Hi Noel
I'm using the development code (because of previous issues with SMILES
and extra hydrogens being added to my alkali metal atom InChIs).
The Linux install was done on 7 December. I'd tell you the exact
revision, but unfortunately I trashed it this morning!
The Mac code was checked out yesterday (and again today) - revision
4365.
I tried not specifying the Eigen include directory (because it should
have been picked up from /usr/local/include/eigen2) and then
explicitly specifying it with:
-DEIGEN2_INCLUDE_DIR=/usr/local/include/eigen2
or
-DEIGEN2_INCLUDE_DIR=/usr/local/include/eigen2/Eigen
but the first part of the compilation fails if I use the latter form.
At the make install stage the make appears to need -I/usr/local/
include/eigen2/Eigen (i.e. one directory deeper than the initial
compile stage) for it to work correctly.
Cheers,
Ken
On 25 Jan 2011, at 14:03, Noel O'Boyle wrote:
On 25 January 2011 13:31, Ken Smith <k.w.sm...@qub.ac.uk> wrote:
Hi Noel
I didn't have this problem on 7 December on my Linux system.
However, I did
the necessary installations (SWIG 2 and PCRE to install SWIG) and it
installed OK with the following caveats:
* Everything compiled OK, but at the installation stage I had to
setup a
symbolic link in one of the specified include directories to my Eigen
Include directory (which was installed in /usr/local/include/
eigen2, but not
picked up) to get the _openbabel extension to compile.
The location of the Eigen include was not being passed to the Python
compile. This has already been fixed in the development version...so I
think you are using the release, right? In which case, you shouldn't
have needed to run SWIG in the first place....hmmm....
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