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kmansouri / OPERA

Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. ==================>Download the latest compiled version from the "releases" tab and run the executable installer.
MIT License
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Potentially missing setup.py from libOPERA2.8_Py.tar.gz? #27

Closed popenc closed 2 years ago

popenc commented 2 years ago

I recently upgraded from v2.6 to v2.8.2. For v2.6 I've been using Docker to build and install OPERA that downloads the *_Py.tar.gz release, unzips, cd's into the unzipped directly, and runs "python setup.py install". This method works with v2.6.

For v2.8 (https://github.com/kmansouri/OPERA/releases/download/v2.8.2/libOPERA2.8_Py.tar.gz), when I unzip the contents and look at what's inside the unzipped folder, I am no longer seeing a setup.py file and my Docker build fails as it can't find the setup module.

Has the installation of libOPERA2.8_Py changed since version 2.6?

thanks!

popenc commented 2 years ago

Here's a screenshot of the folder structures between v2.6 and v2.8 for the *_Py releases: opera_py_issue27

I ended up switching to the OPERA2.8_CL_mcr.tar.gz release for v2.8 and that works great.

Also, thanks for making OPERA! Our team is a big fan.

popenc commented 2 years ago

After running OPERA2.8_Py_mcr.install -mode silent -agreeToLicense yes in the unzipped libOPERA2_Py directly, the setup.py module and other application content does to the default installation directory, which is /usr/local/bin/OPERA/application from my testing.

Running the setup.py module from that default location successfully builds the OPERA Python library.

Closing this issue as nothing is broken but wanted to post this in case someone else ran into the issue.