Re: [OpenBabel-Devel] Minimum version of MSVC for Open Babel master?

On Sat, Feb 6, 2016 at 3:17 PM, Noel O'Boyle wrote: > The msvc build requires an additional repo. See github msvc-dependencies > or so, part of openbabel. I think it should still build with 2010. > That seems to mainly consist of prebuilt binaries that I guess you use to

[OpenBabel-Devel] Minimum version of MSVC for Open Babel master?

Hi, I am working on new Avogadro 1/2 builds for Windows, and was using Visual Studio 2010 (and am still trying to at this point). Is Visual Studio 2010 supposed to work? If not can we add an error for older versions of Visual Studio, if so the main issue seems to be a missing inttypes.h header

Re: [OpenBabel-Devel] Minimum version of MSVC for Open Babel master?

On Sat, Feb 6, 2016 at 12:02 PM, Marcus D. Hanwell < marcus.hanw...@kitware.com> wrote: > Hi, > > I am working on new Avogadro 1/2 builds for Windows, and was using Visual > Studio 2010 (and am still trying to at this point). Is Visual Studio 2010 > supposed to work?

Re: [OpenBabel-Devel] Windows 3rd party libs/dlls

In truth I was doing that so I could build updated versions/try newer versions of MSVC. Please move it, remove it, whatever makes sense as you update the build system. Marcus On Mon, May 4, 2015 at 6:55 AM, Noel O'Boyle baoille...@gmail.com wrote: Looks to be working fine. I've signed up for

Re: [OpenBabel-Devel] Proposal for a modern C++ codebase

On Mon, Apr 27, 2015 at 11:12 AM, Igor Filippov [Contr] igor.filip...@nih.gov wrote: On 4/27/2015 11:05 AM, Nana Sakisaka wrote: Also, If you're using modern C++, it always comes with Boost library. Oh, my! Did I miss the memo? When was this announced? Careful with strong statements like

Re: [OpenBabel-Devel] [Avogadro-devel] Tenure Thanks

have some big changes of my own taken carer of... Sincerely, Marcus -- Marcus D. Hanwell, Ph.D. Technical Leader, Kitware Inc. (518) 881-4937 On Wed, Oct 30, 2013 at 4:10 PM, Geoffrey Hutchison geo...@pitt.edu wrote: Dear everyone, My department voted recently to recommend me for tenure here

Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h

the commit back to our last snapshot works fine. I can submit a pull request (or simply merge it if no one objects), is there a dashboard I should be watching or is nothing currently set up for Open Babel automatic builds anymore? Marcus On Fri, Jul 26, 2013 at 5:03 PM, Marcus D. Hanwell

Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h

. Marcus On Thu, Jul 25, 2013 at 9:05 AM, Marcus D. Hanwell marcus.hanw...@kitware.com wrote: I was looking at this, and my only remaining concern is that the cairo and rpc directories could be included before that headers of the library you are going to link against - if they ever change the API

Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h

are specified using CMake (or automatically found if unspecified) so no-one is tied to using our prebuilt ones. - Noel On 24 July 2013 17:33, Marcus D. Hanwell marcus.hanw...@kitware.com wrote: I don't know how generic the other headers are, or if they are tied to particular DLLs. I don't want

[OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h

Hi, We build Open Babel on Windows without prebuilt binaries, and have tracked down an issue with the C99 headers and MSVC. The headers in windows-vc2008/include/ don't seem to be Visual Studio 2008 specific, if there are no objections could I move inttypes.h and stdint.h to msvc-support or

Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h

O'Boyle baoille...@gmail.com wrote: Would renaming windows-vc2008 to msvc solve the problem? - Noel On 24 July 2013 15:57, Marcus D. Hanwell marcus.hanw...@kitware.com wrote: Hi, We build Open Babel on Windows without prebuilt binaries, and have tracked down an issue with the C99 headers

Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match

On Thu, Apr 11, 2013 at 3:26 PM, Marcus D. Hanwell marcus.hanw...@kitware.com wrote: On Tue, Apr 9, 2013 at 7:06 AM, Noel O'Boyle baoille...@gmail.com wrote: On 9 April 2013 00:20, David van der Spoel sp...@xray.bmc.uu.se wrote: On 2013-04-09 03:28, Marcus D. Hanwell wrote: Hi, We are using

[OpenBabel-Devel] Bug in obabel on Mac when input and output formats match

Hi, We are using obabel to perform geometry optimizations etc on the command line, and we are hitting a bug that seems to only present itself on the Mac. If the input and output formats are the same then the operation fails, for example, obabel -icml -ocml --minimize --log --ff UFF That is

Re: [OpenBabel-Devel] GitHub Migration

On Fri, Mar 1, 2013 at 4:52 PM, David Lonie david.lo...@kitware.com wrote: On Fri, Mar 1, 2013 at 2:17 AM, David van der Spoel sp...@xray.bmc.uu.se wrote: So how does one (re)gain access to git other than anonymous git clone g...@github.com:openbabel/openbabel.git I'm getting Permission

Re: [OpenBabel-Devel] obabel -h -- bug while adding hydrogens?

On Thu, Feb 14, 2013 at 5:38 PM, Chris Morley c.mor...@gaseq.co.uk wrote: On 14/02/2013 16:48, David Lonie wrote: There seems to a bug when adding hydrogens to a molecule with only a single atom: $ cat /tmp/t.cml ?xml version=1.0? molecule xmlns=http://www.xml-cml.org/schema; atomArray

Re: [OpenBabel-Devel] Perceive bonds with obabel

On Tue, Feb 12, 2013 at 12:06 PM, David Lonie david.lo...@kitware.com wrote: On Tue, Feb 12, 2013 at 12:00 PM, Noel O'Boyle baoille...@gmail.com wrote: Try the xyz format. That was our next guess, just wanted to make sure that I wasn't overlooking anything more straightforward. That is a

Re: [OpenBabel-Devel] InChI library and Windows

On Mon, Sep 3, 2012 at 11:44 AM, Marcus D. Hanwell marcus.hanw...@kitware.com wrote: Hi, I have been working on getting Avogadro to build on Windows for the next release, and have hit an issue with InChI. It looks like it no longer exports symbols on MSVC Windows builds

Re: [OpenBabel-Devel] InChI library and Windows

On Mon, Sep 3, 2012 at 9:38 PM, Marcus D. Hanwell marcus.hanw...@kitware.com wrote: The other problem seems to be due to the InChI export macro changing the symbol it is looking for to invoke the declspec path, I have this working and can commit a simple patch to trunk (this is the immediate

Re: [OpenBabel-Devel] Failing tests for r4763 and r4766

On Wed, May 30, 2012 at 11:10 AM, Craig James cja...@emolecules.com wrote: On Wed, May 30, 2012 at 7:59 AM, Noel O'Boyle baoille...@gmail.com wrote: I've just confirmed what Craig was seeing. I have CMake 2.8.5. I always install locally but once I added the installed lib directory to the

Re: [OpenBabel-Devel] [Avogadro-devel] OBConformerSearch undefined references, missing vtable

On Thu, May 3, 2012 at 10:31 AM, Geoff Hutchison ge...@geoffhutchison.net wrote: So from Avogadro, we'll need to know whether or not to expect these features to be available. Does OpenBabel export anything that will let us know if it was built with Eigen? Or is it just time to make Eigen a

Re: [OpenBabel-Devel] Open Babel: 10 Years and Future Directions

On Wed, Dec 21, 2011 at 1:00 AM, Geoffrey Hutchison geo...@pitt.edu wrote: This e-mail has been long delayed. As 2011 draws to a close, Open Babel is over 10 years old! At this point, it's used by over 40 open source projects, downloaded over 200,000 times, and been used in over 400 academic

Re: [OpenBabel-Devel] Relocatable openbabel installation / plugin path

On Tue, Nov 15, 2011 at 5:12 PM, David Lonie lonieda...@gmail.com wrote: Hi all, I'm attempting to build a relocatable avogadro installation, and I'm having trouble with OpenBabel's plugin handling. The trouble seems to be that OpenBabel hardcodes the absolute plugin directory into

Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again

On Fri, Mar 4, 2011 at 11:11 AM, Geoffrey Hutchison ge...@geoffhutchison.net wrote: On Mar 3, 2011, at 1:56 PM, Marcus D. Hanwell wrote: I can probably take a pass at improving this, it will involve several changes to the CMake code though. Is this a good time to do that? Yes. I'll

Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again

: Are you using Python 3.2? SWIG doesn't yet support this. - Noel On 4 March 2011 16:59, Marcus D. Hanwell marcus.hanw...@kitware.com wrote: On Fri, Mar 4, 2011 at 11:35 AM, Noel O'Boyle baoille...@gmail.com wrote: On 4 March 2011 16:13, Marcus D. Hanwell marcus.hanw...@kitware.com wrote: On Fri

[OpenBabel-Devel] Building Open Babel on Windows

source tree without bundling in third party codes. For projects like Avogadro it should make it much easier for new developers to get up and running while using several external libraries. Marcus -- Marcus D. Hanwell, Ph.D. RD Engineer, Kitware Inc. (518) 881-4937

Re: [OpenBabel-Devel] Build system issues - bindings getting built again and again

On 10 February 2011 04:34, Noel O'Boyle baoille...@gmail.com wrote: On 10 February 2011 00:31, Daniel Leidert daniel.leidert.s...@gmx.net wrote: Hi, During updating the Debian package I discovered, that the Bindings are built again and again: in normal build and then in test again and during

Re: [OpenBabel-Devel] virtual function visibility

2011/1/15 Konstantin Tokarev annu...@yandex.ru: 15.01.2011, 05:17, Marcus D. Hanwell marcus.hanw...@kitware.com: On Jan 14, 2011, at 3:10 PM, Geoffrey Hutchison wrote:  On Jan 12, 2011, at 3:22 AM, Jerome Pansanel wrote:  It may be safe to remove visibility=hidden from CMakeLists.txt

Re: [OpenBabel-Devel] virtual function visibility

2011/1/15 Konstantin Tokarev annu...@yandex.ru:  I've also experienced visibility issues with OpenBabel compiled using Intel Compiler on Linux Can you be more specific? In all honesty, if the public API is not well defined and people are experiencing issues this should be an option that

Re: [OpenBabel-Devel] virtual function visibility

On Jan 14, 2011, at 3:10 PM, Geoffrey Hutchison wrote: On Jan 12, 2011, at 3:22 AM, Jerome Pansanel wrote: It may be safe to remove visibility=hidden from CMakeLists.txt ? Debian builds use by default the autotools, that are not using the visibility parameter (therefore, it works

Re: [OpenBabel-Devel] [ openbabel-Bugs-3151502 ] make install ignores DESTDIR for Python extension

On Jan 6, 2011, at 4:21 AM, Noel O'Boyle wrote: On 6 January 2011 09:12, Marcus D. Hanwell marcus.hanw...@kitware.com wrote: On Jan 5, 2011, at 11:14 AM, Bollinger, John C wrote: Hello, Per baoilleach's suggestion, I am responding to the OpenBabel dev list to request further discussion

Re: [OpenBabel-Devel] Time of nightly build

On Wednesday 26 May 2010 14:29:54 Noel O'Boyle wrote: On 26 May 2010 19:02, Geoffrey Hutchison ge...@geoffhutchison.net wrote: case. For example, neither r3751 nor r3752 were included in yesterday's build. My builds run after 6am GMT (1am EST). OK, we can set whatever threshold we want.

[OpenBabel-Devel] New OpenBabel2Config files

Hi, I wanted to let you know I pushed a few commits today. A little refactoring, and a little additional feature. By making OpenBabel2Config.cmake and friends it is possible to export targets from OpenBabel, and easily use them in other CMake projects. The current implementation aids

Re: [OpenBabel-Devel] Call for participation in automated builds (Was Re: r3624)

On Sunday 07 March 2010 13:10:36 Noel O'Boyle wrote: On 7 March 2010 18:07, Tim Vandermeersch tim.vandermeer...@gmail.com wrote: On Sun, Mar 7, 2010 at 6:46 PM, Igor Filippov igor.v.filip...@gmail.com wrote: Sure, I'd love to help out. But I do remember the last time I tried to help with