Project deliverable Open Access

BioExcel Deliverable D1.5 - Final project release of pilot applications

Abraham, Mark; Ippoliti, Emiliano; Trellet, Mikael; Bonvin, Alexandre; Gapsys, Vytautas; de Groot, Bert; Soiland-Reyes, Stian

This document describes the contents of the final project release of software developed for pilot applications in BioExcel. The efforts of Work Package 1 are spread over the entire project timeframe, and some collaborations, previous deployments and benchmarks have also used preliminary new code. However, to provide reference versions of all codes used in the project (e.g. to integrate them in BioExcel workflows and facilitate use by other BioExcel teams), the Work Package also makes these formal code releases. This also comes with records describing the current status of the software that results from the planning, development, documentation, and testing processes described in Deliverable 1.1 (10.5281/zenodo.263908) and the BioExcel white paper on scientific software engineering (10.5281/zenodo.1194634). The release itself takes the form of a package of Open Source-licensed source code, containing the newly developed task-parallel and throughput-oriented modules, and can be downloaded from the BioExcel webpage at, or from the permanent repository at (10.5281/zenodo.1473685). For most of the codes this is a BioExcel- specific repository to sync the releases with other project needs, while general users are usually recommended to follow the documentation, download and installation instructions available on the main application web pages. This release updates the previous project release reported in Deliverable 1.2 (10.5281/zenodo.574459).

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