Comments (9)
python --version
Python 2.7.11
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which python
/Library/Frameworks/Python.framework/Versions/2.7/bin/python
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pip --version
pip 7.1.2 from /Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages (python 2.7)
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I just upgraded pip to 8.1.2
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Actually, this might be expected for the default mac system installation - everything needs to be installed with sudo
. @florencio-mazzoldi, could you try sudo pip install -U moldesign
?
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It all worked with sudo.
python -c "import moldesign; moldesign.data.print_environment()"
No config file found at /Users/flo/.moldesign/moldesign.yml - using defaults
{"env": {"platform": "darwin", "version": "2.7.11 (v2.7.11:6d1b6a68f775, Dec 5 2015, 12:54:16) \n[GCC 4.2.1 (Apple Inc. build 5666) (dot 3)]"}, "versions": {"Bio": "1.67", "jupyter": "???", "jupyter_client": "4.3.0", "pyccc": "0.6.5", "jupyter_core": "4.1.0", "openbabel": "FAILED", "matplotlib": "1.5.1", "moldesign": "0.7.2", "pyscf": "FAILED", "simtk": "FAILED", "IPython": "5.0.0", "docker": "1.9.0", "pint": "0.7.2", "numpy": "1.11.1", "ipywidgets": "5.2.2", "nbmolviz": "0.6.6"}}
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Reopening this, because the documentation needs to reflect that this pretty common situation! We certainly need to update the API docs, but should probably update the web page and readme as well.
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These appear to be general python/pip problems, not specific to MDT. Solution is to start pushing users towards conda packages.
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pip install --user
should work
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Related Issues (20)
- Tried to install in a jupyter docker container, failed HOT 5
- EPIC: Target workflows HOT 1
- GAFF is failing miserably with di-lignin from various formats HOT 1
- cannot import 'moldesign' after seems to be successful installation HOT 1
- Poor generated 3D structures
- Wrong bonding between residues surrounding missing ones HOT 1
- Most output formats destroy non-standard bond information HOT 1
- Wrong sidechain atoms returned from residue after copying
- Update version-pinned dependencies
- Molecule Visualization Error HOT 1
- QM/MM
- RuntimeError in python 2 - instantiating EnergyModels
- versioneer causes extraneous output in some docker containers
- Better interface compatibility with `concurrent.futures`
- IOErrors become OSErrors in Python 3
- Error creating new molecule
- Error building in mybinder HOT 4
- Protein Surface Visualization
- Error installing with pip HOT 3
- Codes about Molecular Visualization
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