Hi!
In openbabel-python.i files align.h and conformersearch.h are included
conditionally depending on HAVE_EIGEN2. Is it something Eigen2 specific
or also Eigen3 should work?
The issue is that CMakeLists.txt searches for Eigen2 _or_ Eigen3
package, so swig doesn't get HAVE_EIGEN2 set if Eigen3 or both are
installed. If it is not dependent of the version then it probably should
be replaced with HAVE_EIGEN condition.
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
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