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environment.yml
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environment.yml
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name: materials_chempy
channels:
- conda-forge
- defaults
dependencies:
- python=3.11.6
- pip
- pandas
- numpy
- matplotlib
- pip:
- pyopenms
- spectrum_overload
- metapub
- qiskit_sphinx_theme
- sphinx-reredirects
- sphinx-reredirects
- pybliometrics
- pygments-pytest
- anybadge
- sphinxcontrib-plot
# Test dependencies
- pytest
- coverage
- flake8
- unidecode
- coloredlogs
# Mass spectrometry dependencies
# Spectrophotometry dependencies
- astropy
- scipy
# Database analysis dependencies
- lxml
- pytrends
- httpx
# Chromatography dependencies
- astropy
- specutils
- distinctipy
# Documentation dependencies
- sphinx
- reno
- nbsphinx
- sphinx-remove-toctrees
- sphinx-copybutton
- numpydoc
- sphinx-design
- sphinx-autodoc-typehints
- sphinx-togglebutton
- docutils
- sphinx-toolbox