libint2 warning on ubuntu:devel

[junghans]

[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/pmlocalization.cc.o
cd /__w/votca/votca/builddir/xtp/src/libxtp && ccache /usr/bin/g++ -DBOOST_ALL_NO_LIB -DBOOST_CHRONO_DYN_LINK -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_SYSTEM_DYN_LINK -DBOOST_TIMER_DYN_LINK -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/__w/votca/votca/xtp/src/libxtp -I/__w/votca/votca/xtp/include -I/usr/include/hdf5/serial -I/__w/votca/votca/builddir/xtp/include -I/__w/votca/votca/builddir/xtp/include/votca/xtp -I/__w/votca/votca/csg/include -I/__w/votca/votca/tools/include -I/__w/votca/votca/builddir/tools/include/votca/tools -I/__w/votca/votca/builddir/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wno-deprecated-copy -Werror -O3 -DNDEBUG -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -MF CMakeFiles/votca_xtp.dir/pmlocalization.cc.o.d -o CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -c /__w/votca/votca/xtp/src/libxtp/pmlocalization.cc
In file included from /usr/include/libint2/initialize.h:36,
                 from /__w/votca/votca/xtp/src/libxtp/parallelxjobcalc.cc:25:
In static member function 'static size_t libint2::DerivMapGenerator::how_many_derivs(size_t, size_t)',
    inlined from 'static libint2::Tensor<long unsigned int> libint2::DerivMapGenerator::generate_deriv_index_map(size_t, libint2::BraKet)' at /usr/include/libint2/deriv_map.h:203:41:
/usr/include/libint2/deriv_map.h:126:25: error: 'ncenters' may be used uninitialized [-Werror=maybe-uninitialized]
  126 |               val *= (3 * k + i);
      |                       ~~^~~
/usr/include/libint2/deriv_map.h: In function 'static libint2::Tensor<long unsigned int> libint2::DerivMapGenerator::generate_deriv_index_map(size_t, libint2::BraKet)':
/usr/include/libint2/deriv_map.h:171:18: note: 'ncenters' was declared here
  171 |           size_t ncenters;
      |                  ^~~~~~~~
cc1plus: all warnings being treated as errors
gmake[2]: *** [xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build.make:1339: xtp/src/libxtp/CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o] Error 1
gmake[2]: *** Waiting for unfinished jobs....
In file included from /usr/include/libint2/engine.impl.h:34,
                 from /usr/include/libint2/engine.h:1020,
                 from /usr/include/libint2/cxxapi.h:45,
                 from /usr/include/libint2.hpp:24,
                 from /__w/votca/votca/xtp/src/libxtp/libint2_calls.cc:30:
/usr/include/libint2/boys.h: In constructor 'libint2::TennoGmEval<Real>::TennoGmEval(unsigned int, Real)':
/usr/include/libint2/boys.h:875: note: '-Wmisleading-indentation' is disabled from this point onwards, since column-tracking was disabled due to the size of the code/headers
  875 |         if (mmax > cheb_table_mmax)
      | 
/usr/include/libint2/boys.h:875: note: adding '-flarge-source-files' will allow for more column-tracking support, at the expense of compilation time and memory
gmake[1]: *** [CMakeFiles/Makefile2:5116: xtp/src/libxtp/CMakeFiles/votca_xtp.dir/all] Error 2
gmake[2]: Leaving directory '/__w/votca/votca/builddir'
gmake[1]: Leaving directory '/__w/votca/votca/builddir'
gmake: *** [Makefile:149: all] Error 2

[baumeier]

That is in libint, not sure what I could even do with that.

[junghans]

I think we have two options:

1. Disable the warning as part of the CI (user will still see it), like in

   votca/.github/actions/setup/setup.sh

   Lines 101 to 104 in 4645704

   	# workaround for votca/votca#891
   	if [[ ${INPUT_DISTRO} = ubuntu:* && ${INPUT_TOOLCHAIN} = "gnu" ]]; then
   	cmake_args+=( -DVOTCA_EXTRA_WARNING_FLAGS="-Wno-deprecated-copy")
   	fi

2. Disable the warning when we include libint2.h (user won't see it anymore) like in

   votca/tools/include/votca/tools/eigen.h

   Lines 47 to 57 in 4645704

   	#if (defined STRICT_GNUC) && GCC_VERSION > 70000
   	#pragma GCC diagnostic push
   	#pragma GCC diagnostic ignored "-Wint-in-bool-context"
   	#endif
   	#include <Eigen/Eigen>
   	#include <unsupported/Eigen/CXX11/Tensor>
   	#include <unsupported/Eigen/FFT>
   	#include <unsupported/Eigen/SparseExtra>
   	#if (defined STRICT_GNUC) && GCC_VERSION > 70000
   	#pragma GCC diagnostic pop
   	#endif

Pick your poisson.

[baumeier]

I understand it correctly, that in the first case, we disable all warnings like this, not only for libint, right?

Then, I'd probably prefer 2, though I am unsure where that is required.

[baumeier]

@junghans any clue where one needs to do that for libint2.h?

[junghans]

$ git grep libint2\.hpp
CMakeModules/Findlibint2.cmake:find_path(LIBINT2_INCLUDE_DIR libint2.hpp HINTS ${PC_LIBINT2_INCLUDE_DIRS})
xtp/src/libxtp/libint2_calls.cc:#include <libint2.hpp>

So I think we only have to wrap it in one place: ibint2_calls.cc!

[junghans]

We went with option 1.) in #1088