Closed javierelpianista closed 4 years ago
@javierelpianista would you mind sharing the full output from your build attempt? Where is libint2/libint2_params.h
being included?
@evaleev Thanks for your reply. Here are my config.log file (after running ./configure
) and the output of the make command (after make
)
Without creating the symbolic links myself, I get the following error:
g++ -c -O3 -lgomp -fopenmp -o ao_integrals_c.o ao_integrals.cpp -I/data/jgarcia/lib/libint/libint-2.6.0-gfortran/include/ -I/data/jgarcia/lib/libint/libint-2.6.0-gfortran/include/libint2 -I/data/jgarcia/lib/eigen -L../saptlib -lsapt -lstdc++ /data/jgarcia/lib/libint/libint-2.6.0-gfortran/libint2.a
In file included from /data/jgarcia/lib/libint/libint-2.6.0-gfortran/include/libint2.h:34,
from /data/jgarcia/lib/libint/libint-2.6.0-gfortran/include/libint2/cxxapi.h:29,
from /data/jgarcia/lib/libint/libint-2.6.0-gfortran/include/libint2.hpp:24,
from ao_integrals.cpp:5:
/data/jgarcia/lib/libint/libint-2.6.0-gfortran/include/libint2/util/generated/libint2_params.h:26:12: fatal error: libint2/libint2_params.h: No such file or directory
# include <libint2/libint2_params.h>
^~~~~~~~~~~~~~~~~~~~~~~~~~
compilation terminated.
make: *** [ao_integrals_c.o] Error 1
@javierelpianista there are 2 issues:
Follow the instructions in INSTALL file and let me know if this issue still occurs.
@evaleev I now managed to install libint properly and the header files are located where they are supposed to be, so now everything works as it is supposed to. I had assumed that the configure
would work the same but it didn't.
One small issue is that the instructions tell me to mkdir build; cd build; cmake .
; I think it should be changed to mkdir build; cd build; cmake ../
instead.
Thanks a lot for your help!
Great! Yes, I should have added a warning to configure about the deprecation ... but autotools should have worked anyway, my guess is that trying to use the library from the source (same as build) location was the issue. With CMake such problems are not possible since the targets are designed to work correctly in build and in install trees.
Thanks for catching the typo! Please make a PR to get credit!
On Mon, Jan 27, 2020 at 3:58 PM Javier notifications@github.com wrote:
@evaleev https://github.com/evaleev I now managed to install libint properly and the header files are located where they are supposed to be, so now everything works as it is supposed to. I had assumed that the configure would work the same but it didn't.
One small issue is that the instructions tell me to mkdir build; cd build; cmake .; I think it should be changed to mkdir build; cd build; cmake ../ instead.
Thanks a lot for your help!
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Whenever I install libint2 and try to use it, the compiler complains that it doesn't find libint2/libint2_params.h (and other similarly named header files). To solve this problem I have to create symbolic links to all
include/libint2*.h
files in theinclude/libint2
folder. This happens when I use the library downloaded from https://github.com/evaleev/libint/releases/download/v2.6.0, but also when I download the libint2 compiler and create my own library.The compiler options I use to compile my code are:
-I/data/jgarcia/lib/libint/libint-2.6.0-gfortran/include/ -I/data/jgarcia/lib/eigen -L../saptlib -lsapt -lstdc++ /data/jgarcia/lib/libint/libint-2.6.0-gfortran/libint2.a
Am I doing something wrong here? I feel that the user shouldn't have to do this by hand, but the configure script by itself should do it.