Hi Noel,
On Thu, 14 Mar 2013 21:41:31 +0000
Noel O'Boyle <baoille...@gmail.com> wrote:
> (Please cc to the list)
>
> It looks like when the bindings were generated for release, Eigen2 was
> not present. You will have to run Swig yourself to regenerate the
> bindings I'm afraid. It's pretty straightforward though. You should
> download and compile the latest version of Swig (or if you're feeling
> lucky, just use the Swig provided by your package manager). Then
> configure CMake with -DRUN_SWIG=TRUE -DSWIG_EXECUTABLE=wherever.
I had that all along.
I have just found the real issue. SWIG is not called with -DHAVE_EIGEN
-DHAVE_EIGEN3 when making the Python bindings because
scripts/CMakeLists.txt tries to expand ${eigen2_define}, which appears
to be not defined anywhere, instead of ${eigen_define} as in the Java
case.
Cheers,
Hannes.
> On 12 March 2013 13:52, Hannes Loeffler <hannes.loeff...@stfc.ac.uk>
> wrote:
> > Thanks a lot for your quick reply.
> >
> > I do have Eigen3. Cmake automatically detected it and set
> > EIGEN3_INCLUDE_DIR accordingly. I also see that math/align.o is
> > built and linked into libopenbabel.so.4.0.2. Likewise with
> > ops/opalign.o.
> >
> >
> > On Tue, 12 Mar 2013 13:25:04 +0000
> > Noel O'Boyle <baoille...@gmail.com> wrote:
> >
> >> 1. Eigen3 is required for some classes such as OBAlign. See the
> >> install docs. 2. The "make install" is installing the files to
> >> where we expect. It's not possible for us to figure out in the
> >> general case where Python would install things (I regard this as a
> >> failure on Python's side, rather than ours). Just set your
> >> PYTHONPATH and all will be well.
> >>
> >> - Noel
> >>
> >> On 12 March 2013 13:13, Hannes Loeffler
> >> <hannes.loeff...@stfc.ac.uk> wrote:
> >> > Hi,
> >> >
> >> > I compiled 2.3.2 but find that some classes, e.g. OBAlign, and
> >> > possibly other stuff is absent from openbabel.py. I passed
> >> > -DRUN_SWIG=ON to cmake and swig does create openbabel.py.
> >> >
> >> > The other odd thing is that 'make install' copies openbabel.py,
> >> > pybel.py and _openbabel.so into $CMAKE_INSTALL_PREFIX/lib
> >> > instead of the relevant Python directory.
> >> >
> >> > Cheers,
> >> > Hannes.
> >> > --
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