Re: [Rdkit-devel] Beta of Q1 2016 release now up

2016-04-13 Thread Greg Landrum
On Wed, Apr 13, 2016 at 8:43 PM, Gianluca Sforna wrote: > On Wed, Apr 13, 2016 at 12:27 PM, Greg Landrum > wrote: > > Wow, that's a "typing in the wrong buffer" bug. > > Great catch. > > :) > > Another couple points. > I noticed the RDKit_Overview.pdf file is not there anymore. Was it > integrat

Re: [Rdkit-devel] Beta of Q1 2016 release now up

2016-04-13 Thread Gianluca Sforna
On Wed, Apr 13, 2016 at 12:27 PM, Greg Landrum wrote: > Wow, that's a "typing in the wrong buffer" bug. > Great catch. :) Another couple points. I noticed the RDKit_Overview.pdf file is not there anymore. Was it integrated in the main manual, moved somewhere else or just removed? Regarding Post

Re: [Rdkit-devel] Beta of Q1 2016 release now up

2016-04-13 Thread Greg Landrum
Wow, that's a "typing in the wrong buffer" bug. Great catch. I will check in the fix in the next couple of minutes. On Wed, Apr 13, 2016 at 12:09 PM, Gianluca Sforna wrote: > I bisected with git the issue, it popped up after commit b76d1a9 last > december. > > I know almost nothing about flex &

Re: [Rdkit-devel] Beta of Q1 2016 release now up

2016-04-13 Thread Gianluca Sforna
I bisected with git the issue, it popped up after commit b76d1a9 last december. I know almost nothing about flex & bison, but I noticed a suspicious change in the diff, and indeed the following patch fixes the build: diff --git a/Code/GraphMol/SmilesParse/smiles.ll b/Code/GraphMol/SmilesParse/sm

Re: [Rdkit-devel] Beta of Q1 2016 release now up

2016-04-13 Thread Greg Landrum
Hi Gianluca, On Tue, Apr 12, 2016 at 1:09 PM, Gianluca Sforna wrote: > > But no joy still > > > [ 36%] Building CXX object > Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o > cd > /builddir/build/BUILD/rdkit-Release_2016_03_1b1/python2/Code/GraphMol/SmilesParse > && /

Re: [Rdkit-devel] Beta of Q1 2016 release now up

2016-04-12 Thread Gianluca Sforna
On Tue, Apr 12, 2016 at 11:51 AM, Gianluca Sforna wrote: > On Mon, Apr 11, 2016 at 1:20 PM, Greg Landrum wrote: >> This could be the issue fixed by this PR from Matt Swain: >> https://github.com/rdkit/rdkit/pull/856 > > Yeah, that's it. Thanks! But no joy still [ 36%] Building CXX object C

Re: [Rdkit-devel] Beta of Q1 2016 release now up

2016-04-12 Thread Gianluca Sforna
On Mon, Apr 11, 2016 at 1:20 PM, Greg Landrum wrote: > This could be the issue fixed by this PR from Matt Swain: > https://github.com/rdkit/rdkit/pull/856 Yeah, that's it. Thanks! -- Gianluca Sforna http://plus.google.com/+gianlucasforna - http://twitter.com/giallu Tinker Garage - http://tin

Re: [Rdkit-devel] Beta of Q1 2016 release now up

2016-04-11 Thread Greg Landrum
Gianluca, This could be the issue fixed by this PR from Matt Swain: https://github.com/rdkit/rdkit/pull/856 -greg On Mon, Apr 11, 2016 at 12:32 PM, Gianluca Sforna wrote: > On Thu, Apr 7, 2016 at 6:24 AM, Greg Landrum > wrote: > > I have tagged a beta of the next RDKit release here: > > http

Re: [Rdkit-devel] Beta of Q1 2016 release now up

2016-04-11 Thread Gianluca Sforna
On Thu, Apr 7, 2016 at 6:24 AM, Greg Landrum wrote: > I have tagged a beta of the next RDKit release here: > https://github.com/rdkit/rdkit/releases/tag/Release_2016_03_1b1 Tried to rebuild the RPMs but got this right on cmake: -- Found INCHI: /usr/lib64/libinchi.so CMake Error at External/INCH