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 <[email protected]> wrote:
> 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 <[email protected]>
> wrote:
>
> 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 install
> make installcheck
>
> ============== dropping database "contrib_regression" ==============
> NOTICE: database "contrib_regression" does not exist, skipping
> DROP DATABASE
> ============== creating database "contrib_regression" ==============
> CREATE DATABASE
> ALTER DATABASE
> ============== running regression test queries ==============
> test rdkit-91 ... FAILED
> test props ... ok
> test btree ... FAILED
> test molgist ... ok
> test bfpgist-91 ... FAILED
> test sfpgist ... ok
> test slfpgist ... ok
> test fps ... FAILED
>
> ======================
> 4 of 8 tests failed.
> ======================
>
> However, the following works:
>
> createdb test
> psql test
>
> psql (9.1.8)
> Type "help" for help.
>
> test=# create extension "rdkit";
> CREATE EXTENSION
> test=# show rdkit.tanimoto_threshold;
> rdkit.tanimoto_threshold
> --------------------------
> 0.5
> (1 row)
>
> test=# select 'c1ccccc1O'::mol;
> mol
> -----------
> Oc1ccccc1
> (1 row)
>
> Any ideas?
>
> Many thanks in advance,
>
> George
> EMBL-EBI
>
>
>
>
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