The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
After finally having current MADNESS and TiledArray-0.6.0 (hopefully) working again in Debian, I tried to build MPQC master with MPQC_NEW_FEATURES, but get the following build failure:
[ 39%] Building CXX object src/lib/chemistry/qc/basis/CMakeFiles/basis.dir/tiledbasisset.cpp.o
cd "/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/src/lib/chemistry/qc/basis" && /usr/bin/c++ -DHAVE_CONFIG_H -DMPQC_NEW_FEATURES -DMPQC_R12 -I"/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/src/lib" -I"/<<PKGBUILDDIR>>/src/lib" -I"/<<PKGBUILDDIR>>/include" -I/usr/include/mpich -I/usr/include/eigen3 -I/usr/include/libint2 -I/usr/include/openbabel-2.0 -I/usr/include/TiledArray/external -std=c++11 -g -O2 -std=c++11 -o CMakeFiles/basis.dir/tiledbasisset.cpp.o -c "/<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.cpp"
[...]
/<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.cpp:36:17: error: reference to 'TA' is ambiguous
using namespace TA;
^~
In file included from /usr/include/tiledarray.h:23:0,
from /<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.hpp:31,
from /<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.cpp:28:
/usr/include/tiledarray_fwd.h:78:26: note: candidates are: namespace TA = TiledArray;
namespace TA = TiledArray;
^
In file included from /<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/shellorder.hpp:39:0,
from /<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.hpp:39,
from /<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.cpp:28:
/<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/kcluster.hpp:37:11: note: namespace mpqc::TA { }
namespace TA{
^~
/<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.cpp:36:17: error: 'TA' is not a namespace-name
using namespace TA;
^~
/<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.cpp:36:19: error: expected namespace-name before ';' token
using namespace TA;
^
/<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.cpp:38:47: error: 'TiledBasisSet' was not declared in this scope
static sc::ClassDesc TiledBasisSet_cd( typeid(TiledBasisSet), "TiledBasisSet",
^~~~~~~~~~~~~
/<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.cpp:38:47: note: suggested alternative:
In file included from /<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.cpp:28:0:
/<<PKGBUILDDIR>>/src/lib/chemistry/qc/basis/tiledbasisset.hpp:50:9: note: 'mpqc::TA::TiledBasisSet'
class TiledBasisSet: public sc::GaussianBasisSet {
^~~~~~~~~~~~~
Is this a known problem? Am I compiling TiledArray incorrectly? As far as I can tell, the namespace TA = TiledArray; in tiledarray_fwd.h should be active.
After finally having current MADNESS and TiledArray-0.6.0 (hopefully) working again in Debian, I tried to build MPQC master with MPQC_NEW_FEATURES, but get the following build failure:
Is this a known problem? Am I compiling TiledArray incorrectly? As far as I can tell, the
namespace TA = TiledArray;
intiledarray_fwd.h
should be active.