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2 parents 4369b30 + aae7d49 commit 0d92c5aCopy full SHA for 0d92c5a
docs/conf.py
@@ -17,9 +17,6 @@
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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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-
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# -- Project information -----------------------------------------------------
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project = 'MD-SAPT'
docs/requirements.yaml
@@ -1,25 +1,10 @@
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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
- - pdbfixer=1.6
- - pandas
- - numpy>=1, <2
- - nglview>=3.0.3, <3.1
- - pyyaml
- # Pip-only installs
- - pip:
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