Submission to JOSS

.github/workflows/joss.yml

@@ -0,0 +1,24 @@
+name: JOSS Draft
+on: [push]
+
+jobs:
+  paper:
+    runs-on: ubuntu-latest
+    name: Paper Draft
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v4
+      - name: Build draft PDF
+        uses: openjournals/openjournals-draft-action@master
+        with:
+          journal: joss
+          # This should be the path to the paper within your repo.
+          paper-path: docs/paper/paper.md
+      - name: Upload
+        uses: actions/upload-artifact@v4
+        with:
+          name: paper
+          # This is the output path where Pandoc will write the compiled
+          # PDF. Note, this should be the same directory as the input
+          # paper.md
+          path: docs/paper/paper.pdf

docs/paper/paper.bib

@@ -0,0 +1,148 @@
+@inproceedings{workflows,
+    author = {da Silva, Rafael Ferreira and Casanova, Henri and Chard, Kyle and Altintas, Ilkay and Badia, Rosa M and Balis, Bartosz and Coleman, Taina and Coppens, Frederik and Di Natale, Frank and Enders, Bjoern and Fahringer, Thomas and Filgueira, Rosa and Fursin, Grigori and Garijo, Daniel and Goble, Carole and Howell, Dorran and Jha, Shantenu and Katz, Daniel S. and Laney, Daniel and Leser, Ulf and Malawski, Maciej and Mehta, Kshitij and Pottier, Loic and Ozik, Jonathan and Peterson, J. Luc and Ramakrishnan, Lavanya and Soiland-Reyes, Stian and Thain, Douglas and Wolf, Matthew},
+    booktitle = {2021 IEEE Workshop on Workflows in Support of Large-Scale Science (WORKS)},
+    title = {A Community Roadmap for Scientific Workflows Research and Development},
+    year = {2021},
+    pages = {81-90},
+    doi = {10.1109/WORKS54523.2021.00016}, 
+    publisher = {IEEE Computer Society},
+    address = {Los Alamitos, CA, USA}
+}
+
+@inproceedings{pythonhpc,
+    author={Straßel, Dominik and Reusch, Philipp and Keuper, Janis},
+    booktitle={2020 IEEE/ACM 9th Workshop on Python for High-Performance and Scientific Computing (PyHPC)}, 
+    title={Python Workflows on HPC Systems}, 
+    year={2020},
+    pages={32-40},
+    doi={10.1109/PyHPC51966.2020.00009}
+}
+
+@inproceedings{slurm,
+    author = {Morris A. Jette and Andy B. Yoo and Mark Grondona},
+    title = {SLURM: Simple Linux Utility for Resource Management},
+    booktitle = {In Lecture Notes in Computer Science: Proceedings of Job Scheduling Strategies for Parallel Processing ({JSSPP}) 2003},
+    year = {2002},
+    pages = {44--60},
+    publisher = {Springer-Verlag},
+    doi = {10.1007/10968987_3}
+}
+
+@article{fireworks,
+    author = {Jain, Anubhav and Ong, Shyue Ping and Chen, Wei and Medasani, Bharat and Qu, Xiaohui and Kocher, Michael and Brafman, Miriam and Petretto, Guido and Rignanese, Gian-Marco and Hautier, Geoffroy and Gunter, Daniel and Persson, Kristin A.},
+    title = {FireWorks: a dynamic workflow system designed for high-throughput applications},
+    journal = {Concurrency and Computation: Practice and Experience},
+    volume = {27},
+    number = {17},
+    pages = {5037-5059},
+    doi = {10.1002/cpe.3505},
+    year = {2015}
+}
+
+@article{aiida,
+    author = {Huber, Sebastiaan P. and Zoupanos, Spyros and Uhrin, Martin and Talirz, Leopold and Kahle, Leonid and Häuselmann, Rico and Gresch, Dominik and Müller, Tiziano and Yakutovich, Aliaksandr V. and Andersen, Casper W. Ramirez, Francisco F. and Adorf, Carl S. and Gargiulo, Fernando and Kumbhar, Snehal and Passaro, Elsa and Johnston, Conrad and Merkys, Andrius and Cepellotti, Andrea and Mounet, Nicolas and Marzari, Nicola and Kozinsky, Boris and Pizzi, Giovanni},
+    year = {2020},
+    title = {AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance}, 
+    journal = {Scientific Data},
+    volume = {7},
+    number = {1},  
+    doi = {10.1038/s41597-020-00638-4}
+}
+
+@article{pyiron,
+    title = {pyiron: An integrated development environment for computational materials science},
+    journal = {Computational Materials Science},
+    volume = {163},
+    pages = {24-36},
+    year = {2019},
+    issn = {0927-0256},
+    doi = {10.1016/j.commatsci.2018.07.043},
+    url = {https://www.sciencedirect.com/science/article/pii/S0927025618304786},
+    author = {Jan Janssen and Sudarsan Surendralal and Yury Lysogorskiy and Mira Todorova and Tilmann Hickel and Ralf Drautz and Jörg Neugebauer}
+}
+
+@article{myqueue, 
+    doi = {10.21105/joss.01844}, 
+    url = {https://doi.org/10.21105/joss.01844}, 
+    year = {2020}, 
+    publisher = {The Open Journal}, 
+    volume = {5}, 
+    number = {45}, 
+    pages = {1844}, 
+    author = {Jens Jørgen Mortensen and Morten Gjerding and Kristian Sommer Thygesen}, 
+    title = {MyQueue: Task and workflow scheduling system}, 
+    journal = {Journal of Open Source Software}
+}
+
+@inproceedings{psij,
+    author = {Hategan-Marandiuc, Mihael and Merzky, Andre and Collier, Nicholson and Maheshwari, Ketan and Ozik, Jonathan and Turilli, Matteo and Wilke, Andreas and Wozniak, Justin M. and Chard, Kyle and Foster, Ian and da Silva, Rafael Ferreira and Jha, Shantenu and Laney, Daniel},
+    booktitle = {2023 IEEE 19th International Conference on e-Science (e-Science)}, 
+    title = {PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs}, 
+    year = {2023},
+    volume = {},
+    number = {},
+    pages = {1-10},
+    doi = {10.1109/e-Science58273.2023.10254912}
+}
+
+@inproceedings{dask,
+    author = {Matthew Rocklin},
+    title = {Dask: Parallel Computation with Blocked algorithms and Task Scheduling},
+    booktitle = {Proceedings of the 14th Python in Science Conference},
+    pages = {130 - 136},
+    year = {2015},
+    editor = {Kathryn Huff and James Bergstra}
+}
+
+@inproceedings{parsl, 
+    author = {Babuji, Yadu and Woodard, Anna and Li, Zhuozhao and Katz, Daniel S. and Clifford, Ben and Kumar, Rohan and Lacinski, Lukasz and Chard, Ryan and Wozniak, Justin M. and Foster, Ian and Wilde, Michael and Chard, Kyle}, 
+    title = {Parsl: Pervasive Parallel Programming in Python}, 
+    year = {2019}, 
+    isbn = {9781450366700}, 
+    publisher = {Association for Computing Machinery}, 
+    address = {New York, NY, USA}, 
+    url = {https://doi.org/10.1145/3307681.3325400}, 
+    doi = {10.1145/3307681.3325400}, 
+    booktitle = {Proceedings of the 28th International Symposium on High-Performance Parallel and Distributed Computing}, 
+    pages = {25–36}, 
+    numpages = {12},
+    location = {Phoenix, AZ, USA}, 
+    series = {HPDC '19} 
+}
+
+@article{jobflow, 
+    doi = {10.21105/joss.05995}, 
+    url = {https://doi.org/10.21105/joss.05995}, 
+    year = {2024}, 
+    publisher = {The Open Journal}, 
+    volume = {9}, 
+    number = {93}, 
+    pages = {5995}, 
+    author = {Andrew S. Rosen and Max Gallant and Janine George and Janosh Riebesell and Hrushikesh Sahasrabuddhe and Jimmy-Xuan Shen and Mingjian Wen and Matthew L. Evans and Guido Petretto and David Waroquiers and Gian-Marco Rignanese and Kristin A. Persson and Anubhav Jain and Alex M. Ganose}, 
+    title = {Jobflow: Computational Workflows Made Simple}, 
+    journal = {Journal of Open Source Software}
+}
+
+@inproceedings{flux,
+    author = {Ahn, Dong H. and Garlick, Jim and Grondona, Mark and Lipari, Don and Springmeyer, Becky and Schulz, Martin},
+    booktitle = {2014 43rd International Conference on Parallel Processing Workshops}, 
+    title = {Flux: A Next-Generation Resource Management Framework for Large HPC Centers}, 
+    year = {2014},
+    volume = {},
+    number = {},
+    pages = {9-17},
+    doi = {10.1109/ICPPW.2014.15}
+}
+
+@article{mpi4py,
+    title = {MPI for Python},
+    journal = {Journal of Parallel and Distributed Computing},
+    volume = {65},
+    number = {9},
+    pages = {1108-1115},
+    year = {2005},
+    issn = {0743-7315},
+    doi = {10.1016/j.jpdc.2005.03.010},
+    url = {https://www.sciencedirect.com/science/article/pii/S0743731505000560},
+    author = {Lisandro Dalcín and Rodrigo Paz and Mario Storti}
+}