Advancing Computational Workflow Sharing in Earth Science: Insights from DT-GEO and Geo-INQUIRE

The increasing complexity and volume of data in Solid Earth Science necessitate robust solutions for workflow representation, sharing, and reproducibility. Within the DT-GEO (https://dtgeo.eu/) project, we addressed the challenge of creating interoperable and discoverable representations of computational workflows to facilitate data reuse and collaboration. Leveraging the EPOS Platform (https://www.epos-eu.org/), a multidisciplinary research infrastructure focused on Solid Earth Science, we aimed to expose workflows, datasets, and software to the community while adhering to the FAIR (Findable, Accessible, Interoperable, and Reusable) principles. While the EPOS-DCAT-AP (https://github.com/epos-eu/EPOS-DCAT-AP) model, already used in EPOS, can effectively represent datasets and software, it lacks direct support for computational workflows, necessitating the adoption of alternative standards.

To overcome this limitation, we employed the Common Workflow Language (CWL, https://www.commonwl.org/) to describe workflows, capturing their structure, software, datasets, and dependencies. The developed CWL representations are "abstract" focusing on general workflow structures while omitting execution-specific details to prioritize interoperability. To package these workflows along with metadata, we utilized Workflow Run Crate, an extension of the RO-Crate (https://www.researchobject.org/ro-crate/) standard. Together, these technologies enable workflows to become self-contained entities, simplifying sharing and reuse. 

This approach not only aligns with community standards but also benefits from a mature ecosystem of tools and libraries, ensuring seamless integration and widespread applicability. Initial implementations within the DT-GEO project serve as a model for adoption in related initiatives such as Geo-INQUIRE (https://www.geo-inquire.eu/), where similar methodologies are being used to share workflows derived from the Simulation Data Lake (SDL) infrastructure. These implementations pave the way for broader integration within the EPOS Platform, enhancing access to advanced workflows across disciplines.

Our contribution highlights the value of adopting standardized tools and methodologies for workflow management in Solid Earth Science, showcasing how CWL and RO-Crate streamline interoperability and foster collaboration. These advances address challenges in data and computational management, contributing to the scalable FAIR workflows essential for tackling the complexities of Solid Earth Science. Moving forward, the integration of these standards across projects like DT-GEO and Geo-INQUIRE will further enhance the EPOS Platform's capabilities, offering a unified gateway to reproducible, secure, and trustworthy workflows that meet the evolving needs of the scientific community.