Opened 7 years ago
Closed 6 years ago
#1683 closed defect (wontfix)
Can't install OpenEye from pip
| Reported by: | Tristan Croll | Owned by: | Conrad Huang |
|---|---|---|---|
| Priority: | major | Milestone: | |
| Component: | Tool Shed | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
Installs fine in a regular Python 3.7 virtualenv, but if I attempt to install in ChimeraX I get the traceback below. From reading the setup.py, it appears it expects the directory where the tarball expands to be on the PYTHONPATH. Would be great to be able to install it - it's required for openforcefield, which appears to be the most straightforward path towards supporting ligands in OpenMM.
chimerax-daily -m pip install -i https://pypi.anaconda.org/OpenEye/simple OpenEye-toolkits
Looking in indexes: https://pypi.anaconda.org/OpenEye/simple
Collecting OpenEye-toolkits
Downloading https://pypi.anaconda.org/openeye/simple/openeye-toolkits/2018.10.1/OpenEye-toolkits-2018.10.1.tar.gz
Complete output from command python setup.py egg_info:
ERROR:
Traceback (most recent call last):
File "/opt/UCSF/ChimeraX-daily/lib/python3.7/runpy.py", line 193, in
_run_module_as_main
"__main__", mod_spec)
File "/opt/UCSF/ChimeraX-daily/lib/python3.7/runpy.py", line 85, in
_run_code
exec(code, run_globals)
File "/opt/UCSF/ChimeraX-daily/lib/python3.7/site-
packages/ChimeraX_main.py", line 807, in <module>
exit_code = init(sys.argv)
File "/opt/UCSF/ChimeraX-daily/lib/python3.7/site-
packages/ChimeraX_main.py", line 692, in init
exec(opts.cmd, global_dict)
File "<string>", line 1, in <module>
File "/tmp/pip-install-yc4vexjg/OpenEye-toolkits/setup.py", line 11, in
<module>
from openeye_platform import openeye_platform, openeye_python_version
ModuleNotFoundError: No module named 'openeye_platform'
----------------------------------------
Command "python setup.py egg_info" failed with error code 1 in /tmp/pip-install-yc4vexjg/OpenEye-toolkits/
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Can you try installing it using Python instead of ChimeraX? The only reason to use ChimeraX to install packages is to make sure the tool cache gets updated. Since OpenEye isn't a ChimeraX-specific package, it should not matter whether Python or ChimeraX is used for installation. (As a guess, it looks like the "openeye-toolkits" installation depends on "openeye_platform", but there is no dependency listed?)
Conrad