Problem when installing featomic-torch
Installation of featomic in a new conda enviroment is sucessfull but when trying to install the featomic-torch to import from featomic.torch.clebsch_gordan._cartesian_spherical in my code the following errors pop out. Any suggestion to solve it?
`(featomic_torch) ruben@LRMB216291 python % cd featomic_torch
(featomic_torch) ruben@LRMB216291 featomic_torch % ls
AUTHORS MANIFEST.in build-backend featomic_torch.egg-info setup.py
LICENSE README.rst featomic pyproject.toml tests
(featomic_torch) ruben@LRMB216291 featomic_torch % pip install .
Processing /Users/ruben/Documents/sML2_5/25_1_NN_models/250401_Finetunning_NNmodel/featomic/python/featomic_torch
Installing build dependencies ... done
Getting requirements to build wheel ... done
Installing backend dependencies ... error
error: subprocess-exited-with-error
× pip subprocess to install backend dependencies did not run successfully.
│ exit code: 1
╰─> [13 lines of output]
Processing /Users/ruben/Documents/sML2_5/25_1_NN_models/250401_Finetunning_NNmodel/featomic/python/featomic
Installing build dependencies: started
Installing build dependencies: finished with status 'done'
Getting requirements to build wheel: started
Getting requirements to build wheel: finished with status 'done'
Installing backend dependencies: started
Installing backend dependencies: finished with status 'done'
Preparing metadata (pyproject.toml): started
Preparing metadata (pyproject.toml): finished with status 'done'
Collecting metatensor-torch<0.8.0,>=0.7.0
Downloading metatensor_torch-0.7.4-py3-none-macosx_11_0_x86_64.whl.metadata (1.7 kB)
ERROR: Could not find a version that satisfies the requirement torch>=1.12 (from versions: none)
ERROR: No matching distribution found for torch>=1.12
[end of output]
note: This error originates from a subprocess, and is likely not a problem with pip.
error: subprocess-exited-with-error
× pip subprocess to install backend dependencies did not run successfully.
│ exit code: 1
╰─> See above for output.
note: This error originates from a subprocess, and is likely not a problem with pip.`
Hey! It looks like you are running on an Intel mac, is this correct? Torch dropped support for intel macs on version 2.3, but anything below should work.
Is there any reason you are not using the pre-built wheels from PyPI? pip install featomic-torch should work.
If you are sure you want to build a local version, could you share the output of pip install --verbose .?
Hey! Yes, I am running on an Intel Mac.
I first tried the pip install featomic-torch and this was the output:
`(featomic_torch) ruben@LRMB216291 25_1_NN_models % pip install featomic-torch
Collecting featomic-torch
Using cached featomic_torch-0.6.1-py3-none-macosx_11_0_x86_64.whl.metadata (1.6 kB)
INFO: pip is looking at multiple versions of featomic-torch to determine which version is compatible with other requirements. This could take a while.
Using cached featomic_torch-0.6.0-py3-none-macosx_11_0_x86_64.whl.metadata (1.6 kB)
ERROR: Cannot install featomic-torch==0.6.0 and featomic-torch==0.6.1 because these package versions have conflicting dependencies.
The conflict is caused by:
featomic-torch 0.6.1 depends on torch<2.3 and >=2.1
featomic-torch 0.6.0 depends on torch<2.3 and >=2.1
To fix this you could try to:
1. loosen the range of package versions you've specified
2. remove package versions to allow pip to attempt to solve the dependency conflict
ERROR: ResolutionImpossible: for help visit https://pip.pypa.io/en/latest/topics/dependency-resolution/#dealing-with-dependency-conflicts`
and the pip install --verbose . output is the following:
`(featomic_torch) ruben@LRMB216291 featomic_torch % pip install --verbose .
Using pip 25.0.1 from /Users/ruben/anaconda3/envs/featomic_torch/lib/python3.13/site-packages/pip (python 3.13)
Processing /Users/ruben/Documents/sML2_5/25_1_NN_models/featomic/python/featomic_torch
Running command pip subprocess to install build dependencies
Using pip 25.0.1 from /Users/ruben/anaconda3/envs/featomic_torch/lib/python3.13/site-packages/pip (python 3.13)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/54/21/f43f0a1fa8b06b32812e0975981f4677d28e0f3271601dc88ac5a5b83220/setuptools-78.1.0-py3-none-any.whl.metadata
Using cached setuptools-78.1.0-py3-none-any.whl.metadata (6.6 kB)
Collecting wheel
Obtaining dependency information for wheel from https://files.pythonhosted.org/packages/0b/2c/87f3254fd8ffd29e4c02732eee68a83a1d3c346ae39bc6822dcbcb697f2b/wheel-0.45.1-py3-none-any.whl.metadata
Using cached wheel-0.45.1-py3-none-any.whl.metadata (2.3 kB)
Collecting packaging
Obtaining dependency information for packaging from https://files.pythonhosted.org/packages/88/ef/eb23f262cca3c0c4eb7ab1933c3b1f03d021f2c48f54763065b6f0e321be/packaging-24.2-py3-none-any.whl.metadata
Using cached packaging-24.2-py3-none-any.whl.metadata (3.2 kB)
Using cached setuptools-78.1.0-py3-none-any.whl (1.3 MB)
Using cached wheel-0.45.1-py3-none-any.whl (72 kB)
Using cached packaging-24.2-py3-none-any.whl (65 kB)
Installing collected packages: wheel, setuptools, packaging
Creating /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-boxa2h2y/overlay/bin
changing mode of /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-boxa2h2y/overlay/bin/wheel to 755
Successfully installed packaging-24.2 setuptools-78.1.0 wheel-0.45.1
Installing build dependencies ... done
Running command Getting requirements to build wheel
/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-boxa2h2y/overlay/lib/python3.13/site-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated
!!
********************************************************************************
Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0).
By 2026-Feb-18, you need to update your project and remove deprecated calls
or your builds will no longer be supported.
See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details.
********************************************************************************
!!
corresp(dist, value, root_dir)
/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-boxa2h2y/overlay/lib/python3.13/site-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated.
!!
********************************************************************************
Please consider removing the following classifiers in favor of a SPDX license expression:
License :: OSI Approved :: BSD License
See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details.
********************************************************************************
!!
dist._finalize_license_expression()
/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-boxa2h2y/overlay/lib/python3.13/site-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated.
!!
********************************************************************************
Please consider removing the following classifiers in favor of a SPDX license expression:
License :: OSI Approved :: BSD License
See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details.
********************************************************************************
!!
self._finalize_license_expression()
running egg_info
creating featomic_torch.egg-info
writing featomic_torch.egg-info/PKG-INFO
writing dependency_links to featomic_torch.egg-info/dependency_links.txt
writing requirements to featomic_torch.egg-info/requires.txt
writing top-level names to featomic_torch.egg-info/top_level.txt
writing manifest file 'featomic_torch.egg-info/SOURCES.txt'
reading manifest file 'featomic_torch.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
warning: no files found matching 'featomic-torch-cxx-*.tar.gz'
warning: no files found matching 'git_version_info'
adding license file 'LICENSE'
adding license file 'AUTHORS'
writing manifest file 'featomic_torch.egg-info/SOURCES.txt'
Getting requirements to build wheel ... done
Running command pip subprocess to install backend dependencies
Using pip 25.0.1 from /Users/ruben/anaconda3/envs/featomic_torch/lib/python3.13/site-packages/pip (python 3.13)
Processing /Users/ruben/Documents/sML2_5/25_1_NN_models/featomic/python/featomic
Installing build dependencies: started
Running command pip subprocess to install build dependencies
Using pip 25.0.1 from /Users/ruben/anaconda3/envs/featomic_torch/lib/python3.13/site-packages/pip (python 3.13)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/54/21/f43f0a1fa8b06b32812e0975981f4677d28e0f3271601dc88ac5a5b83220/setuptools-78.1.0-py3-none-any.whl.metadata
Using cached setuptools-78.1.0-py3-none-any.whl.metadata (6.6 kB)
Collecting wheel
Obtaining dependency information for wheel from https://files.pythonhosted.org/packages/0b/2c/87f3254fd8ffd29e4c02732eee68a83a1d3c346ae39bc6822dcbcb697f2b/wheel-0.45.1-py3-none-any.whl.metadata
Using cached wheel-0.45.1-py3-none-any.whl.metadata (2.3 kB)
Collecting packaging
Obtaining dependency information for packaging from https://files.pythonhosted.org/packages/88/ef/eb23f262cca3c0c4eb7ab1933c3b1f03d021f2c48f54763065b6f0e321be/packaging-24.2-py3-none-any.whl.metadata
Using cached packaging-24.2-py3-none-any.whl.metadata (3.2 kB)
Using cached setuptools-78.1.0-py3-none-any.whl (1.3 MB)
Using cached wheel-0.45.1-py3-none-any.whl (72 kB)
Using cached packaging-24.2-py3-none-any.whl (65 kB)
Installing collected packages: wheel, setuptools, packaging
Creating /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/overlay/bin
changing mode of /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/overlay/bin/wheel to 755
Successfully installed packaging-24.2 setuptools-78.1.0 wheel-0.45.1
Installing build dependencies: finished with status 'done'
Getting requirements to build wheel: started
Running command Getting requirements to build wheel
/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/overlay/lib/python3.13/site-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated
!!
********************************************************************************
Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0).
By 2026-Feb-18, you need to update your project and remove deprecated calls
or your builds will no longer be supported.
See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details.
********************************************************************************
!!
corresp(dist, value, root_dir)
/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/overlay/lib/python3.13/site-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated.
!!
********************************************************************************
Please consider removing the following classifiers in favor of a SPDX license expression:
License :: OSI Approved :: BSD License
See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details.
********************************************************************************
!!
dist._finalize_license_expression()
/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/overlay/lib/python3.13/site-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated.
!!
********************************************************************************
Please consider removing the following classifiers in favor of a SPDX license expression:
License :: OSI Approved :: BSD License
See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details.
********************************************************************************
!!
self._finalize_license_expression()
running egg_info
creating featomic.egg-info
writing featomic.egg-info/PKG-INFO
writing dependency_links to featomic.egg-info/dependency_links.txt
writing requirements to featomic.egg-info/requires.txt
writing top-level names to featomic.egg-info/top_level.txt
writing manifest file 'featomic.egg-info/SOURCES.txt'
reading manifest file 'featomic.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
warning: no files found matching 'featomic-cxx-*.tar.gz'
warning: no files found matching 'git_version_info'
adding license file 'LICENSE'
adding license file 'AUTHORS'
writing manifest file 'featomic.egg-info/SOURCES.txt'
Getting requirements to build wheel: finished with status 'done'
Installing backend dependencies: started
Running command pip subprocess to install backend dependencies
Using pip 25.0.1 from /Users/ruben/anaconda3/envs/featomic_torch/lib/python3.13/site-packages/pip (python 3.13)
Collecting metatensor-core<0.2.0,>=0.1.11
Obtaining dependency information for metatensor-core<0.2.0,>=0.1.11 from https://files.pythonhosted.org/packages/10/b4/797805f7fb455d8ceba1fd13f407ef684d3867862a1a452a8d0fe516a7cd/metatensor_core-0.1.12-py3-none-macosx_11_0_x86_64.whl.metadata
Using cached metatensor_core-0.1.12-py3-none-macosx_11_0_x86_64.whl.metadata (1.7 kB)
Collecting cmake
Obtaining dependency information for cmake from https://files.pythonhosted.org/packages/3d/ca/503c6e7e5bf084d93dcc2279616f800f3b67f8a37af0a8c6aeccbb735ec0/cmake-4.0.0-py3-none-macosx_10_10_universal2.whl.metadata
Using cached cmake-4.0.0-py3-none-macosx_10_10_universal2.whl.metadata (6.3 kB)
Link requires a different Python (3.13.2 not in: '>=3.7,<3.11'): https://files.pythonhosted.org/packages/3a/be/650f9c091ef71cb01d735775d554e068752d3ff63d7943b26316dc401749/numpy-1.21.2.zip (from https://pypi.org/simple/numpy/) (requires-python:>=3.7,<3.11)
Link requires a different Python (3.13.2 not in: '>=3.7,<3.11'): https://files.pythonhosted.org/packages/5f/d6/ad58ded26556eaeaa8c971e08b6466f17c4ac4d786cd3d800e26ce59cc01/numpy-1.21.3.zip (from https://pypi.org/simple/numpy/) (requires-python:>=3.7,<3.11)
Link requires a different Python (3.13.2 not in: '>=3.7,<3.11'): https://files.pythonhosted.org/packages/fb/48/b0708ebd7718a8933f0d3937513ef8ef2f4f04529f1f66ca86d873043921/numpy-1.21.4.zip (from https://pypi.org/simple/numpy/) (requires-python:>=3.7,<3.11)
Link requires a different Python (3.13.2 not in: '>=3.7,<3.11'): https://files.pythonhosted.org/packages/c2/a8/a924a09492bdfee8c2ec3094d0a13f2799800b4fdc9c890738aeeb12c72e/numpy-1.21.5.zip (from https://pypi.org/simple/numpy/) (requires-python:>=3.7,<3.11)
Link requires a different Python (3.13.2 not in: '>=3.7,<3.11'): https://files.pythonhosted.org/packages/45/b7/de7b8e67f2232c26af57c205aaad29fe17754f793404f59c8a730c7a191a/numpy-1.21.6.zip (from https://pypi.org/simple/numpy/) (requires-python:>=3.7,<3.11)
Link requires a different Python (3.13.2 not in: '<3.13,>=3.9'): https://files.pythonhosted.org/packages/55/b3/b13bce39ba82b7398c06d10446f5ffd5c07db39b09bd37370dc720c7951c/numpy-1.26.0.tar.gz (from https://pypi.org/simple/numpy/) (requires-python:<3.13,>=3.9)
Link requires a different Python (3.13.2 not in: '<3.13,>=3.9'): https://files.pythonhosted.org/packages/78/23/f78fd8311e0f710fe1d065d50b92ce0057fe877b8ed7fd41b28ad6865bfc/numpy-1.26.1.tar.gz (from https://pypi.org/simple/numpy/) (requires-python:<3.13,>=3.9)
Collecting numpy (from metatensor-core<0.2.0,>=0.1.11)
Obtaining dependency information for numpy from https://files.pythonhosted.org/packages/1c/8b/e2fc8a75fcb7be12d90b31477c9356c0cbb44abce7ffb36be39a0017afad/numpy-2.2.4-cp313-cp313-macosx_14_0_x86_64.whl.metadata
Using cached numpy-2.2.4-cp313-cp313-macosx_14_0_x86_64.whl.metadata (62 kB)
Using cached metatensor_core-0.1.12-py3-none-macosx_11_0_x86_64.whl (919 kB)
Using cached cmake-4.0.0-py3-none-macosx_10_10_universal2.whl (47.6 MB)
Using cached numpy-2.2.4-cp313-cp313-macosx_14_0_x86_64.whl (6.7 MB)
Installing collected packages: numpy, cmake, metatensor-core
Creating /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/normal/bin
changing mode of /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/normal/bin/f2py to 755
changing mode of /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/normal/bin/numpy-config to 755
changing mode of /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/normal/bin/ccmake to 755
changing mode of /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/normal/bin/cmake to 755
changing mode of /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/normal/bin/cpack to 755
changing mode of /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/normal/bin/ctest to 755
Successfully installed cmake-4.0.0 metatensor-core-0.1.12 numpy-2.2.4
Installing backend dependencies: finished with status 'done'
Preparing metadata (pyproject.toml): started
Running command Preparing metadata (pyproject.toml)
/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/overlay/lib/python3.13/site-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated
!!
********************************************************************************
Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0).
By 2026-Feb-18, you need to update your project and remove deprecated calls
or your builds will no longer be supported.
See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details.
********************************************************************************
!!
corresp(dist, value, root_dir)
/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/overlay/lib/python3.13/site-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated.
!!
********************************************************************************
Please consider removing the following classifiers in favor of a SPDX license expression:
License :: OSI Approved :: BSD License
See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details.
********************************************************************************
!!
dist._finalize_license_expression()
/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-eq30kcmk/overlay/lib/python3.13/site-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated.
!!
********************************************************************************
Please consider removing the following classifiers in favor of a SPDX license expression:
License :: OSI Approved :: BSD License
See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details.
********************************************************************************
!!
self._finalize_license_expression()
running dist_info
creating /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-modern-metadata-bdy70b4_/featomic.egg-info
writing /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-modern-metadata-bdy70b4_/featomic.egg-info/PKG-INFO
writing dependency_links to /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-modern-metadata-bdy70b4_/featomic.egg-info/dependency_links.txt
writing requirements to /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-modern-metadata-bdy70b4_/featomic.egg-info/requires.txt
writing top-level names to /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-modern-metadata-bdy70b4_/featomic.egg-info/top_level.txt
writing manifest file '/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-modern-metadata-bdy70b4_/featomic.egg-info/SOURCES.txt'
reading manifest file '/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-modern-metadata-bdy70b4_/featomic.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
warning: no files found matching 'featomic-cxx-*.tar.gz'
warning: no files found matching 'git_version_info'
adding license file 'LICENSE'
adding license file 'AUTHORS'
writing manifest file '/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-modern-metadata-bdy70b4_/featomic.egg-info/SOURCES.txt'
creating '/private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-modern-metadata-bdy70b4_/featomic-0.7.0.dev1+git.5879eb2.dist-info'
Preparing metadata (pyproject.toml): finished with status 'done'
ERROR: Could not find a version that satisfies the requirement torch>=1.12 (from versions: none)
ERROR: No matching distribution found for torch>=1.12
error: subprocess-exited-with-error
× pip subprocess to install backend dependencies did not run successfully.
│ exit code: 1
╰─> See above for output.
note: This error originates from a subprocess, and is likely not a problem with pip.
full command: /Users/ruben/anaconda3/envs/featomic_torch/bin/python3.13 /Users/ruben/anaconda3/envs/featomic_torch/lib/python3.13/site-packages/pip/__pip-runner__.py install --ignore-installed --no-user --prefix /private/var/folders/_9/p501rwm53ynbd7jvcv72c4h40000gr/T/pip-build-env-boxa2h2y/normal --no-warn-script-location --disable-pip-version-check --target '' -v --no-binary :none: --only-binary :none: -i https://pypi.org/simple -- 'featomic @ file:///Users/ruben/Documents/sML2_5/25_1_NN_models/featomic/python/featomic' 'torch >=1.12' cmake 'metatensor-torch >=0.7.0,<0.8.0'
cwd: [inherit]
Installing backend dependencies ... error
error: subprocess-exited-with-error
× pip subprocess to install backend dependencies did not run successfully.
│ exit code: 1
╰─> See above for output.
note: This error originates from a subprocess, and is likely not a problem with pip.`
Ok, looks like the issue is that you are using Python 3.13, torch only published wheels up to Python 3.12: https://pypi.org/project/torch/2.2.2/#files
Are you able to use a different Python version?