[ghemical-devel] libghemical build problem with mpqc enabled

[Dr. Seth Olsen]

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*)'
/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 <http://www.ccms.uq.edu.au>

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