Integrate openmm
into biotite.interface.openmm
#805
Annotations
1 error and 3 warnings
Run conda-incubator/setup-miniconda@v3
The process '/home/runner/miniconda3/condabin/mamba' failed with exit code 1
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Run conda-incubator/setup-miniconda@v3
/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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Run conda-incubator/setup-miniconda@v3
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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Run conda-incubator/setup-miniconda@v3
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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