On Fri, Jul 9, 2010 at 8:44 PM, Chris Morley <[email protected]> wrote: > On 08/07/2010 10:42, Tim Vandermeersch wrote: >> On Thu, Jul 8, 2010 at 11:41 AM, Tim Vandermeersch >> <[email protected]> wrote: >>> On Tue, Jul 6, 2010 at 10:12 AM, Noel O'Boyle<[email protected]> wrote: >>>> I hope you can get this to work. I tried using boost::erf and got >>>> weird boost errors - presumably something I was doing wrong. >>> >>> I got it working here but I had to comment out everything in >>> boost/math/constants/constants.hpp since there were errors in the file >>> (are these your weird boost errors?). It still compiles since we don't >>> use any of the constants though. >> >> Btw, this is boost 1.43.0 >> >>>> On 5 July 2010 23:06, Tim Vandermeersch<[email protected]> >>>> wrote: >>>>> Hi, >>>>> >>>>> While checking if the spectrophore code builds on windows I noticed >>>>> the charge methods (qeq and qtie) require the error function erf. This >>>>> is not standard and MSVC doesn't have it but boost does. I'm changing >>>>> the build system to find boost and use it when available. Otherwise, >>>>> the charge models are disabled (similar to when Eigen2 is not found). > > Would it worthwhile to use a local, MSVC-only, implementation of erf? > This would remove the dependence on Boost (which is not used otherwise > on our supported windows compiler: VC9 express and later), avoid > having to edit its code, and simplify the CMake files. > > There seem to be several implementations that would be adequate, since > I don't think the requirement in the qeq and qtpie methods are very > stringent. I have one (apparently good to better than 1 in 10^11 for > the range I tested over) ready to upload (in a .h file), if this is > considered appropriate.
This is a good alternative. Since the boost way requires changes in boost, I'm not happy with it. > Chris > > ------------------------------------------------------------------------------ > This SF.net email is sponsored by Sprint > What will you do first with EVO, the first 4G phone? > Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first > _______________________________________________ > OpenBabel-Devel mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
