If you wish, you may use libxc in your own code; libxc is released under the LGPL license (v. 3.0). You can download the code from here:
- libxc 2.2.1 (identical to 2.1.1, except that the Fortran interfaces are in a separate library)
- libxc 2.1.1
- libxc 2.2.0 (identical to 2.1.0, except that the Fortran interfaces are in a separate library)
- libxc 2.1.0
- libxc 2.0.3
- libxc 2.0.2
- libxc 2.0.1
- libxc 2.0.0
- libxc 1.2.0 (not compatible with Octopus 4.0.1, use 1.1.0)
- libxc 1.1.0
- libxc 1.0.0 (older version)
You can also get it directly from the svn repository. If you plan to develop libxc, you should get the development version from the repository:
$ svn co http://www.tddft.org/svn/libxc/trunk/ libxc $ cd libxc $ autoreconf -i $ ./configure $ make $ make install
The trac page is here: http://www.tddft.org/trac/libxc. While there is a testsuite provided, it will report some errors in most cases. This is not something to worry about.
libxc is now available in Fedora. To compile against libxc one just needs to install the development package with
$ yum -y install libxc-devel
If the libxc Fortran module file is needed, one needs to add '-I/usr/lib64/gfortran/modules' or '-I/usr/lib/gfortran/modules' (on 32-bit systems) to the compiler arguments.
$ sudo add-apt-repository ppa:hogliux/misstep
Now libxc can be installed via the Ubuntu software centre and will receive automatic updates.
$ brew install gfortran $ brew install libxc
$ sudo port selfupdate $ sudo port install libxc
Again the user will receive automatic updates. Note: installation time takes very long because gfortran needs to be built first.
The C interface of libxc is defined in the header src/xc.h.
The fortran interface is provided by the libxc module that can be found under the directory src/ of the libxc directory.
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