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remove old and uneccesary deps. Clean up the syncing code
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Stefan Doerr committed Aug 23, 2019
1 parent 9e4b95f commit 6a5b071
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Showing 2 changed files with 9 additions and 9 deletions.
6 changes: 0 additions & 6 deletions package/htmd-deps/DEPENDENCIES
Expand Up @@ -12,11 +12,7 @@ ipython
jupyter_console
propka
notebook
ipywidgets ==7.0.0 # TODO: remove ==7.0.0 when nglview works without it: https://github.com/arose/nglview/issues/733#issuecomment-373045412
widgetsnbextension ==3.0.0 # TODO: remove this temporary dependency (and clean from acellera channel) when nglview works without it https://github.com/arose/nglview/issues/733#issuecomment-373045412
ipyparallel
htmd-data # This is a special case, already pinned due to its versioning based on hashes
anaconda-client
nglview
vina
psfgen
Expand All @@ -31,9 +27,7 @@ matplotlib
openbabel
openpyxl
acecloud-client
pcmsolver
dftd3
pyparsing
protocolinterface
mdtraj
networkx
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12 changes: 9 additions & 3 deletions sync_acellera_conda_channel_deps.py
Expand Up @@ -22,17 +22,23 @@
['omnia', 'openmm'],
['omnia', 'parmed'],
['omnia', 'ambermini'],
['omnia', 'bhmm'],
['omnia', 'funcsigs'],
['conda-forge', 'mdtraj'],
['conda-forge', 'msmtools'],
['openbabel', 'openbabel'],
['omnia', 'pint'],
# PYEMMA packages
['conda-forge', 'pyemma'],
['conda-forge', 'msmtools'],
['conda-forge', 'thermotools'],
['bioconda', 'nglview'],
['conda-forge', 'bhmm'],
# NGLview packages
['conda-forge', 'nglview'],
['conda-forge', 'widgetsnbextension'],
['conda-forge', 'ipywidgets'],
# RDkit packages
['rdkit', 'rdkit'],
['rdkit', 'boost'],
# NLOpt
['conda-forge', 'nlopt'],
]

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