Re: [Rdkit-discuss] Building RDKit on Windows
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2014-01-29 10:11:43
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On Wed, Jan 29, 2014 at 9:22 AM, James Davidson <J.D...@ve...>wrote: > > > > 7. Re-ran configure, then generate, then followed the rest of the > > > wiki instructions to build and test - all tests passed except the > > > dbCli one. > > > > > What was the DbCLI test failure? > > I just see " 76/82 Test #76: pythonTestDbCLI ..................***Failed > 50.66 sec" > > Try: ctest -V -R DbCLI that should run the test in Verbose mode so that you can see the failures. > I have now included the INCHI 1.04 source, and followed your Avalon steps > above. The AVALONTOOLS_DIR currently needs to be added manually in CMake > (but that's ok). I should also say that, just in case, I deleted the build > folder and cleared the CMake cache before this build attempt. I also > *definitely* re-ran the 'generate' command (a few times!) before > 'configure'. > Anyway, I now see more tests when running 'ctest' - which I think is due > to the addition of testInchi, testAvalonLib1, and pyAvalonTools - all of > which pass! I can also confirm that Chem.inchi.INCHI_AVAILABLE now returns > "True". > (pythonTestDbCLI still fails as before.) > Glad you got something working! -greg |