Re: [Rdkit-discuss] windows binary install
I've gone to this archived message and installed the library mentioned. It just installed itself rather than asking me where I wanted to put it. However, rdkit seems to be recognising it as I now get a new error (pasted below) . Do I have to go to an older rdkit which likes numpy version 4? Python 2.7.1 |EPD 7.0-2 (32-bit)| (r271:86832, Dec 2 2010, 10:35:02) [MSC v.1500 32 bit (Intel)] on win32 Type copyright, credits or license() for more information. import rdkit from rdkit import Chem RuntimeError: module compiled against API version 6 but this version of numpy is 4 RuntimeError: module compiled against API version 6 but this version of numpy is 4 From: James Davidson j.david...@vernalis.com To: stanley5...@yahoo.co.uk Cc: rdkit-discuss@lists.sourceforge.net Sent: Saturday, 11 August 2012, 7:58 Subject: Re: [Rdkit-discuss] windows binary install Hi Alan, My guess is that your problem is missing DLLs, available in the MS C++ Redistributable package – solution described by George for a very similar problem: http://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg02381.html. I now tend to explicitly just put a copy of these two DLLs into the RDKit lib folder when installing for others, and I can reproduce your error if I remove one of these DLLs from there on my system. Cheers 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 100 Berkshire Place Wharfedale Road Winnersh, Berkshire RG41 5RD, England Tel: +44 (0)118 938 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.. __-- Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] windows binary install
Hi Alan, You're almost there but it seems now that you need to upgrade your numpy from 1.4 to 1.6. Regards, George P. Sent from my gPhone On 11 Aug 2012, at 21:38, stanley5101 stanley5...@yahoo.co.uk wrote: I've gone to this archived message and installed the library mentioned. It just installed itself rather than asking me where I wanted to put it. However, rdkit seems to be recognising it as I now get a new error (pasted below) . Do I have to go to an older rdkit which likes numpy version 4? Python 2.7.1 |EPD 7.0-2 (32-bit)| (r271:86832, Dec 2 2010, 10:35:02) [MSC v.1500 32 bit (Intel)] on win32 Type copyright, credits or license() for more information. import rdkit from rdkit import Chem RuntimeError: module compiled against API version 6 but this version of numpy is 4 RuntimeError: module compiled against API version 6 but this version of numpy is 4 From: James Davidson j.david...@vernalis.com To: stanley5...@yahoo.co.uk Cc: rdkit-discuss@lists.sourceforge.net Sent: Saturday, 11 August 2012, 7:58 Subject: Re: [Rdkit-discuss] windows binary install Hi Alan, My guess is that your problem is missing DLLs, available in the MS C++ Redistributable package – solution described by George for a very similar problem: http://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg02381.html. I now tend to explicitly just put a copy of these two DLLs into the RDKit lib folder when installing for others, and I can reproduce your error if I remove one of these DLLs from there on my system. Cheers 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 100 Berkshire Place Wharfedale Road Winnersh, Berkshire RG41 5RD, England Tel: +44 (0)118 938 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.. __ -- Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] windows binary install
Hi Jan, thanks for your suggestion. The binary I downloaded was called RDKit_2012_03_1.win32.py27.zip so I thought it was the right one for the python installation. Alan From: Jan Holst Jensen j...@biochemfusion.com To: stanley5101 stanley5...@yahoo.co.uk Cc: rdkit-discuss@lists.sourceforge.net rdkit-discuss@lists.sourceforge.net Sent: Thursday, 9 August 2012, 16:13 Subject: Re: [Rdkit-discuss] windows binary install On 2012-08-09 00:13, stanley5101 wrote: Hi, I'm trying to install the Windows binary of RDKit but having a problem. After from rdkit import Chem I get Traceback (most recent call last): File pyshell#1, line 1, in module from rdkit import Chem File C:\RDKit_2012_03_1\rdkit\Chem\__init__.py, line 18, in module from rdkit import rdBase ImportError: DLL load failed: %1 is not a valid Win32 application. I am using the Enthought Python distribution (EPD 7.0-2 32 bit python 2.7.1) on Windows 7 64 bit. I have the following environment variables: PYTHONPATH %RDBASE% RDBASE C:/RDKit_2012_03_1 Path ;%RDBASE%/lib; (amongst other things) I'd be grateful for any suggestions as to what is going wrong and a fix. Is the 64 bit OS an issue? thanks, Alan Hi Alan, It sounds like you are trying to load a 64-bit RDKit library in a 32-bit Python environment. Is that the case ? The RDKit bitness must be the same as the Python version you are using, which is 32-bit (EPD 7.0-2 32 bit python 2.7.1). Kind regards -- Jan Holst Jensen-- Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] windows binary install
On 2012-08-09 00:13, stanley5101 wrote: Hi, I'm trying to install the Windows binary of RDKit but having a problem. After from rdkit import Chem I get Traceback (most recent call last): File pyshell#1, line 1, in module from rdkit import Chem File C:\RDKit_2012_03_1\rdkit\Chem\__init__.py, line 18, in module from rdkit import rdBase ImportError: DLL load failed: %1 is not a valid Win32 application. I am using the Enthought Python distribution (EPD 7.0-2 32 bit python 2.7.1) on Windows 7 64 bit. I have the following environment variables: PYTHONPATH %RDBASE% RDBASE C:/RDKit_2012_03_1 Path ;%RDBASE%/lib; (amongst other things) I'd be grateful for any suggestions as to what is going wrong and a fix. Is the 64 bit OS an issue? thanks, Alan Hi Alan, It sounds like you are trying to load a 64-bit RDKit library in a 32-bit Python environment. Is that the case ? The RDKit bitness must be the same as the Python version you are using, which is 32-bit (EPD 7.0-2 *32 bit python* 2.7.1). Kind regards -- Jan Holst Jensen -- Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] windows binary install
Hi, I'm trying to install the Windows binary of RDKit but having a problem. After from rdkit import Chem I get Traceback (most recent call last): File pyshell#1, line 1, in module from rdkit import Chem File C:\RDKit_2012_03_1\rdkit\Chem\__init__.py, line 18, in module from rdkit import rdBase ImportError: DLL load failed: %1 is not a valid Win32 application. I am using the Enthought Python distribution (EPD 7.0-2 32 bit python 2.7.1) on Windows 7 64 bit. I have the following environment variables: PYTHONPATH %RDBASE% RDBASE C:/RDKit_2012_03_1 Path ;%RDBASE%/lib; (amongst other things) I'd be grateful for any suggestions as to what is going wrong and a fix. Is the 64 bit OS an issue? thanks, Alan-- Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
