To link ABINIT with BigDFT, BigDFT must be compiled as a library.

Before compiling, one should compile or provide its dependencies :

• libXC ;
• libYAML ;
• linear algebra (Lapack and Blas or equivalents) ;
• a subset of ABINIT called later on libABINIT.

libXC, libYAML and the linear algebra are official packages provided by upstream. Refer to the different project pages for compilation indications.

To compile libABINIT, download it from abinit.org. It works with the Autotools. So configure it with :

./configure FC=mpif90 --with-libxc-incs="-I/path/to/libXC/install/includes" --with-libxc-libs="-L/path/to/libXC/install/lib -lxcf90 -lxc"

Mind that it depends on libXC itself that should be compiled before.

BigDFT is using the Autotools. One can download it from abinit.org. To configure it, one needs to provide access to all dependencies. Besides, one should disable the building of binaries and of Python bindings :

./configure FC=mpif90 --with-libxc-incs="-I/path/to/libXC/install/includes" --with-libxc-libs="-L/path/to/libXC/install/lib -lxcf90 -lxc" --with-libabinit-incs="-I/path/to/libABINIT/install/includes" --with-libabinit-libs="-L/path/to/libABINIT/install/lib -labinit" --disable-binaries --disable-bindings --without-gobject --enable-libbigdft

Add bigdft to the dft flavor in ABINIT configuration : --with-dft-flavor=bigdft+…