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Add conda dev environment
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emarinri committed Nov 12, 2024
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24 changes: 24 additions & 0 deletions devtools/conda-envs/dev_env.yaml
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name: dev_env
channels:
- conda-forge
- defaults
dependencies:
# Base depends
- python
- networkx
- pytest
- pytest-cov
- pandas
- unyt
- foyer
- mbuild
- gmso >= 0.11.1
- pycifrw
- garnett
- constrainmol
- parmed
- cassandra
- openbabel
- black
- sphinx
- shinx_rtd_theme

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