Re: [Rdkit-devel] InChI 1.05
Open-Source Cheminformatics and Machine Learning
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From: Igor F. <igo...@gm...> - 2017-02-23 13:48:41
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I did run the tests and they went through just fine. Igor On Thu, Feb 23, 2017 at 8:47 AM, Gianluca Sforna <gi...@gm...> wrote: > On Thu, Feb 23, 2017 at 4:55 AM, Igor Filippov > <igo...@gm...> wrote: > > As InChI 1.05 is officially out I've tinkered with RDKit build system a > bit > > to include the new version. Two updated files - CMakeLists.txt and > > download-inchi.sh > > from External/INCHI-API/ are attached in case it may be useful to others. > > Did you try and run the tests after compiling rdkit against 1.05? IIRC > I had failing tests with prereleases > > > -- > Gianluca Sforna > > http://plus.google.com/+gianlucasforna - http://twitter.com/giallu > Tinker Garage - http://tinkergarage.it > |