Integrate openmm into biotite.interface.openmm
#804
padix-keytest_and_deploy.yml
on: pull_request
Build CCD and wheel for reusing it in several CI jobs
4m 46s
Generate wheels matrix
7s
Check code style
8s
Build source distribution
29s
Test interfaces to databases and applications
1m 49s
Test interface to Muscle 5
1m 3s
Matrix: Build & Test
Upload documentation to GitHub Releases and documentation website
0s
Upload package to GitHub Releases & PyPI
0s
Annotations
2 errors and 7 warnings
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Test interfaces to databases and applications
The process '/home/runner/miniconda3/condabin/mamba' failed with exit code 1
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Build documentation
The process '/home/runner/miniconda3/condabin/mamba' failed with exit code 1
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Test interface to Muscle 5
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.
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Test interfaces to databases and applications
/home/runner/miniconda3/lib/python3.12/site-packages/conda/base/context.py:201: FutureWarning: Adding 'defaults' to channel list implicitly is deprecated and will be removed in 25.3.
To remove this warning, please choose a default channel explicitly with conda's regular configuration system, e.g. by adding 'defaults' to the list of channels:
conda config --add channels defaults
For more information see https://docs.conda.io/projects/conda/en/stable/user-guide/configuration/use-condarc.html
deprecated.topic(
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Test interfaces to databases and applications
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.
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Test interfaces to databases and applications
LibMambaUnsatisfiableError: Encountered problems while solving:
- nothing provides _numpy_rc needed by numpy-2.1.0rc1-py310hf9f9071_0
Could not solve for environment specs
The following packages are incompatible
├─ numpy >=2.0 is installable with the potential options
│ ├─ numpy [1.23.5|1.24.3|...|2.2.2] would require
│ │ └─ python >=3.10,<3.11.0a0 , which can be installed;
│ ├─ numpy [1.23.5|1.24.3|...|2.0.2] would require
│ │ └─ python >=3.9,<3.10.0a0 , which can be installed;
│ ├─ numpy [1.26.0|1.26.2|...|2.2.2] would require
│ │ └─ python >=3.12,<3.13.0a0 , which can be installed;
│ ├─ numpy [1.23.5|1.24.0|...|2.2.2] would require
│ │ ├─ python >=3.10,<3.11.0a0 , which can be installed;
│ │ └─ python_abi 3.10.* *_cp310, which can be installed;
│ ├─ numpy [1.23.5|1.24.0|...|2.0.2] would require
│ │ ├─ python >=3.9,<3.10.0a0 , which can be installed;
│ │ └─ python_abi 3.9.* *_cp39, which can be installed;
│ ├─ numpy [1.26.0|1.26.2|...|2.2.2] would require
│ │ └─ python_abi 3.12.* *_cp312, which can be installed;
│ ├─ numpy [2.0.0|2.0.1|...|2.2.2], which can be installed;
│ ├─ numpy [2.1.0|2.1.1|...|2.2.2] would require
│ │ └─ python_abi 3.13.* *_cp313, which can be installed;
│ ├─ numpy [2.1.0rc1|2.2.0rc1] would require
│ │ └─ _numpy_rc, which does not exist (perhaps a missing channel);
│ └─ numpy [2.1.2|2.1.3|2.2.0|2.2.1|2.2.2] would require
│ └─ python_abi 3.13.* *_cp313t, which can be installed;
├─ openmm >=8 is installable with the potential options
│ ├─ openmm [8.0.0|8.1.0|8.1.1|8.1.2|8.2.0] would require
│ │ └─ numpy >=1.23.5,<2.0a0 with the potential options
│ │ ├─ numpy [1.23.5|1.24.3|...|2.2.2], which can be installed (as previously explained);
│ │ ├─ numpy [1.23.5|1.24.0|...|1.26.4] conflicts with any installable versions previously reported;
│ │ ├─ numpy [1.23.5|1.24.3] would require
│ │ │ └─ python >=3.8,<3.9.0a0 , which can be installed;
│ │ ├─ numpy [1.23.5|1.24.3|...|2.0.2], which can be installed (as previously explained);
│ │ ├─ numpy [1.26.0|1.26.2|...|2.2.2], which can be installed (as previously explained);
│ │ ├─ numpy [1.23.5|1.24.0|...|2.2.2], which can be installed (as previously explained);
│ │ ├─ numpy [1.23.5|1.24.0|...|1.24.4] would require
│ │ │ ├─ python >=3.8,<3.9.0a0 , which can be installed;
│ │ │ └─ python_abi 3.8.* *_cp38, which can be installed;
│ │ ├─ numpy [1.23.5|1.24.0|1.24.1] would require
│ │ │ └─ python_abi 3.8 *_pypy38_pp73, which can be installed;
│ │ ├─ numpy [1.23.5|1.24.0|...|2.0.2], which can be installed (as previously explained);
│ │ ├─ numpy [1.23.5|1.24.0|1.24.1] would require
│ │ │ └─ python_abi 3.9 *_pypy39_pp73, which can be installed;
│ │ ├─ numpy [1.24.2|1.24.3|1.24.4] would require
│ │ │ └─ pypy3.8 >=7.3.11 , which can be installed;
│ │ ├─ numpy [1.24.2|1.24.3|...|1.25.2] would require
│ │ │ └─ pypy3.9 >=7.3.11 , which can be installed;
│ │ ├─ numpy [1.26.0|1.26.2|...|2.2.2], which can be installed (as previously explained);
│ │ ├─ numpy 1.26.0 would require
│ │ │ └─ pypy3.9 >=7.3.12 , which can be installed;
│ │ ├─ numpy [1.26.2|1.26.3] would require
│ │ │ └─ pypy3.9 >=7.3.13 , which can be installed;
│ │ └─ numpy 1.26.4 would require
│ │ └─ pypy3.9 >=7.3.15 , which can be installed;
│ ├─ openmm [8.0.0|8.1.0|8.1.1|8.1.2|8.2.0] would require
│ │ ├─ python >=3.10,<3.11.0a0 , which can be installed;
│ │ └─ python_abi 3.10.* *_cp310, which can be installed;
│ ├─ openmm [8.0.0|8.1.0|8.1.1|8.1.2] would require
│ │ ├─ python >=3.8,<3.9.0a0 , which can be installed;
│ │ └─ python_abi 3.8.* *_cp38, which can be installed;
│ ├─ openmm 8.0.0 would require
│ │ └─ pypy3.9 >=7.3.12 , which can be installed;
│ ├─ openmm [8.0.0|8.1.0|8.1.1] would require
│ │ └─ pypy3.9 >=7.3.13 , which can be installed;
│ ├─ openmm [8.0.0|8.1.0|8.1.1|8.1.2|8.2.0] would require
│ │ ├─ python >=3.9,<3.10.0a0 , which can be installed;
│ │ └─ python_abi 3.9.* *_cp39, which can be installed;
│
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Build documentation
/home/runner/miniconda3/lib/python3.12/site-packages/conda/base/context.py:201: FutureWarning: Adding 'defaults' to channel list implicitly is deprecated and will be removed in 25.3.
To remove this warning, please choose a default channel explicitly with conda's regular configuration system, e.g. by adding 'defaults' to the list of channels:
conda config --add channels defaults
For more information see https://docs.conda.io/projects/conda/en/stable/user-guide/configuration/use-condarc.html
deprecated.topic(
|
|
Build documentation
The 'defaults' channel might have been added implicitly. If this is intentional, add 'defaults' to the 'channels' list. Otherwise, consider setting 'conda-remove-defaults' to 'true'.
|
|
Build documentation
LibMambaUnsatisfiableError: Encountered problems while solving:
- nothing provides _numpy_rc needed by numpy-2.1.0rc1-py310hf9f9071_0
Could not solve for environment specs
The following packages are incompatible
├─ numpy >=2.0 is installable with the potential options
│ ├─ numpy [1.23.5|1.24.3|...|2.2.2] would require
│ │ └─ python >=3.10,<3.11.0a0 , which can be installed;
│ ├─ numpy [1.23.5|1.24.3|...|2.0.2] would require
│ │ └─ python >=3.9,<3.10.0a0 , which can be installed;
│ ├─ numpy [1.26.0|1.26.2|...|2.2.2] would require
│ │ └─ python >=3.12,<3.13.0a0 , which can be installed;
│ ├─ numpy [1.23.5|1.24.0|...|2.2.2] would require
│ │ ├─ python >=3.10,<3.11.0a0 , which can be installed;
│ │ └─ python_abi 3.10.* *_cp310, which can be installed;
│ ├─ numpy [1.23.5|1.24.0|...|2.0.2] would require
│ │ ├─ python >=3.9,<3.10.0a0 , which can be installed;
│ │ └─ python_abi 3.9.* *_cp39, which can be installed;
│ ├─ numpy [1.26.0|1.26.2|...|2.2.2] would require
│ │ └─ python_abi 3.12.* *_cp312, which can be installed;
│ ├─ numpy [2.0.0|2.0.1|...|2.2.2], which can be installed;
│ ├─ numpy [2.1.0|2.1.1|...|2.2.2] would require
│ │ └─ python_abi 3.13.* *_cp313, which can be installed;
│ ├─ numpy [2.1.0rc1|2.2.0rc1] would require
│ │ └─ _numpy_rc, which does not exist (perhaps a missing channel);
│ └─ numpy [2.1.2|2.1.3|2.2.0|2.2.1|2.2.2] would require
│ └─ python_abi 3.13.* *_cp313t, which can be installed;
├─ openmm >=8 is installable with the potential options
│ ├─ openmm [8.0.0|8.1.0|8.1.1|8.1.2|8.2.0] would require
│ │ └─ numpy >=1.23.5,<2.0a0 with the potential options
│ │ ├─ numpy [1.23.5|1.24.3|...|2.2.2], which can be installed (as previously explained);
│ │ ├─ numpy [1.23.5|1.24.0|...|1.26.4] conflicts with any installable versions previously reported;
│ │ ├─ numpy [1.23.5|1.24.3] would require
│ │ │ └─ python >=3.8,<3.9.0a0 , which can be installed;
│ │ ├─ numpy [1.23.5|1.24.3|...|2.0.2], which can be installed (as previously explained);
│ │ ├─ numpy [1.26.0|1.26.2|...|2.2.2], which can be installed (as previously explained);
│ │ ├─ numpy [1.23.5|1.24.0|...|2.2.2], which can be installed (as previously explained);
│ │ ├─ numpy [1.23.5|1.24.0|...|1.24.4] would require
│ │ │ ├─ python >=3.8,<3.9.0a0 , which can be installed;
│ │ │ └─ python_abi 3.8.* *_cp38, which can be installed;
│ │ ├─ numpy [1.23.5|1.24.0|1.24.1] would require
│ │ │ └─ python_abi 3.8 *_pypy38_pp73, which can be installed;
│ │ ├─ numpy [1.23.5|1.24.0|...|2.0.2], which can be installed (as previously explained);
│ │ ├─ numpy [1.23.5|1.24.0|1.24.1] would require
│ │ │ └─ python_abi 3.9 *_pypy39_pp73, which can be installed;
│ │ ├─ numpy [1.24.2|1.24.3|1.24.4] would require
│ │ │ └─ pypy3.8 >=7.3.11 , which can be installed;
│ │ ├─ numpy [1.24.2|1.24.3|...|1.25.2] would require
│ │ │ └─ pypy3.9 >=7.3.11 , which can be installed;
│ │ ├─ numpy [1.26.0|1.26.2|...|2.2.2], which can be installed (as previously explained);
│ │ ├─ numpy 1.26.0 would require
│ │ │ └─ pypy3.9 >=7.3.12 , which can be installed;
│ │ ├─ numpy [1.26.2|1.26.3] would require
│ │ │ └─ pypy3.9 >=7.3.13 , which can be installed;
│ │ └─ numpy 1.26.4 would require
│ │ └─ pypy3.9 >=7.3.15 , which can be installed;
│ ├─ openmm [8.0.0|8.1.0|8.1.1|8.1.2|8.2.0] would require
│ │ ├─ python >=3.10,<3.11.0a0 , which can be installed;
│ │ └─ python_abi 3.10.* *_cp310, which can be installed;
│ ├─ openmm [8.0.0|8.1.0|8.1.1|8.1.2] would require
│ │ ├─ python >=3.8,<3.9.0a0 , which can be installed;
│ │ └─ python_abi 3.8.* *_cp38, which can be installed;
│ ├─ openmm 8.0.0 would require
│ │ └─ pypy3.9 >=7.3.12 , which can be installed;
│ ├─ openmm [8.0.0|8.1.0|8.1.1] would require
│ │ └─ pypy3.9 >=7.3.13 , which can be installed;
│ ├─ openmm [8.0.0|8.1.0|8.1.1|8.1.2|8.2.0] would require
│ │ ├─ python >=3.9,<3.10.0a0 , which can be installed;
│ │ └─ python_abi 3.9.* *_cp39, which can be installed;
│
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