Developing Tools for nanohub.org. Michael McLennan Software Architect Network for Computational Nanotechnology

Developing Tools for nanoHUB.org

Michael McLennan

Software Architect

Why bother uploading tools?

Most people just post their source code:

Users have to:

• Download

• Unpack

• Compile / Install

…oops! Something went wrong here

Hello,

I am grad student from Kazakhstan.

Your tool not compile for me. I get

errors. That’s a not very nice.

Hello,

I am grad student from Kazakhstan.

Your tool not compile for me. I get

errors. That’s a not very nice.

Hey, can you help me?

Hey, can you help me?

Deliver ANY Graphical Application via the Web

Maxwell’s

Daemon

Physical Machine

Virtual Machine

Rendering Farm

nanoHUB cluster

Violin

nanowire job

nanowire job

nanowire job

Case in point: Schred

366 Users Last 12 months

Rappture version Feb 06

Putting out Open Source

your code

/*

* ================================================= * AUTHOR: Michael McLennan, Purdue University

* Copyright (c) 2007 Purdue Research Foundation *

* See the file "license.terms" for information on * usage and redistribution of this file, and for a * DISCLAIMER OF ALL WARRANTIES.

* ================================================= */

…

/*

* ================================================= * AUTHOR: Michael McLennan, Purdue University

* Copyright (c) 2007 Purdue Research Foundation *

* See the file "license.terms" for information on * usage and redistribution of this file, and for a * DISCLAIMER OF ALL WARRANTIES.

* ================================================= */

…

Know where you stand

Overview of the process

User nanoHUB team waiting for…

Registering your tool

User nanoHUB team waiting for…

Start the process by filling

out a form that tells us

about your tool:

• Tool name/version • Who can run the tool? • Who can access the code?

Creating a project area

User nanoHUB team waiting for…

We create a project area

for your tool on our

developer site

• Wiki for project documentaton • Subversion source code control • Ticketing system for bugs

Your project area

NOTE: You may

have to log in to

see some buttons

Buttons to access

project functions:

Editing wiki pages

Once logged in, you can edit

Wiki mark-up

Complete instructions in your project area at wiki/WikiFormatting

Creating wiki pages

Your project name

/wiki

section

Make up a name

Linking wiki pages

Create the page first, then link to it:

Or, create the link first, then click on the link to create the page:

Back to the process…

User nanoHUB team waiting for…

We create a project area

for your tool on our

developer site

• Wiki for project documentaton • Subversion source code control • Ticketing system for bugs

What’s happening?

Uploading your code

User nanoHUB team waiting for…

Upload your code into a

nanoHUB workspace.

Compile, test, and commit

changes back to your

Using nanoHUB workspaces

Once your tool has been registered and created, you should be approved for workspace access. You’ll see workspaces listed on your “my nanoHUB” page:

svn checkout https://repo.nanohub.org/svn/app-yourtool/trunk app-yourtool cd app-yourtool/rappture

vi tool.xml rappture

svn checkout https://repo.nanohub.org/svn/app-yourtool/trunk app-yourtool cd app-yourtool/rappture

vi tool.xml rappture

See instructions in your project area at wiki/GettingStarted

See

workspace tutorial

Using nanoHUB workspaces

Once your tool has been registered and created, you should be approved for workspace access. You’ll see workspaces listed on your “my nanoHUB” page:

rappture vi tool.xml rappture … svn add tool.xml cd .. svn commit rappture vi tool.xml rappture … svn add tool.xml cd .. svn commit

What is Rappture?

Scientist

• R

apid

App

lication Infrastruc

ture

• Created by NCN in Nov 2004

• Open Source

•

Rappture tutorial

on nanoHUB

• Works with your favorite

programming language

Rappture

=

Simulation

Rappture works by defining the interface

XML interface description

<run> <tool>

<title>Name of the tool</title> <about>Description and credits</about> <command> @tool/path/to/executable @driver </command> <limits> <cputime>900</cputime> <filesize>1000000</filesize> </limits> </tool> <input> ... </input> <output> ... </output> </run>

CNTbands

model

integer: n

integer: m

choice: sim method

…

curve: E-k diagram

curve: DOS

molecule: structure

Over 60 tools online at nanoHUB.org

Uploading your code

User nanoHUB team waiting for…

Tool status page:

Uploading your code

User nanoHUB team waiting for…

Tool status page:

Edit your tool information page

Installing your tool

User nanoHUB team waiting for…

We install your tool

• Latest code from Subversion • Compile, install

Testing your tool

User nanoHUB team waiting for…

Testing your tool

User nanoHUB team waiting for…

Updating your tool

User nanoHUB team waiting for…

We re-install your tool

Testing your tool—again

User nanoHUB team waiting for…

Last step…

waiting for…

We publish your tool

• Make sure that the tool works • Check the tool information page • Then, publish your tool

Your tool is published

User nanoHUB team waiting for…

Approved

Updating your tool

Registered Created Uploaded Installed Updated Published Retired Contribution form

User nanoHUB team waiting for…

We re-install your tool

You approve it

We take one last look

Promote your work on nanoHUB.org

Become a Contributor

Don’t let your code gather

dust on the shelf. Get it

out there!

Upload your own:

•

Tools

•

Tutorials