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evaleev / libint

Libint: high-performance library for computing Gaussian integrals in quantum mechanics
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cmake fail #170

Closed nadnatalia closed 2 years ago

nadnatalia commented 4 years ago

Hi,

I have been trying to compile libint2.6 for cp2k7.1. I always stumble on the second part of cmake. I used spack to compile cp2k (hence libint compilation was also done under spack). Attached is the out and the error log that were given out by spack.

I have also tried to compile libint using https://xconfigure.readthedocs.io/en/latest/libint/ as a step by step guidance, and every time I invoke the "make distclean" command it spits me out instantaneously with the following error:

make: *** No rule to make target `distclean'.  Stop.

Please help?

error.txt spack-build-out.txt

evaleev commented 4 years ago

this

     2004    In file included from ./include/libint2.h:34:0,
     2005                     from src/CR_aB_X0__0___Overlap_X0__0___Ab__up_.cc:21:
  >> 2006    ./include/libint2/util/generated/libint2_params.h:29:22: error: missing binary operator before token "("
     2007     #    if __has_include(<libint2_params.h>)
     2008                          ^

suggests that the c++ compiler is not c++11 compliant ... which compiler is being used?

nadnatalia commented 4 years ago

I used gcc@4.8.5, which I learned is not c++11 compliant. I am trying to recompile with gcc@8.2.0