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Compiling system

In this section, we will illustrate the compiling system of the iQIST software package. In fact, it is completely based on the well-known GNU GCC tool-chain.

The compiling system is in the iqist/build directory which includes the following files/folders:

  • Makefile
  • make.sys
  • build.md
  • template/linux
  • template/macos
  • template/tianhe
  • x_setup.sh
  • x_clean.sh

Next, we will explain them in detail.

Makefile

It is the central file of the compiling system. Usually, when you type "make target" command in the terminal, the make utility will parse this file and then apply the rules defined in it to build the target. Now suppose that you are in the iqist/build directory, you can execute

$ make help

to see the available targets, and input

$ make help-more

for more details.

Warning

DO NOT touch this file by yourself even you are very familiar with the iQIST software package.

make.sys

We design this file to configure the compiling system. In this file, we have to specify the Fortran compiler, the parallel environment, the linear algebra library, and the target hardware architecture, etc.

Warning

The make.sys file is system-dependent, i.e., you have to modify it to fit your systems. Or else, the compiling will fail definitely.

In the iqist/build/template directory, we provide a lot of make.sys files for various systems we have tested. You can consider them as references. We strongly recommend the users go through the make.sys file carefully and check whether the settings are correct before they start to compile the iQIST.

build.md

In this file, we provide some hints/explanations about the make.sys template files.

template

In this folder, we provide a few make.sys files which are designed and tested for various systems. You can modify them to fit your requirement, and then copy it to override the default make.sys file (i.e., the iqist/build/make.sys file).

  • template/linux, containing template make.sys files for Linux system.
  • template/macos, containing template make.sys files for Mac OS X system.
  • template/tianhe, containing template make.sys files for the TianHe-1 supercomputer system in Tianjin, China.

x_setup.sh

When the compiling finishes, you can execute this script in the terminal to copy all of the (available) built targets into the build directory (i.e., the iqist/build directory).

$ ./x_setup.sh

x_clean.sh

Sometimes, you come across the idea of deleting the executable programs in the iqist/build directory. The x_clean.sh script can help you to clean them and give you a fresh start.

$ ./x_clean.sh