Re: [Rdkit-devel] Beta of Q3 2013 release available

2013-10-25 Thread Greg Landrum
On Fri, Oct 25, 2013 at 9:20 AM, Gianluca Sforna  wrote:

> On Thu, Oct 24, 2013 at 1:26 PM, Greg Landrum 
> wrote:
> >
> >
> > Is the source actually present in
> > /builddir/build/BUILD/Release_2013_09_1beta1/Code?
>
> Got it. The beta tar.gz extracts code into
> rdkit-Release_2013_09_1beta1 so I need to update the RDBASE export
> before the cartridge compilation
>
>
Doh! Yes, of course that's it.

That .tar.gz is automatically generated by github and I don't think it's
possible to change the root dir.

-greg

thanks
>
> G.
>
>
> --
> Gianluca Sforna
>
> http://morefedora.blogspot.com
> http://identi.ca/giallu - http://twitter.com/giallu
>
--
October Webinars: Code for Performance
Free Intel webinars can help you accelerate application performance.
Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from 
the latest Intel processors and coprocessors. See abstracts and register >
http://pubads.g.doubleclick.net/gampad/clk?id=60135991&iu=/4140/ostg.clktrk___
Rdkit-devel mailing list
Rdkit-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-devel


Re: [Rdkit-devel] Beta of Q3 2013 release available

2013-10-25 Thread Gianluca Sforna
On Thu, Oct 24, 2013 at 1:26 PM, Greg Landrum  wrote:
>
>
> Is the source actually present in
> /builddir/build/BUILD/Release_2013_09_1beta1/Code?

Got it. The beta tar.gz extracts code into
rdkit-Release_2013_09_1beta1 so I need to update the RDBASE export
before the cartridge compilation

thanks

G.


-- 
Gianluca Sforna

http://morefedora.blogspot.com
http://identi.ca/giallu - http://twitter.com/giallu

--
October Webinars: Code for Performance
Free Intel webinars can help you accelerate application performance.
Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from 
the latest Intel processors and coprocessors. See abstracts and register >
http://pubads.g.doubleclick.net/gampad/clk?id=60135991&iu=/4140/ostg.clktrk
___
Rdkit-devel mailing list
Rdkit-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-devel


Re: [Rdkit-devel] Beta of Q3 2013 release available

2013-10-24 Thread Greg Landrum
On Thu, Oct 24, 2013 at 11:35 AM, Gianluca Sforna  wrote:
>
> Tried to rebuild the RPMs for Fedora 20, fails at the cartridge with:
>
> g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions
> -fstack-protector-strong --param=ssp-buffer-size=4
> -grecord-gcc-switches -m64 -mtune=generic -Wno-unused-function
> -I/usr/local/include
> -I/builddir/build/BUILD/Release_2013_09_1beta1/Code
> -DRDKITVER='"007100"' -I/usr/local/include
> -I/builddir/build/BUILD/Release_2013_09_1beta1/Code
> -DRDKITVER='"007100"'   -I. -I. -I/usr/include/pgsql/server
> -I/usr/include/pgsql/internal -D_GNU_SOURCE -I/usr/include/libxml2
> -fPIC -c -o adapter.o adapter.cpp
> adapter.cpp:32:32: fatal error: GraphMol/RDKitBase.h: No such file or
> directory
>  #include 
> ^
> compilation terminated.
>

Is the source actually present in
 /builddir/build/BUILD/Release_2013_09_1beta1/Code?

The makefile uses (the equivalent of) -I$RDBASE/Code and assumes that
GraphMol is under that.

-greg
--
October Webinars: Code for Performance
Free Intel webinars can help you accelerate application performance.
Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from 
the latest Intel processors and coprocessors. See abstracts and register >
http://pubads.g.doubleclick.net/gampad/clk?id=60135991&iu=/4140/ostg.clktrk___
Rdkit-devel mailing list
Rdkit-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-devel


Re: [Rdkit-devel] Beta of Q3 2013 release available

2013-10-24 Thread Gianluca Sforna
On Thu, Oct 24, 2013 at 5:28 AM, Greg Landrum  wrote:
> Here's the github download link:
> https://github.com/rdkit/rdkit/archive/Release_2013_09_1beta1.tar.gz
>

Tried to rebuild the RPMs for Fedora 20, fails at the cartridge with:

g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions
-fstack-protector-strong --param=ssp-buffer-size=4
-grecord-gcc-switches -m64 -mtune=generic -Wno-unused-function
-I/usr/local/include
-I/builddir/build/BUILD/Release_2013_09_1beta1/Code
-DRDKITVER='"007100"' -I/usr/local/include
-I/builddir/build/BUILD/Release_2013_09_1beta1/Code
-DRDKITVER='"007100"'   -I. -I. -I/usr/include/pgsql/server
-I/usr/include/pgsql/internal -D_GNU_SOURCE -I/usr/include/libxml2
-fPIC -c -o adapter.o adapter.cpp
adapter.cpp:32:32: fatal error: GraphMol/RDKitBase.h: No such file or directory
 #include 
^
compilation terminated.

Did I mess up something?

-- 
Gianluca Sforna

http://morefedora.blogspot.com
http://identi.ca/giallu - http://twitter.com/giallu

--
October Webinars: Code for Performance
Free Intel webinars can help you accelerate application performance.
Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from 
the latest Intel processors and coprocessors. See abstracts and register >
http://pubads.g.doubleclick.net/gampad/clk?id=60135991&iu=/4140/ostg.clktrk
___
Rdkit-devel mailing list
Rdkit-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-devel