Map undefined bond types to single when writing CIF files since they … #757
stefdoerrtest_and_publish.yml
on: push
Matrix: test
Matrix: deploy_linux
Matrix: deploy_osx_win
Matrix: deploypypi
Annotations
25 errors and 140 warnings
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test (macos-latest, 3.12)
The run was canceled by @stefdoerr.
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test (macos-latest, 3.11)
The run was canceled by @stefdoerr.
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test (macos-latest, 3.9)
The run was canceled by @stefdoerr.
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test (macos-latest, 3.8)
The run was canceled by @stefdoerr.
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test (macos-latest, 3.10)
The run was canceled by @stefdoerr.
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test (windows-2019, 3.9)
The run was canceled by @stefdoerr.
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test (windows-2019, 3.9)
The operation was canceled.
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test (windows-2019, 3.11)
The run was canceled by @stefdoerr.
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test (windows-2019, 3.11)
The operation was canceled.
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test (windows-2019, 3.8)
The run was canceled by @stefdoerr.
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test (windows-2019, 3.8)
The operation was canceled.
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test (windows-2019, 3.10)
The run was canceled by @stefdoerr.
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test (windows-2019, 3.10)
The operation was canceled.
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test (windows-2019, 3.12)
The run was canceled by @stefdoerr.
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test (windows-2019, 3.12)
The operation was canceled.
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test (macos-13, 3.10)
The run was canceled by @stefdoerr.
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test (macos-13, 3.10)
The operation was canceled.
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test (macos-13, 3.8)
The run was canceled by @stefdoerr.
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test (macos-13, 3.8)
The operation was canceled.
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test (macos-13, 3.11)
The run was canceled by @stefdoerr.
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test (macos-13, 3.11)
The operation was canceled.
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test (macos-13, 3.12)
The run was canceled by @stefdoerr.
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test (macos-13, 3.12)
The operation was canceled.
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test (macos-13, 3.9)
The run was canceled by @stefdoerr.
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test (macos-13, 3.9)
The operation was canceled.
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Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
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test (ubuntu-latest, 3.12)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.12)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.12)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.12)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.12)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.12)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.12)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.12)
warning libmamba Could not parse mod/etag header
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Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
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test (ubuntu-latest, 3.11)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.11)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.11)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.11)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.11)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.11)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.11)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.11)
warning libmamba Could not parse mod/etag header
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Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
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test (ubuntu-latest, 3.10)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.10)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.10)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.10)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.10)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.10)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.10)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.10)
warning libmamba Could not parse mod/etag header
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Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
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test (ubuntu-latest, 3.8)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.8)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.8)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.8)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.8)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.8)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.8)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.8)
warning libmamba Could not parse mod/etag header
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Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
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test (ubuntu-latest, 3.9)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.9)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.9)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.9)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.9)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.9)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.9)
warning libmamba Could not parse mod/etag header
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test (ubuntu-latest, 3.9)
warning libmamba Could not parse mod/etag header
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Mambaforge is now deprecated!
Mambaforge is now deprecated! Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/. If you require Mambaforge, you may pin your installer to one found in https://github.com/conda-forge/miniforge/releases/tag/24.7.1-0
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test (windows-2019, 3.9)
'powershell' is not recognized as an internal or external command,
operable program or batch file.
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test (windows-2019, 3.9)
'powershell' is not recognized as an internal or external command,
operable program or batch file.
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test (windows-2019, 3.9)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.9)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.9)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.9)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.9)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.9)
warning libmamba Could not parse mod/etag header
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test (windows-2019, 3.9)
warning libmamba Could not parse mod/etag header
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Mambaforge is now deprecated!
Mambaforge is now deprecated! Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/. If you require Mambaforge, you may pin your installer to one found in https://github.com/conda-forge/miniforge/releases/tag/24.7.1-0
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test (windows-2019, 3.11)
'powershell' is not recognized as an internal or external command,
operable program or batch file.
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test (windows-2019, 3.11)
'powershell' is not recognized as an internal or external command,
operable program or batch file.
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test (windows-2019, 3.11)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.11)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.11)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.11)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.11)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.11)
warning libmamba Could not parse mod/etag header
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test (windows-2019, 3.11)
warning libmamba Could not parse mod/etag header
|
|
Mambaforge is now deprecated!
Mambaforge is now deprecated! Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/. If you require Mambaforge, you may pin your installer to one found in https://github.com/conda-forge/miniforge/releases/tag/24.7.1-0
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test (windows-2019, 3.8)
'powershell' is not recognized as an internal or external command,
operable program or batch file.
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test (windows-2019, 3.8)
'powershell' is not recognized as an internal or external command,
operable program or batch file.
|
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test (windows-2019, 3.8)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.8)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.8)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.8)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.8)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.8)
warning libmamba Could not parse mod/etag header
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test (windows-2019, 3.8)
warning libmamba Could not parse mod/etag header
|
|
Mambaforge is now deprecated!
Mambaforge is now deprecated! Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/. If you require Mambaforge, you may pin your installer to one found in https://github.com/conda-forge/miniforge/releases/tag/24.7.1-0
|
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test (windows-2019, 3.10)
'powershell' is not recognized as an internal or external command,
operable program or batch file.
|
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test (windows-2019, 3.10)
'powershell' is not recognized as an internal or external command,
operable program or batch file.
|
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test (windows-2019, 3.10)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.10)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.10)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
|
|
test (windows-2019, 3.10)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
|
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test (windows-2019, 3.10)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.10)
warning libmamba Could not parse mod/etag header
|
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test (windows-2019, 3.10)
warning libmamba Could not parse mod/etag header
|
|
Mambaforge is now deprecated!
Mambaforge is now deprecated! Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/. If you require Mambaforge, you may pin your installer to one found in https://github.com/conda-forge/miniforge/releases/tag/24.7.1-0
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test (windows-2019, 3.12)
'powershell' is not recognized as an internal or external command,
operable program or batch file.
|
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test (windows-2019, 3.12)
'powershell' is not recognized as an internal or external command,
operable program or batch file.
|
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test (windows-2019, 3.12)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.12)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.12)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
|
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test (windows-2019, 3.12)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.12)
WARNING conda.activate:native_path_to_unix(1034): cygpath is not available, fallback to manual path conversion
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test (windows-2019, 3.12)
warning libmamba Could not parse mod/etag header
|
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test (windows-2019, 3.12)
warning libmamba Could not parse mod/etag header
|
|
Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
|
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test (macos-13, 3.10)
warning libmamba Could not parse mod/etag header
|
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test (macos-13, 3.10)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.10)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.10)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.10)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.10)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.10)
warning libmamba Could not parse mod/etag header
|
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test (macos-13, 3.10)
warning libmamba Could not parse mod/etag header
|
|
Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
|
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test (macos-13, 3.8)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.8)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.8)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.8)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.8)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.8)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.8)
warning libmamba Could not parse mod/etag header
|
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test (macos-13, 3.8)
warning libmamba Could not parse mod/etag header
|
|
Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
|
|
test (macos-13, 3.11)
warning libmamba Could not parse mod/etag header
|
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test (macos-13, 3.11)
warning libmamba Could not parse mod/etag header
|
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test (macos-13, 3.11)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.11)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.11)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.11)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.11)
warning libmamba Could not parse mod/etag header
|
|
test (macos-13, 3.11)
warning libmamba Could not parse mod/etag header
|
|
Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
|
|
test (macos-13, 3.12)
warning libmamba Could not parse mod/etag header
|
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test (macos-13, 3.12)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.12)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.12)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.12)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.12)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.12)
warning libmamba Could not parse mod/etag header
|
|
test (macos-13, 3.12)
warning libmamba Could not parse mod/etag header
|
|
Mambaforge is now deprecated!
Future Miniforge releases will NOT build Mambaforge installers. We advise you switch to Miniforge at your earliest convenience. More details at https://conda-forge.org/news/2024/07/29/sunsetting-mambaforge/.
|
|
test (macos-13, 3.9)
warning libmamba Could not parse mod/etag header
|
|
test (macos-13, 3.9)
warning libmamba Could not parse mod/etag header
|
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test (macos-13, 3.9)
warning libmamba Could not parse mod/etag header
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test (macos-13, 3.9)
warning libmamba Could not parse mod/etag header
|
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test (macos-13, 3.9)
warning libmamba Could not parse mod/etag header
|
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test (macos-13, 3.9)
warning libmamba Could not parse mod/etag header
|
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test (macos-13, 3.9)
warning libmamba Could not parse mod/etag header
|
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test (macos-13, 3.9)
warning libmamba Could not parse mod/etag header
|