quantum-espresso/dev-tools

Dev Tools

This directory contains several tools that may be useful for developers

• mem_counter. A script that tracks all calls to allocate and deallocate, appending a call to subroutine UtilXlib/mem_counter.f90. Calls python script mem_counter.py, written by Pietro Bonfà (CINECA) and improved by Samuel Poncé. mem_counter -h gives information on how to use it. BEWARE: you may still need to manually edit some files that do not compile.

• mem_analyse.py is a python script, by Samuel Poncé, locating memory leaks. See the script header for directions on how to use it.

• src-normal. A script that "normalizes" the fortran syntax to QE style (see below). Calls python script src-normal.py, written by Norbert Nemec.

  Usage: src-normal file1.f90 [file2.f90 ...] or src-normal

• Utilities for PWgui:

  • check_gui (called via Makefile)
  • diff_gui_help
  • guihelp.xsl
  • update_gui_help

• Utilities for helpdoc (see README.helpdoc):

  • helpdoc
  • helpdoc.d
  • helpdoc.schema
  • input_xx.xsl

• Utilities for emacs_mode:

  • gen-emacs-mode
  • gen-emacs-mode.tcl

Obsolescent utilities

• GPU utilities by Pietro Bonfà:
  • get_device_props.py
  • device_props.c
• Other utilities:
  • calltree.pl A perl script, to be run from the root QE directory, producing in the standard output the tree of called routines
  • callhtml.pl As above, producing a html page with the tree of called routines

Coding style

These are some basic rules for Fortran codes enforced by src_normal:

• Use spaces for indentation instead of tabs (tab width 8 characters).
• Trailing whitespaces at the end the line should be removed.
• Normalize multiword keywords (e.g. END DO).
• Use capitalize version of the intrisic keywords (IF, DO, SUBROUTINE, etc.).
• Use the newest version of the comparison operators (==, >, etc.) instead of the old one (.eq., .gt., etc.)