Re: [Rdkit-devel] Cartridge and PostgreSQL 9.1

[Greg L. <gre...@gm...>]

On Sun, Oct 23, 2011 at 7:43 PM, Adrian Schreyer <am...@ca...> wrote:
>
> SET search_path = 'public' is not required in 9.1 and will throw an
> error if I remember correctly - the schema can be set at any time with
> ALTER EXTENSION SET SCHEMA = <schema> if the relocatable = true flag
> is set in the extension control file.

Fixed.

> It is possible to have only one Makefile for 9.1 and <9.1. The only
> thing that is necessary is to have a conditional inside the Makefile
> to change the DATA variable to the rdkit--3.1.sql file. Here is an
> example from the pair extension Makefile
> (http://api.pgxn.org/src/pair/pair-0.1.3/Makefile):
>
> PG91 = $(shell $(PG_CONFIG) --version | grep -qE " 8\.| 9\.0" && echo
> no || echo yes)
>
> ifeq ($(PG91),yes)
> all: sql/$(EXTENSION)--$(EXTVERSION).sql
>
> sql/$(EXTENSION)--$(EXTVERSION).sql: sql/$(EXTENSION).sql
>        cp $< $@
>
> DATA = $(wildcard sql/*--*.sql) sql/$(EXTENSION)--$(EXTVERSION).sql
> EXTRA_CLEAN = sql/$(EXTENSION)--$(EXTVERSION).sql
> endif
>

I'll take a look at this over the next day or so.

> 9.1 Also introduces the ability to upgrade extensions in place with
> ALTER EXTENSION UPDATE (using update scripts) without dropping all
> data types and functions. This is especially useful I think if the
> data types haven't changed and only new functions were introduced,
> avoiding the need to recreate all molecules, fingerprints and indexes
> again. This might be something for a future version.

That's a good one for the wiki/docs/

> I have added the -march=native flag to my Makefile, I'm not sure if
> this would cause problems for people creating packages for RDKit. Have
> you tried this flag for compiling RDKit itself? I would be curious
> about the performance gains, if any.

Using the timings script ($RDBASE/Regress/Scripts/timings.py) I don't
see a measurable difference on my standard build/test machine. That's
a crude test, the run times are too short, but it's at least an
indicator that the differences aren't large.

-greg