[OpenBabel-Devel] [PATCH] fix external inchi support and language bindings building

2010-12-02 Thread Dominik 'Rathann' Mierzejewski
Dear developers, here are the patches I mentioned in bugs 3059516 and 3059512 but was unable to attach. Regards, Dominik -- Fedora http://fedoraproject.org/wiki/User:Rathann RPMFusion http://rpmfusion.org | MPlayer http://mplayerhq.hu "Faith manages." -- Delenn to Lennier in Babylon 5:"C

Re: [OpenBabel-Devel] make install or make vendor_install for Perl bindings?

2011-01-10 Thread Dominik 'Rathann' Mierzejewski
On Saturday, 08 January 2011 at 15:55, Noel O'Boyle wrote: > I've applied John's patch for DESTDIR support for Perl. > > However, a separate issue is that the recent Fedora patch for the > bindings changed "make install" to "make vendor_install". Which should > it be (bearing in mind that 99% of t

Re: [OpenBabel-Devel] Target Date for 2.3.1 Release - Friday Oct 14th

2011-10-12 Thread Dominik 'Rathann' Mierzejewski
Hi list, On Wednesday, 05 October 2011 at 17:38, Geoffrey Hutchison wrote: > There's one or two crashing bugs which I'd like to fix in the next week, > but I think it's long overdue to get v2.3.1 out. > > So my suggestion is to target next Friday, Oct. 14th for a release, and > "freeze" the code

[OpenBabel-Devel] [PATCH] Fix build with swig-3.0.x

2015-02-11 Thread Dominik 'Rathann' Mierzejewski
Dear OpenBabel developers, the attached patch fixes building current git master (commit 75414ad4e043f16ba72ae51c7ca60f448576688d) with swig-3.0.x: cd /builddir/build/BUILD/openbabel-75414ad4e043f16ba72ae51c7ca60f448576688d/scripts && /bin/swig -perl5 -c++ -small -O -templatereduce -naturalvar -I/

[OpenBabel-Devel] [PATCH] Fix build with gcc-5.x

2015-02-11 Thread Dominik 'Rathann' Mierzejewski
Dear OpenBabel developers, the attached patch fixes building current git master (commit 75414ad4e043f16ba72ae51c7ca60f448576688d) with gcc-5.0: Building CXX object src/CMakeFiles/openbabel.dir/alias.o cd /builddir/build/BUILD/openbabel-75414ad4e043f16ba72ae51c7ca60f448576688d/src && /usr/lib64/cca

Re: [OpenBabel-Devel] [PATCH] Fix build with gcc-5.x

2015-02-12 Thread Dominik 'Rathann' Mierzejewski
Hi, Maciek. On Wednesday, 11 February 2015 at 16:42, Maciek Wójcikowski wrote: > Hi Dominik, > > You could create Pull requests on Github for both patches - this will be > better way to contribute to OB. > https://github.com/openbabel/openbabel I'd have to create my own fork on github and add th

Re: [OpenBabel-Devel] Google Summer of Code

2015-02-12 Thread Dominik 'Rathann' Mierzejewski
On Thursday, 12 February 2015 at 14:47, Reinis Danne wrote: > On Thu, Feb 12, 2015 at 08:39:10AM -0500, David Hall wrote: > > > On Feb 1, 2015, at 12:43 PM, Geoffrey Hutchison > > > wrote: > > > > > > Now, you mention having a more frequent release schedule. That'd be > > > great, but I'd really

Re: [OpenBabel-Devel] fedora openbabel-devel rpm package

2016-03-12 Thread Dominik 'Rathann' Mierzejewski
Hi, Igor. On Saturday, 12 March 2016 at 06:11, Igor Filippov wrote: > The most recent openbabel-devel rpm package for Fedora 22 > openbabel-devel-2.3.2-11 still has in shared_ptr.h [...] Thanks for your analysis. Could you please open a bug report at https://bugzilla.redhat.com ? Ideally, with a

Re: [OpenBabel-Devel] Proposal to require test cases

2018-04-16 Thread Dominik 'Rathann' Mierzejewski
On Monday, 16 April 2018 at 21:59, Geoffrey Hutchison wrote: [...] > Keep in mind many (most?) of the warnings are from the InChI code > - which isn't something we want to mess with. Fixes for warnings in InChI should be sent upstream, to inchi-disc...@lists.sourceforge.net . Regards, Dominik --

Re: [OpenBabel-Devel] Proposal to require test cases

2018-04-16 Thread Dominik 'Rathann' Mierzejewski
On Monday, 16 April 2018 at 20:20, David van der Spoel wrote: > Den 2018-04-16 kl. 17:36, skrev David Koes: > > I didn't chime in since I thought it was obviously a good idea. > > However, I strongly agree that the process of creating a test case needs > > to be as simple and documented as possible

Re: [OpenBabel-Devel] C++11 requirement for 3.0 release (and going forward)?

2019-09-11 Thread Dominik 'Rathann' Mierzejewski
On Wednesday, 11 September 2019 at 17:59, Geoffrey Hutchison wrote: > There are a few patches and pull requests asking for C++11 support in > Open Babel. > > My main question is when we "pull the plug" on older compilers. > > Pro - drop older compilers for 3.0 since we're dropping a bunch of > b

Re: [OpenBabel-Devel] Docker files...

2019-09-20 Thread Dominik 'Rathann' Mierzejewski
On Tuesday, 17 September 2019 at 17:19, Patrick Lorton wrote: > I've not been able to google a solution around redhat docker images needing > a subscription to install any packages, something which I'm not really sure > how to procure for public use in a github open source project. If anyone > mor

Re: [OpenBabel-Devel] Alignment

2010-06-30 Thread Dominik 'Rathann' Mierzejewski
Hi, On Wednesday, 30 June 2010 at 16:42, Noel O'Boyle wrote: > Hi all, > > I've written an 3D alignment class that performs Kabsch alignment of > two 3D structures (whose atoms are in the same order). It can handle > symmetry and has the option to only align certain atoms (typically > non-H atoms

[OpenBabel-Devel] beta2 build issues

2010-09-04 Thread Dominik 'Rathann' Mierzejewski
Hi. I tried building openbabel-2.3.0 beta2 package for Fedora devel branch and failed. As a result, I've just filed two bugreports related to the new build system: https://sourceforge.net/tracker/?func=detail&aid=3059512&group_id=40728&atid=428740 https://sourceforge.net/tracker/?func=detail&aid=