(Please cc to list) One of the following should work:
(1) Try OB 2.3.2 (2) Download Eigen2 yourself rather than use the one provided by Ubuntu. (3) Download Eigen3 (-DEIGEN3_INCLUDE_DIR=) - Noel On 9 November 2012 22:19, Casper Steinmann <[email protected]> wrote: > Hi, > > so babel -L charges does not list the alternative charges. I suspect this is > where I need to fix things first. > > however, in my 2.3.1 build dir, I write: > > cmake -DPYTHON_BINDINGS=ON .. > > and from the output that cmake makes it does say: > > -- Found Eigen2: /usr/include/eigen2 (Required is at least version "2.0.0") > > The last part of that message seems a bit disturbing, perhaps this is where > the problem is. I am on ubuntu 12.04. > > Thanks for helping out, > > Casper > > > > On Fri, Nov 9, 2012 at 6:29 PM, Noel O'Boyle <[email protected]> wrote: >> >> On 8 November 2012 22:40, Casper Steinmann <[email protected]> >> wrote: >> > Hi, >> > >> > The Open Babel API states that the QEq and QTPIE charge models are >> > supported >> > if Eigen is present. >> > >> > When compiling 2.3.1 with -DPYTHON_BINDINGS=ON and the cmake step tells >> > me >> > it has found Eigen2. >> > >> > if I request either of the above as my charges model using the python >> > (2.7) >> > bindings I get None in return. >> >> How do you do the request? >> >> Does obabel -L charges list qeq and qtpie? (It does for me) >> >> > If I use either mmff94 or gasteiger it works. >> > Is this a known issue? or do I have to specify additional flags during >> > the >> > cmake configuration (even though the manual says otherwise)? >> > >> > cheers, >> > >> > Casper >> > >> > >> > ------------------------------------------------------------------------------ >> > Everyone hates slow websites. So do we. >> > Make your web apps faster with AppDynamics >> > Download AppDynamics Lite for free today: >> > http://p.sf.net/sfu/appdyn_d2d_nov >> > _______________________________________________ >> > OpenBabel-discuss mailing list >> > [email protected] >> > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> > > > ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_nov _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
