[ghemical-devel] libghemical build problem with mpqc enabled

[Jean Bréfort]

Le vendredi 11 novembre 2005 à 15:58 +1000, Dr. Seth Olsen a écrit :
> 
> Hi,
> 
> When I try to make libghemical-1.91 with mpqc enabled (mpqc v. 2.3.0),
> the make fails with the following error: 
> 
> eng1_qm_mpqc.cpp: In constructor 'eng1_qm_mpqc::eng1_qm_mpqc(setup*,
> i32u, i32u)':
> eng1_qm_mpqc.cpp:61: error: no matching function for call to
> 'sc::PrefixKeyVal::PrefixKeyVal(const char [5], sc::ParsedKeyVal*)'

This constructor is deprecated in 2.3.0. From the 2.2.3 version:
/// These routines are deprecated and will be removed in a future
release.
//@{
PrefixKeyVal(const char*,const Ref<KeyVal>&);
PrefixKeyVal(const char*,const Ref<KeyVal>&,int);
PrefixKeyVal(const char*,const Ref<KeyVal>&,int,int);
PrefixKeyVal(const char*,const Ref<KeyVal>&,int,int,int);
PrefixKeyVal(const char*,const Ref<KeyVal>&,int,int,int,int);
//@}

we must use:
    PrefixKeyVal(const Ref<KeyVal>&,const char*prefix);

so, changing the order of the parameters should fix it.

> /usr/local/mpqc/2.3.0/include/util/keyval/keyval.h:488: note:
> candidates are: sc::PrefixKeyVal::PrefixKeyVal(const
> sc::Ref<sc::KeyVal>&, const char*, int, int, int, int)
> /usr/local/mpqc/2.3.0/include/util/keyval/keyval.h:487: note:
> sc::PrefixKeyVal::PrefixKeyVal(const sc::Ref<sc::KeyVal>&, const
> char*, int, int, int)
> /usr/local/mpqc/2.3.0/include/util/keyval/keyval.h:486: note:
> sc::PrefixKeyVal::PrefixKeyVal(const sc::Ref<sc::KeyVal>&, const
> char*, int, int)
> /usr/local/mpqc/2.3.0/include/util/keyval/keyval.h:485: note:
> sc::PrefixKeyVal::PrefixKeyVal(const sc::Ref<sc::KeyVal>&, const
> char*, int)
> /usr/local/mpqc/2.3.0/include/util/keyval/keyval.h:484: note:
> sc::PrefixKeyVal::PrefixKeyVal(const sc::Ref<sc::KeyVal>&, const
> char*)
> /usr/local/mpqc/2.3.0/include/util/keyval/keyval.h:483: note:
> sc::PrefixKeyVal::PrefixKeyVal(const sc::Ref<sc::KeyVal>&, int, int,
> int, int)
> /usr/local/mpqc/2.3.0/include/util/keyval/keyval.h:482: note:
> sc::PrefixKeyVal::PrefixKeyVal(const sc::Ref<sc::KeyVal>&, int, int,
> int)
> /usr/local/mpqc/2.3.0/include/util/keyval/keyval.h:481: note:
> sc::PrefixKeyVal::PrefixKeyVal(const sc::Ref<sc::KeyVal>&, int, int)
> /usr/local/mpqc/2.3.0/include/util/keyval/keyval.h:480: note:
> sc::PrefixKeyVal::PrefixKeyVal(const sc::Ref<sc::KeyVal>&, int)
> /usr/local/mpqc/2.3.0/include/util/keyval/keyval.h:471: note:
> sc::PrefixKeyVal::PrefixKeyVal(const sc::PrefixKeyVal&)
> 
> I don't understand what this is trying to tell me, or how to fix it.
> I've tried compiling both mpqc and libghemical with gcc-4.0.1,
> gcc-2.95.3 and the intel icc compiler, but to no avail.  I can get
> mpqc to build without problems, but when I build libghemical against
> it I always run into this error.
> 
> I am quite eager to try out libghemical and ghemical and to test it's
> capabilities with an eye towards developing it further to aid my
> research.  If anyone knows how I can get around this problem, my day
> would definitely be made.
> 
> Cheers,
> 
> Seth
> 
> 
> 
> -- 
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> 
> Dr Seth Olsen, PhD
> Postdoctoral Fellow, Biomolecular Modeling Group
> Centre for Computational Molecular Science
> Chemistry Building, 
> The University of Queensland
> Qld 4072, Brisbane, Australia
> 
> tel (617) 33653732
> fax (617) 33654623
> email: s.olsen1 at uq.edu.au
> Web: www.ccms.uq.edu.au 
> 
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