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Linux CL_Par build doesn't ship knime, adding knime result in error #46

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AlexisBrgn opened this issue Jan 30, 2025 · 0 comments
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@AlexisBrgn
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AlexisBrgn commented Jan 30, 2025

Thank you for this software.
I've installed and used the UI linux version without issue on my machine.
Recently I needed to integrate the computation into a script so I downloaded the CL_par linux version.
When installing, no knime folder is created.
Running the command with -st parameter results in the error :

Generating QSAR-ready structures...
Error using OPERA_par
No matching files named '/usr/OPERA/application/knime_4.5.1/knime-workspace/QSAR-ready_2.5.10' were found.

Suggesting knime should have been installed there...
If I add a knime folder w/ workspace from QSAR-ready it will also complain at the lack of InputSample and abort.

The issue can be fixed by the following and undesirable "hack" :
copying a knime folder from another OPERA install (and verifying you have -rwx rights sets for all the knime files) into /usr/OPERA/application/, and adding the workflows of the install to $HOME/knime-workflow/.

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