Re: [Rdkit-discuss] RDKit patch releases in conda?
Hi Riccardo, > are you working on Windows? Pre-built conda packages targeting the 2016.03 > patch releases are at this time only available for linux and osx. Yes, I'm afraid so... > an additional patch release was tagged before the UGM, and I think it wasn't > yet pushed to the anaconda channel. if there's interest for making this > revision available, > I can try to include some windows packages (for the amd64 platform at > least), otherwise it might make sense to wait for the upcoming release? I would definitely be interested in this (py2 and py3) for win64, but if it is anything more than a small amount of work, then please don't do it just for me! 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 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.. __ -- Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today. http://sdm.link/xeonphi ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] RDKit patch releases in conda?
Hi Greg (and Riccardo), > Riccardo had pushed binaries for Linux and I have done most of the mac > versions, but doing windows builds, which I suspect is what you want, is > enough of a barrier that we haven't done those. > There is an ongoing discussion about resolving this problem, but it is > non-trivial. It sounds like there is a chance that Riccardo will look at a win64 2016_03 patch build for conda (which would be geat!) > P.S. Obligatory plug: this is a matter of focusing resources on an > less-than-pleasant task; exactly the kind of thing that RDKit > maintenance/support customers can reasonably request. That sounds fair... Kind regards James _ From: James Davidson Sent: Wednesday, November 2, 2016 2:32 PM Subject: [Rdkit-discuss] RDKit patch releases in conda? To: Dear All, I think I probably know the answer to this already, but wanted to double check – did any of the four 2016_03 patch releases ever get pushed to conda? I only seem to get 2016_03_1 with “conda update –c https://conda.anaconda.org/rdkit rdkit” (if not available then I guess this is academic with 2016_09_1 around the corner?) 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 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.. __ __ 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.. __ -- Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today. http://sdm.link/xeonphi ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] RDKit patch releases in conda?
Riccardo had pushed binaries for Linux and I have done most of the mac versions, but doing windows builds, which I suspect is what you want, is enough of a barrier that we haven't done those. There is an ongoing discussion about resolving this problem, but it is non-trivial. -gregP.S. Obligatory plug: this is a matter of focusing resources on an less-than-pleasant task; exactly the kind of thing that RDKit maintenance/support customers can reasonably request. _ From: James Davidson Sent: Wednesday, November 2, 2016 2:32 PM Subject: [Rdkit-discuss] RDKit patch releases in conda? To: Dear All, I think I probably know the answer to this already, but wanted to double check – did any of the four 2016_03 patch releases ever get pushed to conda? I only seem to get 2016_03_1 with “conda update –c https://conda.anaconda.org/rdkit rdkit” (if not available then I guess this is academic with 2016_09_1 around the corner?) 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 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.. __ -- Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today. http://sdm.link/xeonphi___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] RDKit patch releases in conda?
Hi James, On Wed, Nov 2, 2016 at 3:11 PM, James Davidson wrote: > I think I probably know the answer to this already, but wanted to double > check – did any of the four 2016_03 patch releases ever get pushed to conda? > > I only seem to get 2016_03_1 with “conda update –c > https://conda.anaconda.org/rdkit rdkit” > are you working on Windows? Pre-built conda packages targeting the 2016.03 patch releases are at this time only available for linux and osx. > (if not available then I guess this is academic with 2016_09_1 around the > corner?) > an additional patch release was tagged before the UGM, and I think it wasn't yet pushed to the anaconda channel. if there's interest for making this revision available, I can try to include some windows packages (for the amd64 platform at least), otherwise it might make sense to wait for the upcoming release? Best regards, Riccardo -- Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today. http://sdm.link/xeonphi___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] RDKit patch releases in conda?
Dear All, I think I probably know the answer to this already, but wanted to double check - did any of the four 2016_03 patch releases ever get pushed to conda? I only seem to get 2016_03_1 with "conda update -c https://conda.anaconda.org/rdkit rdkit" (if not available then I guess this is academic with 2016_09_1 around the corner?) 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 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.. __-- Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today. http://sdm.link/xeonphi___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
