Compiling from source, using make

It is also possible to compile using the unix make utility alone, using a simple Makefile that is provided in the make/ subdirectory of the git repository. The instructions for using make to compile from source are the same on any unix-like operating system, including Max OS X. The main differences among different unix environments are the locations of the required libraries.

To compile the code in this way, proceed as follows:

  • Follow the directions given in the discussion of Installing Dependencies on the previous page. You will need to install all dependencies listed there except cmake.

  • Follow the directions given in the discussion of Obtaining the Source Code on the previous page to create an appropriate directory structure and obtain the source code. After this step, you should have a directory named pscf/ with a subdirectory named git/ that contains the contents of the git repository. If you are not using cmake, then you do not need to create a subdirectory of pscf/ named cmake/.

  • Change working directory (cd) to the directory pscf/git/make . Note that this is an existing subdirectory of the pscf/git directory, and is different from the initially empty directory pscf/cmake from which we recommended cmake be invoked when using cmake to compile.

  • The pscf/git/make directory will contain files named config.mk_r and Makefile. Make a copy of the file config.mk_r, by entering:

    cp config.mk_r config.mk

  • Examine and edit the new config.mk file to reflect your environment, and to specify an installation directory. See below for further instructions about this step. The need to manually edit this configuration file is the main difference between using cmake to generate makefiles and using the simple makefile distributed with the source code.

  • To compile, enter:

    > make -j4 all

    from within pscf/git/make. The “-j4” option is not necessary, and simply instructs the make utility to try to use up to 4 CPU cores during compilation, if multiple cores are available.

  • To install in the directory specified by the $(INSTALL) makefile variable (as defined in config.mk), enter:

    > make install

  • Follow the directions given in the subsection of the previous page entitled Modifying Search Paths in order to modify environment variables that define search paths.

Several of these steps are discussed in more detail below.

Editing the config.mk configfuration file

In the config.mk file in the src/make directory (which you should have created by making a copy of config.mk_r), you will need to set values for several macro variables to values appropriate to your system. Makefile variables you may need to reset are:

F90 path to executable for Fortran 90 compiler
FAST compiler options for high optimization
NOPT compiler options for no optimization
LIBDIR option setting any nonstandard directories for libraries
LAPACKLIB option setting name of lapack library (e.g., “-l liblapack”)
FFTWLIB option setting name of the FFTW library (e.g., “-l fftw3”)
INSTALL root installation directory

The INSTALL makefile variable in this makefile is equivalent to the MAKE_INSTALL_PREFIX variable that can be passed to cmake when using cmake to create a makefile.

The file config.mk_r is a default makefile that is stored in the repository. We require you to make an operational copy of this, named config.mk, so that you can modify your config.mk file as needed without changing the default copy. The config.mk_r file contains values for Makefile variables appropriate for a several different common operating system environments, most of which are commented out. It also contains some comments about appropriate choices for specific environments. Modify your copy of config.mk as needed, but avoid modifying config.mk_r, and make sure you give exactly one uncommented definition for each variable in the config.mk file, and comment out any unused definitions.

Compile and Link

To compile and link, from the git/make directory, simply enter:

> make -j4

This should create several .o object files and .mod module files in the git/make directory, and then create an executable file named pscf in the same directory.

Install

To install a copy of the executable file in your chosen location, after compiling, simply enter:

> make install

This will install:

  • pscf and other executable files in directory $(INSTALL)/bin/
  • python modules in $(INSTALL)/lib/python2.7/site-packages/pscf/
  • matlab scripts in $(INSTALL)/lib/matlab
  • text files in $(INSTALL)/share

where $(INSTALL) denotes the value of the makefile variable defined in the config.mk file.

Cleaning Up

To remove all generated files from the git/make directory, if desired, enter:

> make clean

To remove all files installed in the INSTALL directory by the “make install” command, enter:

> make uninstall