        warnings.warn(      running install      /opt/homebrew/Caskroom/miniforge/base/envs/dianna/lib/python3.9/site-packages/setuptools/command/install.py:34: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools.        warnings.warn(      running build      running build_ext      building 'freesasa' extension      creating build      creating build/temp.macosx-11.0-arm64-cpython-39      creating build/temp.macosx-11.0-arm64-cpython-39/lib      creating build/temp.macosx-11.0-arm64-cpython-39/lib/src      clang -Wno-unused-result -Wsign-compare -Wunreachable-code -DNDEBUG -fwrapv -O2 -Wall -fPIC -O2 -isystem /opt/homebrew/Caskroom/miniforge/base/envs/dianna/include -arch arm64 -fPIC -O2 -isystem /opt/homebrew/Caskroom/miniforge/base/envs/dianna/include -arch arm64 -Ilib/src -I. -I/opt/homebrew/Caskroom/miniforge/base/envs/dianna/include/python3.9 -c freesasa.c -o build/temp.macosx-11.0-arm64-cpython-39/freesasa.o -DHAVE_CONFIG_H -std=gnu99      freesasa.c:643:10: fatal error: 'freesasa.h' file not found      #include "freesasa.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: legacy-install-failure

× Encountered error while trying to install package.
╰─> freesasa

note: This is an issue with the package mentioned above, not pip.
hint: See above for output from the failure.

Additional Context Cloning the repo and commenting out the freesasa dependency, then installing and then manually running pip install freesasa does work, and passes all tests.

APJansen avatar Nov 02 '22 10:11 APJansen