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The Taverna Software Suite
Prof Carole Goble FREng FBCS CITP
The University of Manchester, UK
carole.goble@manchester.ac.uk
http://www.mygrid.org.uk
http://www.taverna.org.uk
The Taverna Suite of Tools
Client User Interfaces
User InterfacesWorkflow Repository
Service Catalogue
Third Party Tools
Web Portals / Gateways
Activity and Service
Plug-in Manager
Workflow Provenance Workflow Server
Secure Service Access
OAuth1 & 2, username/password,
certificates.
Workflow Engine
Virtual
Machine
Prog
APIs
Command
Line
Player
Workflow
Components
Workbench Taverna Lite
Interaction
Server
VPH-Share Project
Models of Human
Physiology
Eagle Genomics & NHS
Next Generation
Sequencing based
Patient Diagnostics
Astronomy &
HelioPhysics
Library Doc
Preservation
Systems Biology of
Micro-Organisms
OpenTox Project
Chemistry
Development Kit
Drug Toxicity
BioDiversity
Invasive Species
Modelling
Metagenomics
5820 members, 304 groups,
2415 workflows, 604 files and
229 packs (research objects)
biovel.myexperiment.org
5820 members, 304 groups,
2415 workflows, 604 files and
229 packs (research objects)
The Wf4Ever Components
http://www.wf4ever-project.org
Models
Encoded in Standards
Contributed to Standards
Services
Foundational, Extension, User
APIs, Architecture
Web protocols/services
Policy and Planning
Leveraging established
protocols
Preservation planning, policies
Best workflow design practices
Reference Systems
Command line+
Third party systemsUser Driver
The Research Object www.researchobjects.org
Execution Platform
Using and Making Standards
Standard id for
each
component
ORCID, DOI,
URI
OAI-ORE
Structuring and Bundling
descriptions and components.
W3C Open Annotation Data Model (AO)
Wf4Ever instrumental and hosting rollout
meeting in Manchester
Transferable annotations
Structured and semantically tagged packs for
exchange and for linking across repositories
Semantic Web Encoding
Aggregation
Annotation
Identit
y
ro Ontology
Preservation Checklist
Monitoring environment
Metadata Completeness
Release, not Publish
Software release practice
for workflows and scripts,
services, data, articles,
research objects
Gamble, Zhao, Klyne, Goble. MIM: A Minimum
Information Model Vocabulary and Framework
for Scientific Linked Data, 8th
IEEE e-Science
2012, Chicago, USA
W3C PROV
Repair record
Preserved record of execution
Gil, Miles, Belhajjame, Deus, Garijo, Klyne, Missier,
Soiland-Reyes, Zednik. Primer for the PROV
Provenance Model. World Wide Web Consortium
(W3C). 2012.
Belhajjame, Goble, Soiland-Reyes, De Roure.
Fostering Scientific Workflow Preservation Through
Discovery of Substitute Services. Proc 7th IEEE
eScience 2011 Stockholm Sweden
Schopf, Treating Data Like Software: A Case for
Production Quality Data, JCDL 2012
minim
wfprov roevo
Preservation Model
Experiment Descriptions
Organise workflows into structured
studies
wfdesc
Inputs, outputs, dependencies
Workflow Decay
Component,
Data & Infrastructure
unavailability or
inaccessibility
Taverna
Components
Experiment Decay
Methodological
changes
New technologies,
resources,
components, data
Workflow
Motifs
IEEE e-Science 2012
FGCS submission
Best Practices
SWAT4LS
http://www.researchobject.org/
W3C Research Object for Scholarly Communication (ROSC) Community Group
http://www.w3.org/community/rosc/
Taverna Engine Execution
• Scufl2 language
• Functional dataflow, simple control flows, implicit iteration
• Linking services and tools
• Data movement, monitoring, staging, reference
• “In Workflow Programming” Beanshell scripting
• Provenance collection: W3C PROV(+) format
• Plug-in Framework
– Infrastructures: Grid, HPC, Web Services (SOAP, REST)
– Domain: CDK, BioMart, VOTable, SADI
– Common Tools: Excel Spreadsheets, Google Refine, R
• OAuth security plug-in
Taverna Pro-Workbench
• Desktop application
• GUI
• Intermediate results
views
• Gateway to
BioCatalogue and
myExperiment
• Plug-in Framework
Workflow Blocks made of a workflow
• Well described
• Well behaved
• Well looked after
• Agreed fail
• Agreed formats in and out
• Agreed provenance
Deposited in myExperiment
Grouped into families
Components
Workflow Blocks made of a workflow
• Well described
• Well behaved
• Well looked after
• Agreed fail
• Agreed formats in and out
• Agreed provenance
Deposited in myExperiment
Grouped into families
Components
Workflow Blocks made of a workflow
• Well described
• Well behaved
• Well looked after
• Agreed fail
• Agreed formats in and out
• Agreed provenance
Deposited in myExperiment
Grouped into families
Components
Desktop Client
http://www.xworx.org/
Data Centric Interface
BIFI (Beautiful Interfaces for Inputs)
Taverna Workbench Plug-in, GUI definition language
Data services
• Vanilla Taverna
– Domain data type
neutral
• AstroTaverna plug-in
– IVOA data services
– VOTables
• PyWPS plug-in
– Exposes OGC-compliant
Web Processing
Services that can handle
large data
Taverna Server
• Multiple clients, Multi-user
• SOAP and REST API
Server HostServer Host
Taverna
Server
“Client”
Taverna
Server
“Client”
Taverna
Server
Front
End
Taverna
Server
Front
End
TavServ
Back End
TavServ
Back End
TavServ
Back End
TavServ
Back End
TavServ
Back End
TavServ
Back End
ServiceService
ServiceService
ServiceService
Taverna Server Family
• Taverna Server
– Multiple clients, Multi-user
– SOAP and REST API
• Taverna Server Amazon Machine Image
– Bundled R server, Atom feed server
– Multiple instances in Amazon Cloud and as
required, for multiple users/uses and
different security scenarios
• Taverna Virtual Machine
• Taverna Command Line
• Bundled Servers
Calling DCI Grid/Cloud Services
• Expose services/tools as WSDL/REST services
– HELIO: Fixed host name
– VPH-Share: Services running on dynamically started
instances
– SZTAKI Desktop Grid – BOINC/Debian Package
• Specific service/extension to Taverna
– UNICORE plugin: Ask grid what services are available,
Include services in a workflow, Invoke services on the
grid see talk by Shahbaz Memon
• Library to control job submission to grid
– PBS plugin: beanshells in a workflow include invocations
of jobs
– KnowARC plugin: Advanced Resource Connector to
submit jobs to NorduGrid
Web
interface
Input
SNPs
Results
Storage
(S3)
Ensembl
(mySQL)
Cache
(S3)
Taverna
Server
Taverna
Server
Taverna
Server
Workflow
engine
orchestrator
e-Hive
other
Taverna
Application specific tools and
Web Services
Application specific tools and
Web Services
Application specific tools
and Web Services
WS WS ToolToolWS
All user interaction
via web interface
User data stored in
the Cloud
Data for all tools and Web Services
stored in the Cloud
Unified access to different
workflow engines with our
common REST API
Tools and Web Services for
each workflow are installed
together for easy replication
Cloud Analytics
for Life Sciences
Tavoop—Taverna & Hadoop
• Compiles Taverna Workflow to
collection of Hadoop jobs
• Designed for handling very large
amounts of data
– Overhead to using Hadoop, but
wins if enough data
– Data ingest (expensive step)
must have already been done
• Supports Taverna Platform
Execution interface
• Parallelisable service types
• http://wiki.opf-labs.org/display/SP/PPL Hadoop ClusterHadoop Cluster
Taverna Execution InterfaceTaverna Execution Interface
Tavoop CompilerTavoop Compiler
Portal
(Taverna
Player)
Portal
(Taverna
Player)
GUI
Application
(Workbench)
GUI
Application
(Workbench)
Interacting with a workflow
• Many workflows need user interaction
• A workflow on a server does not need to
be “press a button and wait”
– VPH-Share opens a VNC connection to the
spawned instance.
• Taverna Interaction Service
– Users interact with a workflow (wherever it is
running) in a web browser.
– Interaction Service Plug-in in workbench
URLs and Frames
Taverna Tool Spectrum
Technical Computational
Scientist
Domain
Scientist
Workbench Workbench
Components
Lite Domain-Specific
Website / Tool / Portal
Workflow Visibility
Concept KnowledgeTaverna Domain
High Low
Player Command
Line
Taverna Client Family
• Java library / Ruby GEM
• Run a Taverna workflow in another
workflow system e.g. Galaxy tools
• Command line
• Simple Taverna “player”
– Fixed workflow
• Upload & run workflows and choose
data
– Universitat Pompeu Fabra’s “Soaplab
MajorDomo”
– Taverna Lite
Taverna-Lite
Generic Web-based Client
Hide complexity
Access to datasets
Upload and interact with
workflows
Build Portal
• Homepage
• User-Sessions
• Workflow Management
• Run Management
• Server Credentials
Uses Components for simpler
assembly and workflow
edits
Web apps to create and run workflows
Service Chaining Editor
Pete Walker et al Plymouth Marine Laboratory
For chaining OGC Web Processing Service
geospatial Web services
Web apps to create and run workflows
Online Taverna
• Dr Vadim Surpin and Vitaly Sharanutsa
• Institute for Information Transmission Problems
of Russian Academy of Sciences (IITP RAS)
An online, in-browser application for
assembling and running Taverna Workflows
over a HPC platform
Software Sustainability Institute Booth
Dr Vadim Surpin
Upload workflow by URL
Online Taverna
Taverna 3
Beta July 2013
Summary
• Taverna Suite for interactive and batch
workflows
• Flexible Plug-ins and Flexibly Plugged-in
• Themed Taverna
• Establishing Taverna Foundation
• We welcome collaboration/contribution
• http://www.taverna.org.uk
Learn more….
• myGrid
– http://www.mygrid.org.uk
• Taverna
– http://www.taverna.org.uk
• myExperiment
– http://www.myexperiment.org
• BioCatalogue
– http://www.biocatalogue.org
• Wf4ever
– http://www.wf4ever-project.org
• SCAPE
– http://www.scape-project.eu
• Software Sustainability Institute
– http://www.software.ac.uk
• BioVeL
– http://www.biovel.eu
• Virtual data objects
– Johan
• MOU
– Portals for BioVeL
– DCI platforms
• myExperiment – SHIWA repository
(execution)
– How can we interchange

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The Taverna Software Suite

  • 1. The Taverna Software Suite Prof Carole Goble FREng FBCS CITP The University of Manchester, UK carole.goble@manchester.ac.uk http://www.mygrid.org.uk http://www.taverna.org.uk
  • 2. The Taverna Suite of Tools Client User Interfaces User InterfacesWorkflow Repository Service Catalogue Third Party Tools Web Portals / Gateways Activity and Service Plug-in Manager Workflow Provenance Workflow Server Secure Service Access OAuth1 & 2, username/password, certificates. Workflow Engine Virtual Machine Prog APIs Command Line Player Workflow Components Workbench Taverna Lite Interaction Server
  • 3. VPH-Share Project Models of Human Physiology Eagle Genomics & NHS Next Generation Sequencing based Patient Diagnostics Astronomy & HelioPhysics Library Doc Preservation Systems Biology of Micro-Organisms OpenTox Project Chemistry Development Kit Drug Toxicity BioDiversity Invasive Species Modelling Metagenomics
  • 4. 5820 members, 304 groups, 2415 workflows, 604 files and 229 packs (research objects)
  • 6. 5820 members, 304 groups, 2415 workflows, 604 files and 229 packs (research objects)
  • 7. The Wf4Ever Components http://www.wf4ever-project.org Models Encoded in Standards Contributed to Standards Services Foundational, Extension, User APIs, Architecture Web protocols/services Policy and Planning Leveraging established protocols Preservation planning, policies Best workflow design practices Reference Systems Command line+ Third party systemsUser Driver
  • 8. The Research Object www.researchobjects.org Execution Platform
  • 9. Using and Making Standards Standard id for each component ORCID, DOI, URI OAI-ORE Structuring and Bundling descriptions and components. W3C Open Annotation Data Model (AO) Wf4Ever instrumental and hosting rollout meeting in Manchester Transferable annotations Structured and semantically tagged packs for exchange and for linking across repositories Semantic Web Encoding Aggregation Annotation Identit y ro Ontology
  • 10. Preservation Checklist Monitoring environment Metadata Completeness Release, not Publish Software release practice for workflows and scripts, services, data, articles, research objects Gamble, Zhao, Klyne, Goble. MIM: A Minimum Information Model Vocabulary and Framework for Scientific Linked Data, 8th IEEE e-Science 2012, Chicago, USA W3C PROV Repair record Preserved record of execution Gil, Miles, Belhajjame, Deus, Garijo, Klyne, Missier, Soiland-Reyes, Zednik. Primer for the PROV Provenance Model. World Wide Web Consortium (W3C). 2012. Belhajjame, Goble, Soiland-Reyes, De Roure. Fostering Scientific Workflow Preservation Through Discovery of Substitute Services. Proc 7th IEEE eScience 2011 Stockholm Sweden Schopf, Treating Data Like Software: A Case for Production Quality Data, JCDL 2012 minim wfprov roevo
  • 11. Preservation Model Experiment Descriptions Organise workflows into structured studies wfdesc Inputs, outputs, dependencies Workflow Decay Component, Data & Infrastructure unavailability or inaccessibility Taverna Components Experiment Decay Methodological changes New technologies, resources, components, data Workflow Motifs IEEE e-Science 2012 FGCS submission Best Practices SWAT4LS
  • 12. http://www.researchobject.org/ W3C Research Object for Scholarly Communication (ROSC) Community Group http://www.w3.org/community/rosc/
  • 13. Taverna Engine Execution • Scufl2 language • Functional dataflow, simple control flows, implicit iteration • Linking services and tools • Data movement, monitoring, staging, reference • “In Workflow Programming” Beanshell scripting • Provenance collection: W3C PROV(+) format • Plug-in Framework – Infrastructures: Grid, HPC, Web Services (SOAP, REST) – Domain: CDK, BioMart, VOTable, SADI – Common Tools: Excel Spreadsheets, Google Refine, R • OAuth security plug-in
  • 14. Taverna Pro-Workbench • Desktop application • GUI • Intermediate results views • Gateway to BioCatalogue and myExperiment • Plug-in Framework
  • 15. Workflow Blocks made of a workflow • Well described • Well behaved • Well looked after • Agreed fail • Agreed formats in and out • Agreed provenance Deposited in myExperiment Grouped into families Components
  • 16. Workflow Blocks made of a workflow • Well described • Well behaved • Well looked after • Agreed fail • Agreed formats in and out • Agreed provenance Deposited in myExperiment Grouped into families Components
  • 17. Workflow Blocks made of a workflow • Well described • Well behaved • Well looked after • Agreed fail • Agreed formats in and out • Agreed provenance Deposited in myExperiment Grouped into families Components
  • 18. Desktop Client http://www.xworx.org/ Data Centric Interface BIFI (Beautiful Interfaces for Inputs) Taverna Workbench Plug-in, GUI definition language
  • 19. Data services • Vanilla Taverna – Domain data type neutral • AstroTaverna plug-in – IVOA data services – VOTables • PyWPS plug-in – Exposes OGC-compliant Web Processing Services that can handle large data
  • 20. Taverna Server • Multiple clients, Multi-user • SOAP and REST API Server HostServer Host Taverna Server “Client” Taverna Server “Client” Taverna Server Front End Taverna Server Front End TavServ Back End TavServ Back End TavServ Back End TavServ Back End TavServ Back End TavServ Back End ServiceService ServiceService ServiceService
  • 21. Taverna Server Family • Taverna Server – Multiple clients, Multi-user – SOAP and REST API • Taverna Server Amazon Machine Image – Bundled R server, Atom feed server – Multiple instances in Amazon Cloud and as required, for multiple users/uses and different security scenarios • Taverna Virtual Machine • Taverna Command Line • Bundled Servers
  • 22. Calling DCI Grid/Cloud Services • Expose services/tools as WSDL/REST services – HELIO: Fixed host name – VPH-Share: Services running on dynamically started instances – SZTAKI Desktop Grid – BOINC/Debian Package • Specific service/extension to Taverna – UNICORE plugin: Ask grid what services are available, Include services in a workflow, Invoke services on the grid see talk by Shahbaz Memon • Library to control job submission to grid – PBS plugin: beanshells in a workflow include invocations of jobs – KnowARC plugin: Advanced Resource Connector to submit jobs to NorduGrid
  • 23. Web interface Input SNPs Results Storage (S3) Ensembl (mySQL) Cache (S3) Taverna Server Taverna Server Taverna Server Workflow engine orchestrator e-Hive other Taverna Application specific tools and Web Services Application specific tools and Web Services Application specific tools and Web Services WS WS ToolToolWS All user interaction via web interface User data stored in the Cloud Data for all tools and Web Services stored in the Cloud Unified access to different workflow engines with our common REST API Tools and Web Services for each workflow are installed together for easy replication Cloud Analytics for Life Sciences
  • 24.
  • 25. Tavoop—Taverna & Hadoop • Compiles Taverna Workflow to collection of Hadoop jobs • Designed for handling very large amounts of data – Overhead to using Hadoop, but wins if enough data – Data ingest (expensive step) must have already been done • Supports Taverna Platform Execution interface • Parallelisable service types • http://wiki.opf-labs.org/display/SP/PPL Hadoop ClusterHadoop Cluster Taverna Execution InterfaceTaverna Execution Interface Tavoop CompilerTavoop Compiler Portal (Taverna Player) Portal (Taverna Player) GUI Application (Workbench) GUI Application (Workbench)
  • 26. Interacting with a workflow • Many workflows need user interaction • A workflow on a server does not need to be “press a button and wait” – VPH-Share opens a VNC connection to the spawned instance. • Taverna Interaction Service – Users interact with a workflow (wherever it is running) in a web browser. – Interaction Service Plug-in in workbench
  • 28. Taverna Tool Spectrum Technical Computational Scientist Domain Scientist Workbench Workbench Components Lite Domain-Specific Website / Tool / Portal Workflow Visibility Concept KnowledgeTaverna Domain High Low Player Command Line
  • 29. Taverna Client Family • Java library / Ruby GEM • Run a Taverna workflow in another workflow system e.g. Galaxy tools • Command line • Simple Taverna “player” – Fixed workflow • Upload & run workflows and choose data – Universitat Pompeu Fabra’s “Soaplab MajorDomo” – Taverna Lite
  • 30. Taverna-Lite Generic Web-based Client Hide complexity Access to datasets Upload and interact with workflows Build Portal • Homepage • User-Sessions • Workflow Management • Run Management • Server Credentials Uses Components for simpler assembly and workflow edits
  • 31. Web apps to create and run workflows Service Chaining Editor Pete Walker et al Plymouth Marine Laboratory For chaining OGC Web Processing Service geospatial Web services
  • 32. Web apps to create and run workflows Online Taverna • Dr Vadim Surpin and Vitaly Sharanutsa • Institute for Information Transmission Problems of Russian Academy of Sciences (IITP RAS) An online, in-browser application for assembling and running Taverna Workflows over a HPC platform Software Sustainability Institute Booth Dr Vadim Surpin
  • 33. Upload workflow by URL Online Taverna
  • 35. Summary • Taverna Suite for interactive and batch workflows • Flexible Plug-ins and Flexibly Plugged-in • Themed Taverna • Establishing Taverna Foundation • We welcome collaboration/contribution • http://www.taverna.org.uk
  • 36. Learn more…. • myGrid – http://www.mygrid.org.uk • Taverna – http://www.taverna.org.uk • myExperiment – http://www.myexperiment.org • BioCatalogue – http://www.biocatalogue.org • Wf4ever – http://www.wf4ever-project.org • SCAPE – http://www.scape-project.eu • Software Sustainability Institute – http://www.software.ac.uk • BioVeL – http://www.biovel.eu
  • 37. • Virtual data objects – Johan • MOU – Portals for BioVeL – DCI platforms • myExperiment – SHIWA repository (execution) – How can we interchange

Editor's Notes

  1. Mature workflow platform – since 2004
  2. 880 unique IP addresses that called home for updates. In March
  3. http://www.myexperiment.org/packs/231.html EXECUTION ENVIRONMENT environment in – SHIWA portal So you can execute multiple applications. Rep Different views.
  4. http://www.myexperiment.org/packs/231.html
  5. SIOC and VoID
  6. HELIO and the interop - talk at EGI myExperiment doesn’t manage workflow engines or DCIs And only really supports Taverna Galaxy engie
  7. Identity URI for each component Aggregation OAI-ORE Bundling descriptions Annotation Annotation Ontology + OAC Release of the OAC model Wf4Ever instrumental and hosting rollout meeting in Manchester
  8. Context specific tabs Structured annotation Transferable annotations Structured and semantically tagged packs For exchange For linking across repositories
  9. Component level: - flux/decay/unavailability Data level: - formats/ids/standards Infrastructure level: - platform/resources Log Woodman, et al  Achieving Reproducibility by Combining Provenance with Service and Workflow Versioning. In: The 6th Workshop on Workflows in Support of Large-Scale Science. 2011, Seattle Track Versions and retractions Error propagation Contributions and credits Fix Workflow repair, alternate component discovery, Black box annotation ReRun and Replay Partial reproducibility: Replay some of the workflow A verifiable, reviewable trace in people terms Analyse Calculate data quality & trust, Decide what data to keep or release Compare to find differences and discrepancies Instrument systems and data that people actually use. The 95%. Attract people to use provenance-enabled systems Developer toolkits to make Useful Provenance Apps Layers, presentation, simplification, polishing for publication, tracking, repairing Multi-component provenance: Workflow + GoogleRefine + R + …Prov - language for exchanging provenance information among applications. http://www.w3.org/2011/prov/wiki/Main_Page Automated provenance-rich publications http://reproducibleresearch.org
  10. Infrastructures: Grid (UNICORE, caGrid), Supercomputing (PBS, OPAL), Web Services (SOAP, REST)
  11. They are specified by the url of an Html page (or php or whatever). When it is shown, the page is included inside a frame. The frame handles the getting and sending of data and also telling the engine that the interaction has finished. When the interaction page is loaded it makes a javascript call to the frame to get the input values. It then fills in the page and lets the user do the actual interacting. The interaction page can send values back by making javascript calls to the frame. The page can also fail or cancel the interaction.
  12. Java Library and ruby GEM - Talk to server’s REST API
  13. Open Geospatial Consortium
  14. The components of the architecture: An OSGi platform, with the Taverna Platform API implemented by Taverna Core  executes a workflow using the Taverna Engine uses Activity plugins for the different service types (WSDL, REST, Biomart, R scripts, command line tools, etc) also implemented by the Taverna Server client which uses the Java Client library to proxy running of a workflow on the Taverna Server The Taverna workbench to design and run workflows UI plugins for each service type executes workflows using the Taverna platform API The Taverna command line which executes workflows using the Taverna platform API A Taverna Server, which exposes the Taverna platform API as a REST API and SOAP API for executing workflows Taverna Player, which use the Ruby client library to execute workflows on the Taverna Server Taverna Lite, which also uses the Ruby client library to execute workflows, but also manage a repository of workflows and allow user interactions. The OSGi framework (OSGi being an acronym for "Open Services Gateway initiative") is a module system and service platform for the Java programming language that implements a complete and dynamic component model, something that does not exist in standalone Java/VM environments. Applications or components (coming in the form of bundles for deployment) can be remotely installed, started, stopped, updated, and uninstalled without requiring a reboot; management of Java packages/classes is specified in great detail. Application life cycle management (start, stop, install, etc.) is done via APIs that allow for remote downloading of management policies. The service registry allows bundles to detect the addition of new services, or the removal of services, and adapt accordingly. The OSGi specifications have moved beyond the original focus of service gateways, and are now used in applications ranging from mobile phones to the open source Eclipse IDE. Other application areas include automobiles, industrial automation, building automation, PDAs, grid computing, entertainment, fleet management and application servers.