We're having trouble getting RDKit to work in a PyCharm project using an
Anaconda interpreter (Python 2.7), on Windows 8.1.
Has anyone had success with this and can guide us?
The trouble is we get an
ImportError: DLL load failed: The specified module could not be found.
when trying to import rdkit (or rdBase).
We have tried many variations of the following, but here is a basic recipe of
what does/doesn't work:
1. Make a new conda environment (called 'eg1'), install rdkit ('conda install
-c rdkit rdkit')
2. From a cmd.exe prompt, use this environment ('activate eg1') load python
('python') and import rdkit ('import rdkit') it works fine.
3. From PyCharm, create a Project Interpreter (pointing to
'C:\Anaconda2\envs\eg1\python.exe'), and use this to run a script or create a
new Python Console in which you 'import rdkit', leading to the "DLL load
failed" message.
4. We have tried manually adding a bunch of things to the "Interpreter Paths"
in PyCharm, but without success (perhaps we just didn't add the right thing).
----
Update: just before I hit "send" on this request for help, we stumbled across
this posting of the same problem, and solution, from Christian Ribeaud:
https://intellij-support.jetbrains.com/hc/en-us/community/posts/115000244450-DLL-load-failed
It seems that if we open cmd.exe, activate the environment, and then launch
PyCharm exe from there, it works.
I'm sharing this here because it took us a while to find the other post, but
also to ask: is there a "better" way?
Cheers,
Richard
--
Richard H. West, Ph.D.
Assistant Professor, Department of Chemical Engineering,
Northeastern University, 360 Huntington Ave, Boston, MA 02115
http://northeastern.edu/comocheng Phone: 617-373-5163
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