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BAND SDK v0.2 Community Policy Compatibility for jitr

This document summarizes the efforts of current and future BAND member packages to achieve compatibility with the BAND SDK community policies. Additional details on the BAND SDK are available here and should be considered when filling out this form. The most recent copy of this template exists here.

This file should filled out and placed in the directory in the bandframework repository representing the software name appended by bandsdk. For example, if you have a software foo, the compatibility file should be named foobandsdk.md and placed in the directory housing the software in the bandframework repository. No open source code can be included without this file.

All code included in this repository will be open source. If a piece of code does not contain a open-source LICENSE file as mentioned in the requirements below, then it will be automatically licensed as described in the LICENSE file in the root directory of the bandframework repository.

Please provide information on your compatibility status for each mandatory policy and, if possible, also for recommended policies. If you are not compatible, state what is lacking and what are your plans on how to achieve compliance. For current BAND SDK packages: If you were not fully compatible at some point, please describe the steps you undertook to fulfill the policy. This information will be helpful for future BAND member packages.

To suggest changes to these requirements or obtain more information, please contact BAND.

Details on citing the current version of the BAND Framework can be found in the README.

Website: github.com/beykyle/jitr, pypi.org/project/jitr/ Contact: beyerk@frib.msu.edu Description: Just-in-time-compiled solver for the Shrödinger equation using the calculable R-Matrix method on a Lagrange-Legendre mesh

Mandatory Policies

BAND SDK

# Policy Support Notes
1. Support BAND community GNU Autoconf, CMake, or other build options. Full jitr is a Python package and provides a pyproject.toml file for installation, using the common setuptools backend. This is compatible with the pip installer. GNU Autoconf or CMake are unsuitable for a Python package.
2. Have a README file in the top directory that states a specific set of testing procedures for a user to verify the software was installed and run correctly. Full README explains full test procedure.
3. Provide a documented, reliable way to contact the development team. Full The jitr team can be contacted through the public issues page on GitHub or via an e-mail to the jitr team.
4. Come with an open-source license Full Uses 3-clause BSD license.
5. Provide a runtime API to return the current version number of the software. Full The version can be returned within Python via: jitr.__version__.
6. Provide a BAND team-accessible repository. Full https://github.com/beykyle/jitr
7. Must allow installing, building, and linking against an outside copy of all imported software that is externally developed and maintained . Full jitr does not contain any other package's source code within. Dependencies are listed in requirements.txt
8. Have no hardwired print or IO statements that cannot be turned off. Full

Recommended Policies

# Policy Support Notes
R1. Have a public repository. Full https://github.com/beykyle/jitr
R2. Free all system resources acquired as soon as they are no longer needed. Full
R3. Provide a mechanism to export ordered list of library dependencies. Full Dependencies are listed in requirements.txt
R4. Document versions of packages that it works with or depends upon, preferably in machine-readable form. Full
R5. Have SUPPORT, LICENSE, and CHANGELOG files in top directory. Full
R6. Have sufficient documentation to support use and further development. Full jitr has examples in examples/
R7. Be buildable using 64-bit pointers; 32-bit is optional. Full Package supports both 32 and 64 bit under same API.
R8. Do not assume a full MPI communicator; allow for user-provided MPI communicator. N/a
R9. Use a limited and well-defined name space (e.g., symbol, macro, library, include). Full jitr uses the jitr namespace
R10. Give best effort at portability to key architectures. Full jitr is tested on a variety of architectures as part of its continuous integration via github actions
R11. Install headers and libraries under <prefix>/include and <prefix>/lib, respectively. Full The standard Python installation is used for Python dependencies. This installs external Python packages under <install-prefix>/lib/python<X.Y>/site-packages/.
R12. All BAND compatibility changes should be sustainable. Full
R13. Respect system resources and settings made by other previously called packages. Full jitr does not modify system resources or settings.
R14. Provide a comprehensive test suite for correctness of installation verification. Full tests live in test/ and are run via pytest