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Merge pull request #515 from padix-key/environment
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Structure `environment.yml`
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padix-key authored Dec 17, 2023
2 parents 971def4 + 4a73f8a commit 827640b
Showing 1 changed file with 22 additions and 16 deletions.
38 changes: 22 additions & 16 deletions environment.yml
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dependencies:
- python =3.10
- setuptools >=30.0
# Package building
- cython >=3.0
- pip >=10.0
- setuptools >=30.0
- wheel >=0.30
- requests >=2.12
- numpy >=1.15
- scipy >=1.8.0
- scikit-learn >=0.18
- networkx >=2.0
- pydot >=1.4
# Biotite dependencies
- msgpack-python >=0.5.6
- cython >=3.0
- networkx >=2.0
- numpy >=1.15
- requests >=2.12
# Testing
- mdtraj >=1.9.3
- matplotlib >=3.3
- pytest >=5.2
- sphinx >=5.0
- sphinx-gallery =0.11.1
- sphinxcontrib-bibtex >=2.3
- numpydoc >=0.8
- dssp
# Interfaced software in biotite.application
- autodock-vina
- clustalo
- dssp
- mafft
- muscle =3
- sra-tools
- autodock-vina
- viennarna >=2.5.0
- tantan
- viennarna >=2.5.0
# Documentation building
- matplotlib >=3.3
- numpydoc >=0.8
- sphinx >=5.0
- sphinxcontrib-bibtex >=2.3
- sphinx-gallery =0.11.1
# Extra packages used in example gallery
- pandas >=1.5.2
- pydot >=1.4
- scikit-learn >=0.18
- scipy >=1.8.0

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