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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