Re: [Rdkit-discuss] any want to get the current RDKit version?
Open-Source Cheminformatics and Machine Learning
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From: Andrew D. <da...@da...> - 2010-01-25 17:07:43
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On Jan 25, 2010, at 5:05 PM, Greg Landrum wrote: > ha... if only I could do metaphorical releases. > Improving the release process is on my list of things that ought to be > done. The cmake-based build system should make that easier, but it's > still going to take some time. Just remember, metaphorical releases are not like a piece of cake, they *are* a piece of cake. Since otherwise it would be a simile. > I just checked in the change. Okay. Now in a related question, I read ****** Release_Q32009_1 ******* (Changes relative to Release_Q22009_1) !!!!!! IMPORTANT !!!!!! - Due to bug fixes in the boost random-number generator, RDK fingerprints generated with boost 1.40 are not backwards compatible with those from earlier versions. Is there any way to get this version information as well? Ideally I would like a short, identifier which uniquely identifies the fingerprint scheme, but I'm happy enough to synthesize my own if I have base information. This might be the boost version, or a bit of code which acts differently depending on the underlying operations. Cheer, Andrew da...@da... |