Re: [Rdkit-discuss] Beta of Q4 2010 release up
Hi James, On Wed, Jan 5, 2011 at 11:43 AM, James Davidson j.david...@vernalis.com wrote: Hi Greg, Greg wrote: If there's demand for it, I will also put up a windows binary. As usual: if no show-stopper bugs appear, I will do the release itself in about a week. I would appreciate a Windows binary to check out the beta release - but if it is just me, I can obviously wait for the full release (presuming a windows binary would be available at that point?) No problem, I will put up a windows binary for python2.6 tonight. -greg -- Learn how Oracle Real Application Clusters (RAC) One Node allows customers to consolidate database storage, standardize their database environment, and, should the need arise, upgrade to a full multi-node Oracle RAC database without downtime or disruption http://p.sf.net/sfu/oracle-sfdevnl ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] Beta of Q4 2010 release up
Hi Greg, Greg wrote: If there's demand for it, I will also put up a windows binary. As usual: if no show-stopper bugs appear, I will do the release itself in about a week. I would appreciate a Windows binary to check out the beta release - but if it is just me, I can obviously wait for the full release (presuming a windows binary would be available at that point?) Kind regards James __ PLEASE READ: This email is confidential and may be privileged. It is intended for the named addressee(s) only and access to it by anyone else is unauthorised. If you are not an addressee, any disclosure or copying of the contents of this email or any action taken (or not taken) in reliance on it is unauthorised and may be unlawful. If you have received this email in error, please notify the sender or postmas...@vernalis.com. Email is not a secure method of communication and the Company cannot accept responsibility for the accuracy or completeness of this message or any attachment(s). Please check this email for virus infection for which the Company accepts no responsibility. If verification of this email is sought then please request a hard copy. Unless otherwise stated, any views or opinions presented are solely those of the author and do not represent those of the Company. The Vernalis Group of Companies Oakdene Court 613 Reading Road Winnersh, Berkshire RG41 5UA. Tel: +44 118 977 3133 To access trading company registration and address details, please go to the Vernalis website at www.vernalis.com and click on the Company address and registration details link at the bottom of the page.. __ -- Learn how Oracle Real Application Clusters (RAC) One Node allows customers to consolidate database storage, standardize their database environment, and, should the need arise, upgrade to a full multi-node Oracle RAC database without downtime or disruption http://p.sf.net/sfu/oracle-sfdevnl ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] RDKit on CentOs 5
Dear All, Has anyone successfully compiled RDKit on CentOs 5? I'm running into the following error message: [ 15%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o /root/RDKit_2010_09_1/Code/Numerics/Alignment/Wrap/rdAlignment.cpp:14:31: error: numpy/arrayobject.h: No such file or directory On CentOs 5 arrayobject.h is part of python-numeric package and it's located in: /usr/include/python2.4/Numeric/arrayobject.h I'm attempting to compile RDKit_2010_09_1, using boost version 1.39.0, x86_64 system. Regards, Igor -- Learn how Oracle Real Application Clusters (RAC) One Node allows customers to consolidate database storage, standardize their database environment, and, should the need arise, upgrade to a full multi-node Oracle RAC database without downtime or disruption http://p.sf.net/sfu/oracle-sfdevnl ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] RDKit on CentOs 5
Hi Igor, On Wed, Jan 5, 2011 at 9:15 PM, Igor Filippov [Contr] ig...@helix.nih.gov wrote: Dear All, Has anyone successfully compiled RDKit on CentOs 5? I'm running into the following error message: [ 15%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o /root/RDKit_2010_09_1/Code/Numerics/Alignment/Wrap/rdAlignment.cpp:14:31: error: numpy/arrayobject.h: No such file or directory On CentOs 5 arrayobject.h is part of python-numeric package and it's located in: /usr/include/python2.4/Numeric/arrayobject.h The default version of python that comes with centos and RHEL systems is python2.4. This is really too old for effective use of the RDKit python bindings. It's really best if you install python 2.6 or 2.7. If you don't want to use the python bindings, you can tell cmake not to build them and the above problem will go away. Best, -greg -- Learn how Oracle Real Application Clusters (RAC) One Node allows customers to consolidate database storage, standardize their database environment, and, should the need arise, upgrade to a full multi-node Oracle RAC database without downtime or disruption http://p.sf.net/sfu/oracle-sfdevnl ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] Beta of Q4 2010 release up
On Wed, Jan 5, 2011 at 11:49 AM, Greg Landrum greg.land...@gmail.com wrote: Hi James, On Wed, Jan 5, 2011 at 11:43 AM, James Davidson j.david...@vernalis.com wrote: Hi Greg, Greg wrote: If there's demand for it, I will also put up a windows binary. As usual: if no show-stopper bugs appear, I will do the release itself in about a week. I would appreciate a Windows binary to check out the beta release - but if it is just me, I can obviously wait for the full release (presuming a windows binary would be available at that point?) No problem, I will put up a windows binary for python2.6 tonight. Ok, getting the python2.6 builds working on my new machine took longer than I thought it would. I just uploaded a python2.6 build to the google code site: http://rdkit.googlecode.com/files/RDKit_2010_12_1beta2.win32.zip Note: this corresponds to the current svn state of the code, so it includes a couple changes relative to the source archive that's up. -greg -- Learn how Oracle Real Application Clusters (RAC) One Node allows customers to consolidate database storage, standardize their database environment, and, should the need arise, upgrade to a full multi-node Oracle RAC database without downtime or disruption http://p.sf.net/sfu/oracle-sfdevnl ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
