Hi RDKitters,
So I've successfully installed RDKit from the *svn trunk* on a brand new
Ubuntu Server 12.10 64-bit VM.
All 77/77 tests passed. Yay.
When I tried to build the cartridge against psql 9.1.8, 4/8 tests failed:
## Build RDKit Cartridge
cd $RDBASE/Code/PgSQL/rdkit
make
sudo make
These are due to some ongoing changes in the rdkit fingerprint. Don't worry
about them.
I will fix those tests after the fingerprint changes settle down, definitely
before the next release.
-greg
On Mar 21, 2013, at 1:22 PM, George Papadatos gpapada...@gmail.com wrote:
Hi RDKitters,
So
Ah, many thanks for the clarification Greg.
Are these changes related to the problematic phenanthrene substructure
query?
When is the new release scheduled for?
Cheers,
George
EMBL-EBI
On 21 March 2013 17:58, greg landrum greg.land...@gmail.com wrote:
These are due to some ongoing changes
George,
On Thu, Mar 21, 2013 at 8:28 PM, George Papadatos gpapada...@gmail.com wrote:
Ah, many thanks for the clarification Greg.
Are these changes related to the problematic phenanthrene substructure
query?
Not directly. They're focused on improving the performance of the
fingerprinter and
On 2012-05-31 07:52, Greg Landrum wrote:
On Wed, May 30, 2012 at 4:50 PM, Greg Landrumgreg.land...@gmail.com wrote:
On Wed, May 30, 2012 at 4:13 PM, Jan Holst Jensenj...@biochemfusion.com
wrote:
My failing Linux Mint is 32-bit like George's 12.04. Don't know if it is
significant but it
On Thu, May 31, 2012 at 7:52 AM, Greg Landrum greg.land...@gmail.com wrote:
The cartridge should build successfully and the tests should all pass
except bfpgist-91. That one will fail because two molecules with
identical similarity come back in a different order. I just checked in
a fix for
Hi Jan,
I followed your advice and I added the new repo, however the problem still
persists:
georgep@george-VB:~$ sudo apt-get install postgresql
postgresql-server-dev-all
Reading package lists... Done
Building dependency tree
Reading state information... Done
The following extra packages will
On 12.04 you do not need to add the PPA, PostgreSQL 9.1 is the
official package there. In addition, the official packages are also
provided by Martin Pitt, so the packages in the PPA and in the distro
are actually the same. It only make sense on 10.04 (and those that do
not ship with 9.1).
I
On 2012-05-30 11:28, George Papadatos wrote:
Hi Jan,
I followed your advice and I added the new repo, however the problem
still persists:
[...]
Again, _all_ the tests fail as do the create extension attempts.
I even tried explicit postgresql-9.1 and postgresql-9.2 (beta version)
but
On 2012-05-30 13:24, George Papadatos wrote:
Thanks to both of you.
I do not know how to check for the PG_VERSION_NUM.
Hi George,
I think the snippets below should do it. It shows what my Linux Mint
machine thinks. It seems to be reporting the correct version though,
even though it fails to
On 2012-05-30 13:24, George Papadatos wrote:
Thanks to both of you.
I do not know how to check for the PG_VERSION_NUM. I tried to edit to
guc.c by removing the conditional check of the PG_VERSION but with the
same results:
Adrian, is this what you meant?
DefineCustomRealVariable(
Hi Jan,
Mine is exactly the same:
gcc test.c -I/usr/include/postgresql/9.1/server;./a.out
90103
So, I am back to square 1!
I am starting to get a bit desperate here, has anyone ever successfully
built the cartridge from the trunk on a plain Ubuntu 12.04?
Many thanks for your help,
George
On
Yes, I could build and install the cartridge without problems
(Release_2012.03.1) on 12.04.
On Wed, May 30, 2012 at 2:23 PM, George Papadatos gpapada...@gmail.com wrote:
Hi Jan,
Mine is exactly the same:
gcc test.c -I/usr/include/postgresql/9.1/server;./a.out
90103
So, I am back to square
I was also able to do this build. I will repeat the process this
evening and take notes as I do so. I'll post either this evening or
first thing tomorrow morning.
-greg
On Wed, May 30, 2012 at 3:26 PM, Adrian Schreyer ams...@cam.ac.uk wrote:
Yes, I could build and install the cartridge without
How odd. Adrian, are you using a 32-bit or 64-bit version of Ubuntu 12.04 ?
Cheers
-- Jan
On 2012-05-30 15:26, Adrian Schreyer wrote:
Yes, I could build and install the cartridge without problems
(Release_2012.03.1) on 12.04.
On Wed, May 30, 2012 at 2:23 PM, George
Compare it with this one:
georgep@george-VB:~/local/rdkit/rdkit_trunk/Code/PgSQL/rdkit$ make
installcheck
/usr/lib/postgresql/9.1/lib/pgxs/src/makefiles/../../src/test/regress/pg_regress
--inputdir=. --psqldir='/usr/lib/postgresql/9.1/bin'
--dbname=contrib_regression rdkit-91 props btree molgist
My failing Linux Mint is 32-bit like George's 12.04. Don't know if it is
significant but it could be that the problem only occurs on 32-bit.
Greg mentioned that he has successfully built and tested on Ubuntu 12.04
- was that 64-bit or 32-bit ?
Cheers
-- Jan
On 2012-05-30 15:49, Adrian
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