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Merge pull request #28 from calpolyccg/simple-docs-reqs
Optimize docs builds
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docs/conf.py

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import sys
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sys.path.insert(0, os.path.abspath('..'))
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import mdsapt
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# -- Project information -----------------------------------------------------
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project = 'MD-SAPT'

docs/requirements.yaml

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name: docs
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channels:
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- omnia
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- psi4
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- conda-forge
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- defaults
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dependencies:
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# Base depends
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- python
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- pip
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- sphinx
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- sphinx_rtd_theme
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- mdanalysis>=2.0.0, <2.1
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- psi4=1.4
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- rdkit>=2020.09.3
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- openmm=7.5.1
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- pdbfixer=1.6
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- pandas
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- numpy>=1, <2
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- nglview>=3.0.3, <3.1
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- pyyaml
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# Pip-only installs
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- pip:
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