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

I've been trying to compile MRCC on my HPC using GNU compilers (unfortunately, in order to interface with CFOUR, I need to use the foss compiler set, installed with easybuild). I have installed the libxc libraries in a build directory which I placed in the folder with all the MRCC source code (so, it's in /home/granem94/mrcc/mrcc-26.1.3/build), which is where I'm also trying to direct MRCC to compile to.

For some reason, however, when I try to compile MRCC, I keep getting the error message:
Error: LibXC libraries not found in ./lib or ./lib64

The command I am using to install MRCC is:
./build.mrcc GNU -pOMP -pMPI=OpenMPI -llibxc -L /home/granem94/mrcc/mrcc-26.1.3/build -f/home/granem94/mrcc/mrcc-26.1.3/build

My understanding is that this command should be directing MRCC to the libxc libraries. I have also tried:
./build.mrcc GNU -pOMP -pMPI=OpenMPI -L /home/granem94/mrcc/mrcc-26.1.3/build -llibxc -f/home/granem94/mrcc/mrcc-26.1.3/build
./build.mrcc GNU -pOMP -pMPI=OpenMPI -llibxc -L  /home/granem94/mrcc/mrcc-26.1.3/build -f/home/granem94/mrcc/mrcc-26.1.3/build

I also tried installing it from the build directory itself:
../build.mrcc GNU -pOMP -pMPI=OpenMPI -llibxc -f/home/granem94/mrcc/mrcc-26.1.3/build

This last command actually works, but as a consequence the build process is not finding the functions f_getxclib and f_GNU, and so the build fails anyway.

Does anyone know what the problem might be? Why isn't the -L option working?

Hi!

You have to remove line
```
[ ! -e $LIBS_LIBXC/$dir/$file.la ] && all_exist=0 && break
```
in build.mrcc.config and compile libxc statically. Then, export LIBXC_LIBS=<libxc-install-dir> and try to compile MRCC again.

I have no idea why it tries to check *.la files while *.a is enough for static builds. Looks like some unnecessary artifacts for m4 epoch.

What do you mean when you say ‘compile LibXC statically’? Is that different to how it’s explained in the installation from source instructions in the manual?

I tried following your advice (except I only commented out the line you mentioned—I'm hoping that should be enough?) but I'm getting the same errors. I haven't recompiled libxc, though... I'm not sure how to do it 'statically'. I installed it based on the example in the manual (example 3, part a).

To your original question "Why isn't the -L option working?"

It seems there is an extra space in your command that should not be there after -L.

Could you try like this?:
-L/home/granem94/mrcc/mrcc-26.1.3/build

Bests,
Peter and Laci

I've tried it with and without the space and it made no difference, unfortunately (I'm not sure why the spaces appeared in my posts—they weren't there when I copied it in).

Seems like `LIBS_LIBXC` env var is not defined. By default, it is defined as ".", so, your lib64 should be in MRCC tree.

Like:

BASIS/
MTEST/
lib64/ (and here libxc.a, libxcf03.a)

Or do `export LIBS_LIBXC=<...>` where lib64/ is located.