mirror of https://gitlab.com/QEF/q-e.git
82 lines
2.9 KiB
Plaintext
82 lines
2.9 KiB
Plaintext
==============================================================================
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* * * README file for PWgui (and PWscf) developers * * *
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==============================================================================
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*** see INSTALL.repository for how to run the repository version of PWgui !!!
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For QE developers: updating the PWgui modules
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---------------------------------------------
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When new input variables are added to a given QE program, please
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update corresponding module definition files, which are located in
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modules/ directory.
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Before committing changes to the repository, please check that the
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updated module works! If you face troubles, please consult
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tone.kokalj@ijs.si.
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What is a "module" in PWgui
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---------------------------
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A "module" stands for the definition of the input of a given QE
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program. The description of the input syntax is specified using the
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GUIB-definition language. Such a description provides two items: (i)
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it defines the input-syntax and concomitantly (ii) defines the GUI.
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The modules are located in the modules/ directory. Each module is
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located in its own directory. For example, the PW.X module is located
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in directory modules/pw. The following files are located therein:
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* pw.tcl - the main module definition file, the rest of
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the files are sourced from it
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* pw-event.tcl - implementation of the event-driven mechanism
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* pw-help.tcl - help file describing the pw.x variables
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* commands.tcl - auxiliary commands used by file pw.tcl
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Hereafter such files are called "module definition files".
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How to add a new module to PWgui
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--------------------------------
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Let's say we want to add a new module named "mymodule". We have to
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perform two tasks:
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(i) Write the module definition files
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Create a directory: modules/mymodule, and therein a file
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mymodule.tcl. If needed, create also mymodule-event.tcl,
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mymodule-help.tcl, and commands.tcl files.
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For the syntax of the module definition file, see some existing
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modules. For example, see files in modules/pp (an easy example), or in
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modules/pw (a complex example). For further documentation see also:
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http://www-k3.ijs.si/kokalj/guib/documentation.html.
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(ii) Inform the GUI about the new module
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Edit the src-tcl/pwscf.itcl file, and add the following line on the
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proper place (search for addModule string):
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$gui addModule module mymodule "MyModule.X" \
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[file join $env(PWGUI) modules mymodule mymodule.tcl] {
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{{MyModule.X Input File} {*.my.inp}}
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}
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It is recommended to also add a documentation for the module. Let say
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that we have an INPUT_MYMODULE.txt file. We need to tranform it into a
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simple INPUT_MYMODULE.html file in the doc/ directory by editing the
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doc/Makefile file. Then we sould edit the src-tcl/pwscf.itcl file and
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add the following line on the proper place (search for addHelp
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string):
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$gui addHelp help mymodule "MyModule.X Input Syntax" \
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[file join $env(PWGUI) doc pwdocs INPUT_MYMODULE.html]
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--
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Anton Kokalj (tone.kokalj@ijs.si), Jan 2022 |