From 0c44073b031c5559d14c0a74d0d47c04a5059827 Mon Sep 17 00:00:00 2001 From: rsirvent Date: Tue, 3 Mar 2026 10:54:25 +0100 Subject: [PATCH 1/2] Updates on COMPSs use case --- docs/pages/use_cases/COMPSs.md | 30 +++++++++++++++++++----------- 1 file changed, 19 insertions(+), 11 deletions(-) diff --git a/docs/pages/use_cases/COMPSs.md b/docs/pages/use_cases/COMPSs.md index 094cc0f6..ff5802f3 100644 --- a/docs/pages/use_cases/COMPSs.md +++ b/docs/pages/use_cases/COMPSs.md @@ -31,11 +31,13 @@ roles: [information_architect, researcher, software_developer] # should match it COMP Superscalar ([COMPSs](https://compss.bsc.es/)) is a task-based programming model which aims to ease the development of applications for distributed infrastructures, such as large High-Performance Clusters (HPC), Clouds and Container managed clusters. PyCOMPSs is the Python binding of COMPSs. -COMPSs provides a programming interface for the development of applications in Python/Java/C/C++, a runtime system that exploits the inherent parallelism of applications at execution time, and a rich ecosystem for the operation, monitoring, performance evaluation and integration with Jupyter/Jupyterlab. +COMPSs provides a programming interface for the development of applications in Python/Java/C/C++/R, a runtime system that exploits the inherent parallelism of applications at execution time, and a rich ecosystem for the operation, monitoring, performance evaluation and integration with Jupyter/Jupyterlab. -The COMPSs runtime includes the capacity of automatically recording details of the application’s execution as metadata, also known as [Workflow Provenance](https://compss-doc.readthedocs.io/en/stable/Sections/05_Tools/04_Workflow_Provenance.html). The metadata is recorded in RO-Crate format, following [Workflow RO-Crate](https://w3id.org/workflowhub/workflow-ro-crate/1.0) and [Workflow Run Crate](https://www.researchobject.org/workflow-run-crate/) profiles. With workflow provenance, you are able to share not only your workflow application (i.e. the source code) but also your workflow run (i.e. the datasets used as inputs, and the outputs generated as results). +The COMPSs runtime includes the capacity of automatically recording details of the application’s execution as metadata, also known as [Workflow Provenance](https://compss-doc.readthedocs.io/en/stable/Sections/04_Ecosystem/05_Workflow_Provenance.html). The metadata is recorded in RO-Crate format, following [Workflow RO-Crate](https://w3id.org/workflowhub/workflow-ro-crate/1.0) and [Workflow Run RO-Crate](https://www.researchobject.org/workflow-run-crate/) profile collection. With workflow provenance, you are able to share not only your workflow application (i.e. the source code) but also your workflow run (i.e. the datasets used as inputs, the outputs generated as results, and rich information about every single task executed). -Provenance information can be useful for a number of things, including Governance, Reproducibility, Replicability, Traceability, or Knowledge Extraction, among others. In our case, we have initially targeted workflow provenance recording to enable users to publish research results obtained with COMPSs as artifacts that can be cited in scientific publications with their corresponding DOI, by using [WorkflowHub](https://workflowhub.eu/). Both workflow provenance metadata and its publication in WorkflowHub enable the reproducibility of the workflows. +Provenance information can be useful for a number of things, including Governance, Reproducibility, Replicability, Traceability, or Knowledge Extraction, among others. Workflow Provenance enables users to publish research results obtained with COMPSs as artifacts that can be cited in scientific publications with their corresponding DOI, by using [WorkflowHub](https://workflowhub.eu/) or [Zenodo](https://zenodo.org/) using the [RO-Crate InvenioRDM Deposit library](https://github.com/ResearchObject/ro-crate-inveniordm). Both workflow provenance metadata and its publication in WorkflowHub/Zenodo enable the reproducibility of the workflows. + +We have also developed a 'inspect' option in the [PyCOMPSs CLI](https://pypi.org/project/pycompss-cli/) that allows to visualise in a friendly way not only COMPSs generated crates but also the ones generated from different WMSs that follow the Workflow related RO-Crate profiles. This means 'pycompss inspect' is interoperable at least with crates generated with: CWL, nextflow, Galaxy, Autosubmit, WfExS, Streamflow, Snakemake and Sapporo. ![COMPSs with RO-Crate](assets/img/COMPSs-screenshot.png) @@ -43,7 +45,7 @@ Provenance information can be useful for a number of things, including Governanc Plenty of examples of COMPSs Workflows with enabled provenance recording can be found at [WorkflowHub](https://workflowhub.eu/workflows?filter%5Bworkflow_type%5D=pycompss) (filtering the browsing by 'COMPSs' workflow type). -In addition, the COMPSs User Manual has a dedicated section on [how to generate Workflow Provenance with COMPSs](https://compss-doc.readthedocs.io/en/stable/Sections/05_Tools/04_Workflow_Provenance.html). +In addition, the COMPSs User Manual has a dedicated section on [how to generate Workflow Provenance with COMPSs](https://compss-doc.readthedocs.io/en/stable/Sections/04_Ecosystem/05_Workflow_Provenance.html). ## Resources @@ -51,18 +53,24 @@ In addition, the COMPSs User Manual has a dedicated section on [how to generate * [COMPSs documentation](https://compss-doc.readthedocs.io/en/stable/) * [Workflow Provenance Slides Quick Overview](https://zenodo.org/records/11057731) * [Workflow Provenance Detailed Slides](https://zenodo.org/records/10046567) +* [RO-Crate InvenioRDM Deposit library](https://github.com/ResearchObject/ro-crate-inveniordm) +* [PyCOMPSs CLI](https://pypi.org/project/pycompss-cli/) ## Publications -Raül Sirvent, Javier Conejero, Francesc Lordan, Jorge Ejarque, Laura Rodríguez-Navas, José M Fernández, Salvador Capella-Gutiérrez, Rosa M Badia (2022): -**Automatic, Efficient and Scalable Provenance Registration for FAIR HPC Workflows**. -_IEEE/ACM Workshop on Workflows in Support of Large-Scale Science (WORKS)_ (1-9) - -[[preprint](https://upcommons.upc.edu/handle/2117/384589)] +Panna Lukács, Rosa M. Badia, Raül Sirvent: +**Explaining AI Applications through Workflow Provenance**. +_Master Thesis, Universitat Politècnica de Catalunya, 2025_ + -Leo, S., Crusoe, M. R., Rodríguez-Navas, L., Sirvent, R., Kanitz, A., De Geest, P., ... & Soiland-Reyes, S. (2024): +Leo, S., Crusoe, M. R., Rodríguez-Navas, L., Sirvent, R., Kanitz, A., De Geest, P., ... & Soiland-Reyes, S.: **Recording provenance of workflow runs with RO-Crate**. -_PLoS ONE 19(9): e0309210._ +_PLoS ONE 19(9): e0309210. 2024_ +Raül Sirvent, Javier Conejero, Francesc Lordan, Jorge Ejarque, Laura Rodríguez-Navas, José M Fernández, Salvador Capella-Gutiérrez, Rosa M Badia: +**Automatic, Efficient and Scalable Provenance Registration for FAIR HPC Workflows**. +_IEEE/ACM Workshop on Workflows in Support of Large-Scale Science (WORKS) 2022_ (1-9) + +[[preprint](https://upcommons.upc.edu/handle/2117/384589)] From 795e15729b4d363f1d88205872e8f6e28aa237f2 Mon Sep 17 00:00:00 2001 From: rsirvent Date: Tue, 3 Mar 2026 11:54:21 +0100 Subject: [PATCH 2/2] Added PyCOMPSs CLI as an RO-Crate visualisation general tool --- docs/_data/tools_list.yml | 9 +++++++++ 1 file changed, 9 insertions(+) diff --git a/docs/_data/tools_list.yml b/docs/_data/tools_list.yml index 1e203b45..69bfc974 100644 --- a/docs/_data/tools_list.yml +++ b/docs/_data/tools_list.yml @@ -327,3 +327,12 @@ description: A modern, interactive web application for exploring and visualizing RO-Crates, built with Vue 3. url: https://github.com/arunaengine/RO-Crate-Explorer status: + +- name: PyCOMPSs CLI + description: Quick and friendly visualisation of RO-Crates from the Command Line Interface with the 'inspect' option. Compatible with Workflow and Workflow Run RO-Crate profiles. + status: production + level: + url: https://pypi.org/project/pycompss-cli/ + subitems: + - name: Documentation + url: https://compss-doc.readthedocs.io/en/stable/Sections/04_Ecosystem/09_CLI/02_Usage.html#inspect-workflow-provenance