Error: LibXC libraries not found in ./lib or ./lib64

Okay, that partly worked... MRCC is now looking in the correct directory for the libraries, but for some reason it's not finding them. In the ./build/ directory there are bin, include and lib directories, all created when I installed libxc. ls from the lib directory gives:

libxcf03.la libxcf03.so.15 libxc.la libxc.so.15 pkgconfig
libxcf03.so libxcf03.so.15.1.2 libxc.so libxc.so.15.1.2

However, for some reason, I'm still getting the error that the LibXC directories aren't found in /home/granem94/mrcc/mrcc-26.1.3/build/lib.

Should I try reinstalling LibXC? I'm not sure what difference it would make, but if you think it would help...?

You have dynamic build. Maybe you should comment .a files detection and uncomment .la.

I used that command yesterday to compile LibXC 7.0.0 statically using ifort/icx (and it works, hehe):

cmake -Bbuild -DCMAKE_BUILD_TYPE=Release -DCMAKE_C_COMPILER=icx -DCMAKE_Fortran_COMPILER=ifort -DENABLE_FORTRAN=ON -DCMAKE_INSTALL_PREFIX=$(pwd)/install

Then copied installed library into proper place.
And it produced only .a files and that's why I removed .la detection of libxc in build.mrcc.common.

Probably that check is imperfect.

Swapping the comments in the config file fixed it!

It's compiling with a LOT of warnings (type and rank mismatches), though, and more errors than I think is probably healthy... I even saw a fatal error at one point. Expected the build to stop, but it's still running...

Now you can relax... With GCC, MRCC compilation will take like 12-20 hours. I do not remember exact time.

If there are errors, let's wait until first run of ./build.mrcc. Maybe some of them in integ.f and other files about libxc modules since it might not able to find them properly. For the other files I do not know.

Do you use GCC 15/16? It might raise some problems... With GCC 14.1, I was able to compile MRCC 25.1.3. I did not compile GCC 16.X for testing MRCC 26.X.Y yet.