Re: [Rdkit-discuss] compile issues

2010-07-09 Thread tjo
Hi Greg

Thanks for the quick fix.  It worked fine, but I ran into another
problem that seems worse.  It was reported at
https://bugzilla.redhat.com/show_bug.cgi?id=444029
and the conclusion was don't use FC8 - it's too old
Unless you have some insight into how to remedy this, I'm
going to conclude one cannot run rdkit on FC8.

-TJ

Here is the relevant output from make:
[ 87%] Building CXX object
Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o
/usr/local/boost_1_43_0/include/boost/type_traits/detail/cv_traits_impl.hpp:
In instantiation of ‘const bool
boost::detail::cv_traits_imp::EditableMol*>::is_const’:
/usr/local/boost_1_43_0/include/boost/type_traits/is_const.hpp:57:  
instantiated from ‘boost::is_const::EditableMol>’
/usr/local/boost_1_43_0/include/boost/python/detail/cv_category.hpp:31:  
instantiated from
‘boost::python::detail::cv_category::EditableMol>’
/usr/local/boost_1_43_0/include/boost/python/detail/unwind_type.hpp:58:  
instantiated from ‘typename Generator::result_type
boost::python::detail::unwind_ptr_type(U*, Generator*) [with Generator =
boost::python::converter::detail::unwind_type_id_helper, U =
RDKitEditableMol]’
/usr/local/boost_1_43_0/include/boost/python/detail/unwind_type.hpp:127:  
instantiated from ‘static typename Generator::result_type
boost::python::detail::unwind_helper2<2>::execute(U& (*)(), Generator*)
[with Generator = boost::python::converter::detail::unwind_type_id_helper,
U = RDKitEditableMol]’
/usr/local/boost_1_43_0/include/boost/python/detail/unwind_type.hpp:165:  
instantiated from ‘typename Generator::result_type
boost::python::detail::unwind_type(boost::type*, Generator*) [with
Generator = boost::python::converter::detail::unwind_type_id_helper, U =
RDKitEditableMol&]’
/usr/local/boost_1_43_0/include/boost/python/converter/pytype_function.hpp:45:
  instantiated from ‘boost::python::type_info
boost::python::converter::detail::unwind_type_id_(boost::type*,
mpl_::false_*) [with T = RDKitEditableMol&]’
/usr/local/boost_1_43_0/include/boost/python/converter/pytype_function.hpp:68:
  instantiated from ‘static const PyTypeObject*
boost::python::converter::expected_pytype_for_arg::get_pytype() [with T
= RDKitEditableMol&]’
/usr/local/boost_1_43_0/include/boost/python/detail/signature.hpp:98:  
instantiated from ‘static const boost::python::detail::signature_element*
boost::python::detail::signature_arity<3u>::impl::elements() [with
Sig = boost::mpl::vector4::EditableMol&, unsigned
int, unsigned int>]’
/usr/local/boost_1_43_0/include/boost/python/detail/caller.hpp:232:  
instantiated from ‘static boost::python::detail::py_func_sig_info
boost::python::detail::caller_arity<3u>::impl::signature() [with F = void
(RDKitEditableMol::*)(unsigned int, unsigned int), Policies =
boost::python::default_call_policies, Sig = boost::mpl::vector4::EditableMol&, unsigned int, unsigned int>]’
/usr/local/boost_1_43_0/include/boost/python/object/py_function.hpp:48:  
instantiated from ‘boost::python::detail::py_func_sig_info
boost::python::objects::caller_py_function_impl::signature() const
[with Caller = boost::python::detail::caller::EditableMol::*)(unsigned int, unsigned int),
boost::python::default_call_policies, boost::mpl::vector4::EditableMol&, unsigned int, unsigned int> >]’
/home/tj/RDKit/trunk/Code/GraphMol/Wrap/EditableMol.cpp:114:  
instantiated from here
/usr/local/boost_1_43_0/include/boost/type_traits/detail/cv_traits_impl.hpp:37:
internal compiler error: in make_rtl_for_nonlocal_decl, at cp/decl.c:5067
Please submit a full bug report,
with preprocessed source if appropriate.
See http://bugzilla.redhat.com/bugzilla> for instructions.
Preprocessed source stored into /tmp/cc6vEfDG.out file, please attach this
to your bugreport.
make[2]: *** [Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o]
Error 1
make[1]: *** [Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/all] Error 2
make: *** [all] Error 2


> Hi TJ,
>
> On Fri, Jul 9, 2010 at 3:11 AM, TJ O'Donnell  wrote:
>>
>> I'm trying to build rdkit on a 64-bit redhat system.
>>
>> g++ (GCC) 4.1.2 20080704 (Red Hat 4.1.2-46)
>>
>> I built boost 1.43, the latest flex, and got up to this point
>> building rdkit
>>
>> [ 82%] Building CXX object
>> Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
>> Linking CXX shared library libSLNParse.so
>> /usr/bin/ld:
>> /usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64/libboost_regex.a(cpp_regex_traits.o):
>> relocation R_X86_64_32S against `std::basic_string> std::char_traits, std::allocator
>>  >::_Rep::_S_empty_rep_storage' can not be used when making a shared
>> object; recompile with -fPIC
>> /usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64/libboost_regex.a:
>> could not read symbols: Bad value
>> collect2: ld returned 1 exit status
>> make[2]: *** [Code/GraphMol/SLNParse/libSLNParse.so] Error 1
>> make[1]: *** [Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/all] Error
>> 2
>> make: *** [all] Error 2
>>
>> Can you help?
>
> lo

Re: [Rdkit-discuss] compile issues

2010-07-09 Thread Greg Landrum
On Fri, Jul 9, 2010 at 9:15 PM,   wrote:
> Hi Greg
>
> Thanks for the quick fix.  It worked fine, but I ran into another
> problem that seems worse.  It was reported at
> https://bugzilla.redhat.com/show_bug.cgi?id=444029
> and the conclusion was don't use FC8 - it's too old
> Unless you have some insight into how to remedy this, I'm
> going to conclude one cannot run rdkit on FC8.

Well, I think we can all agree that FC8 is ancient, and probably
should be put out of our misery, but that doesn't mean that you can't
build the RDKit on it:
http://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg00386.html

A less drastic solution than the one proposed there is to add
#define BOOST_PYTHON_NO_PY_SIGNATURES
at the top of Code/GraphMol/Wrap/EditableMol.cpp

That ought to clear up the problem.
-greg

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Re: [Rdkit-discuss] compile issues

2010-07-08 Thread Greg Landrum
Hi TJ,

On Fri, Jul 9, 2010 at 3:11 AM, TJ O'Donnell  wrote:
>
> I'm trying to build rdkit on a 64-bit redhat system.
>
> g++ (GCC) 4.1.2 20080704 (Red Hat 4.1.2-46)
>
> I built boost 1.43, the latest flex, and got up to this point
> building rdkit
>
> [ 82%] Building CXX object
> Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
> Linking CXX shared library libSLNParse.so
> /usr/bin/ld:
> /usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64/libboost_regex.a(cpp_regex_traits.o):
> relocation R_X86_64_32S against `std::basic_string std::char_traits, std::allocator
>  >::_Rep::_S_empty_rep_storage' can not be used when making a shared
> object; recompile with -fPIC
> /usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64/libboost_regex.a:
> could not read symbols: Bad value
> collect2: ld returned 1 exit status
> make[2]: *** [Code/GraphMol/SLNParse/libSLNParse.so] Error 1
> make[1]: *** [Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/all] Error 2
> make: *** [all] Error 2
>
> Can you help?

looks like you aren't linking against the boost that you built;
instead the system boost is being used.
you could verify this empirically with:
% VERBOSE=1 make SLNParse

You can try to fix the problem by running:
% ccmake .
(note the extra c) in your build directory, typing "t" to toggle
advanced mode, and manually editing the value for
Boost_REGEX_LIBRARY_RELEASE

In the meantime, since this is a problem that repeatedly occurs, I'm
going to modify the CMake files to stop using the statically linked
version of libregex.. This will be in svn in the next hour.

-greg

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