On 12/07/2010 09:53, Noel O'Boyle wrote: > On 9 July 2010 19:44, 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. > > Just be careful with licensing here Chris.
This code is adapted from a post to a DigitalMars mailing list. At http://www.digitalmars.com/download/dmcpp.html it states that: "If you send any messages to Digital Mars, on either the Digital Mars newsgroups, the Digital Mars mailing list, or via email, you agree not to make any claims of intellectual property rights over the contents of those messages unless those messages contain specific notice otherwise, such as a copyright notice." I was relying on this to be sufficient, although it is not as clear-cut as it might have been. I suspect its use is temporary until the MSVC library catches up or until there is a compelling need to use Boost for something else. My view is to continue, but if this is considered unacceptable there are other implementations with explicit fairly relaxed licences that could be adapted with a little effort. 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
