Re: [Rdkit-discuss] any want to get the current RDKit version?
Open-Source Cheminformatics and Machine Learning
Brought to you by:
glandrum
From: Greg L. <gre...@gm...> - 2010-01-25 16:06:16
|
On Mon, Jan 25, 2010 at 2:06 PM, Andrew Dalke <da...@da...> wrote: > On Jan 25, 2010, at 6:29 AM, Greg Landrum wrote: >> Yeah, that's an oversight. I'll add the function "version()" to >> $RDBASE/rdkit/__init__.py for the release: >> [1]>>> import rdkit >> >> [2]>>> rdkit.version() >> Out[2] 'Q42009_1' > > Thanks. I'll add that to my code. Done. > >> Now I just need to remember to update that for each release... > > Add it to the "HowToReleaseRDKit.txt" file? Metaphorically speaking. 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. >> A question: I'm tempted to rearrange that output to the somewhat less >> human readable, but correctly sortable "2009Q4_1". What do you think? > > I think I live in Sweden, where many things are dated YYYY-MM-DD > and this would be better. I think having the quarter number and the > year not next to each other is nice. So I would do it. > > However, nothing I do is affected by the data ordering in the string. > > > What would be affected is distutils code. There are two versioning > styles it supports, Loose and Strict. > > http://pydoc.org/2.5.1/distutils.version.html > > The RDKit number is "Loose", and those are sorted lexically. > > Another thing which is sorted is directory listings. > > For those reasons I would also switch to lexical ordering. I just checked in the change. -greg |