Installation

Presently, the Quantum-ESPRESSO package is only distributed in source form; some precompiled executables (binary files) are provided only for
PWgui. Providing binaries would require too much effort and would work only for a small number of machines anyway.

Stable releases of the Quantum-ESPRESSO source package (current version is 3.0) can be downloaded from this URL:

http://www.pwscf.org/download.htm

Uncompress and unpack the distribution using the command:

tar zxvf espresso-3.0.tar.gz

If your version of tar doesn't recognize the z flag, use this instead:

gunzip -c espresso-3.0.tar.gz | tar xvf -

cd to the directory espresso/ that will be created. The bravest may access the (unstable) development version via anonymous CVS (Concurrent Version System): see the file README.cvs contained in the distribution.

To install Quantum-ESPRESSO from source, you need C and Fortran-95 compilers (Fortran-90 is not sufficient, but most "Fortran-90" compilers are actually Fortran-95-compliant). If you don't have a commercial Fortran-95 compiler, you may install the free g95 compiler (http://www.g95.org/): it is still unfinished but already usable. You also need a minimal Unix environment: basically, a command shell (e.g., bash or tcsh) and the make and awk utilities. MS-Windows users need to have Cygwin (a UNIX environment which runs under Windows) installed. See http://www.cygwin.com/.

Instructions for the impatient:

  ./configure
  make all

Executable programs (actually, symlinks to them) will be placed in the bin/ directory.

If you have problems or would like to tweak the default settings, read the detailed instructions below.