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
