Re: [Rdkit-discuss] install rdkit cartridge
Dear Tim, please take a look at this README in your installation: your RDKit folder/Code/PgSQL/rdkit/README It essentially boils down to this: cd $RDBASE/Code/PgSQL/rdkit $ make $ sudo make install $ make installcheck (only the second step has to be performed as root) Kind regards, Axel On 04/24/2015 01:33 PM, Tim Dudgeon wrote: How to install RDKit cartridge? The instructions here show how to use it, but not how to install it. http://www.rdkit.org/docs/Cartridge.html I have RDKit and PostgreSQL installed from the corresponding Debian packages, but alas no cartridge :-( Tim -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] install rdkit cartridge
Hi Tim, I'm not sure about this, but I think that in order to use the cartridge you have to build RDKit and cartridge from source. Regards, Christos Kannas Sent from my Galaxy Note 4. On 24 Apr 2015 13:47, Tim Dudgeon tdudgeon...@gmail.com wrote: Is it possible when using the packages? I'm trying to get a reproducible build process so prefer not to have to build from sources. Tim On 24/04/2015 13:29, Axel Pahl wrote: The instructions below appliy to the RDKit installation from source and are probably not applicable to the Debian package, sorry for generating confusion. Kind regards, Axel On 04/24/2015 02:24 PM, Axel Pahl wrote: Dear Tim, please take a look at this README in your installation: your RDKit folder/Code/PgSQL/rdkit/README It essentially boils down to this: cd $RDBASE/Code/PgSQL/rdkit $ make $ sudo make install $ make installcheck (only the second step has to be performed as root) Kind regards, Axel On 04/24/2015 01:33 PM, Tim Dudgeon wrote: How to install RDKit cartridge? The instructions here show how to use it, but not how to install it. http://www.rdkit.org/docs/Cartridge.html I have RDKit and PostgreSQL installed from the corresponding Debian packages, but alas no cartridge :-( Tim -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] install rdkit cartridge
Is it possible when using the packages? I'm trying to get a reproducible build process so prefer not to have to build from sources. Tim On 24/04/2015 13:29, Axel Pahl wrote: The instructions below appliy to the RDKit installation from source and are probably not applicable to the Debian package, sorry for generating confusion. Kind regards, Axel On 04/24/2015 02:24 PM, Axel Pahl wrote: Dear Tim, please take a look at this README in your installation: your RDKit folder/Code/PgSQL/rdkit/README It essentially boils down to this: cd $RDBASE/Code/PgSQL/rdkit $ make $ sudo make install $ make installcheck (only the second step has to be performed as root) Kind regards, Axel On 04/24/2015 01:33 PM, Tim Dudgeon wrote: How to install RDKit cartridge? The instructions here show how to use it, but not how to install it. http://www.rdkit.org/docs/Cartridge.html I have RDKit and PostgreSQL installed from the corresponding Debian packages, but alas no cartridge :-( Tim -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] install rdkit cartridge
The instructions below appliy to the RDKit installation from source and are probably not applicable to the Debian package, sorry for generating confusion. Kind regards, Axel On 04/24/2015 02:24 PM, Axel Pahl wrote: Dear Tim, please take a look at this README in your installation: your RDKit folder/Code/PgSQL/rdkit/README It essentially boils down to this: cd $RDBASE/Code/PgSQL/rdkit $ make $ sudo make install $ make installcheck (only the second step has to be performed as root) Kind regards, Axel On 04/24/2015 01:33 PM, Tim Dudgeon wrote: How to install RDKit cartridge? The instructions here show how to use it, but not how to install it. http://www.rdkit.org/docs/Cartridge.html I have RDKit and PostgreSQL installed from the corresponding Debian packages, but alas no cartridge :-( Tim -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] install rdkit cartridge
Hi Tim, I don't think the cartridge is made available as part of the debian packaging. Gianluca includes it as part of his fedora packages ( https://copr.fedoraproject.org/coprs/giallu/rdkit/) but I believe that it's not there for debian. You might try asking on the debichem list ( http://lists.alioth.debian.org/mailman/listinfo/debichem-users) to see if anyone is willing to add the cartridge to the debichem packages. -greg On Fri, Apr 24, 2015 at 2:47 PM, Tim Dudgeon tdudgeon...@gmail.com wrote: Is it possible when using the packages? I'm trying to get a reproducible build process so prefer not to have to build from sources. Tim On 24/04/2015 13:29, Axel Pahl wrote: The instructions below appliy to the RDKit installation from source and are probably not applicable to the Debian package, sorry for generating confusion. Kind regards, Axel On 04/24/2015 02:24 PM, Axel Pahl wrote: Dear Tim, please take a look at this README in your installation: your RDKit folder/Code/PgSQL/rdkit/README It essentially boils down to this: cd $RDBASE/Code/PgSQL/rdkit $ make $ sudo make install $ make installcheck (only the second step has to be performed as root) Kind regards, Axel On 04/24/2015 01:33 PM, Tim Dudgeon wrote: How to install RDKit cartridge? The instructions here show how to use it, but not how to install it. http://www.rdkit.org/docs/Cartridge.html I have RDKit and PostgreSQL installed from the corresponding Debian packages, but alas no cartridge :-( Tim -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
