2.5 Compilation

There are a few adjustable parameters in Modules/parameters.f90. The present values will work for most cases. All other variables are dynamically allocated: you do not need to recompile your code for a different system.

At your choice, you may compile the complete QUANTUM ESPRESSO suite of programs (with make all), or only some specific programs. make with no arguments yields a list of valid compilation targets:

• make pw compiles the self-consistent-field package PWscf
• make cp compiles the Car-Parrinello package CP
• make neb downloads PWneb package from qe-forge unpacks it and compiles it. All executables are linked in main bin directory
• make ph downloads PHonon package from qe-forge unpacks it and compiles it. All executables are linked in main bin directory
• make pp compiles the postprocessing package PostProc
• make pwcond downloads the balistic conductance package PWcond from QE-FORGE unpacks it and compiles it. All executables are linked in main bin directory
• make pwall produces all of the above.
• make ld1 downloads the pseudopotential generator package atomic from QE-FORGE unpacks it and compiles it. All executables are linked in main bin directory
• make xspectra downloads the package XSpectra from QE-FORGE unpacks it and compiles it. All executables are linked in main bin directory
• make upf produces utilities for pseudopotential conversion in directory upftools/
• make all produces all of the above
• make plumed unpacks PLUMED, patches several routines in PW/, CPV/ and clib/, recompiles PWscf and CP with PLUMED support
• make w90 downloads wannier90, unpacks it, copies an appropriate make.inc file, produces all executables in W90/wannier90.x and in bin/
• make want downloads WanT from QE-FORGE, unpacks it, runs its configure, produces all executables for WanT in WANT/bin.
• make yambo downloads yambo from QE-FORGE, unpacks it, runs its configure, produces all yambo executables in YAMBO/bin
• make gipaw downloads GIPAW from QE-FORGE, unpacks it, runs its configure, produces all GIPAW executables in GIPAW/bin and in main bin directory.
• make west downloads WEST from www.west-code.org, unpacks it, produces all the executables in West/Wfreq and West/Wstat.

For the setup of the GUI, refer to the PWgui-X.Y.Z /INSTALL file, where X.Y.Z stands for the version number of the GUI (should be the same as the general version number). If you are using the SVN sources, see the GUI/README file instead.

If make refuses for some reason to download additional packages, manually download them into subdirectory archive/, not unpacking or or uncompressing them, and try make again. Also see Sec.(2.1).