I'm looking into it. As you say, it seems that some references to HAVE_EIGEN2 have not been updated. The bindings need some extra code to handle this.
- Noel On 25 September 2012 11:13, Reinis Danne <rei4...@gmail.com> wrote: > On Tue, Sep 25, 2012 at 09:24:48AM +0100, Noel O'Boyle wrote: >> The release is coming up soon, and as far as I understand, we >> are not necessarily supporting Eigen3 instead of Eigen2. >> Geoff? > > Main CMakeLists.txt says otherwise, it prefers Eigen3 over > Eigen2, but bindings doesn't even consider Eigen3. They are not > in sync and that is the issue. > >> >> Regarding the error message, what is the context? Is this >> compiling the current trunk svn, with Eigen3 installed but not >> Eigen2. Best to include the complete output of cmake or it's >> difficult for us to figure it out. > > I thought I gave enough of the context here: > >> > I'm getting this error when trying to use Eigen3: >> > >> > python3: /usr/include/eigen3/Eigen/src/SVD/JacobiSVD.h:591: >> > const MatrixUType& Eigen::JacobiSVD<MatrixType, >> > QRPreconditioner>::matrixU() const [with _MatrixType = >> > Eigen::Matrix<double, 3, 3>; int QRPreconditioner = 2; >> > Eigen::JacobiSVD<MatrixType, QRPreconditioner>::MatrixUType >> > = Eigen::Matrix<double, 3, 3>; typename _MatrixType::Scalar >> > = double]: Assertion `computeU() && "This JacobiSVD >> > decomposition didn't compute U. Did you ask for it?"' >> > failed. Aborted > > So to make it clear, the error occurs when using Eigen3 trough > Python bindings. It compiles fine, problem is at runtime when > aligning two molecules in a Python script. It works with Eigen2, > but aborts with this error with Eigen3, so the issue might be in > src/math/align.cpp where there is conditional code depending on > Eigen version, but I don't understand what exactly has to be > done to fix the assertion. > > > Reinis > > ------------------------------------------------------------------------------ > Live Security Virtual Conference > Exclusive live event will cover all the ways today's security and > threat landscape has changed and how IT managers can respond. Discussions > will include endpoint security, mobile security and the latest in malware > threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://ad.doubleclick.net/clk;258768047;13503038;j? http://info.appdynamics.com/FreeJavaPerformanceDownload.html _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
