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f90wrap : an automated tool for constructing deep Python interfaces to modern Fortran codes

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Kermode, James R. (2020) f90wrap : an automated tool for constructing deep Python interfaces to modern Fortran codes. Journal of Physics: Condensed Matter, 32 (30). 305901. doi:10.1088/1361-648x/ab82d2

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Official URL: https://doi.org/10.1088/1361-648x/ab82d2

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Abstract

Abstract: f90wrap is a tool to automatically generate Python extension modules which interface to Fortran libraries that makes use of derived types. It builds on the capabilities of the popular f2py utility by generating a simpler Fortran 90 interface to the original Fortran code which is then suitable for wrapping with f2py, together with a higher-level Pythonic wrapper that makes the existance of an additional layer transparent to the final user. f90wrap has been used to wrap a number of large software packages of relevance to the condensed matter physics community, including the QUIP molecular dynamics code and the CASTEP density functional theory code.

Item Type: Journal Article
Subjects: Q Science > QA Mathematics > QA76 Electronic computers. Computer science. Computer software
T Technology > TK Electrical engineering. Electronics Nuclear engineering
Divisions: Faculty of Science > Engineering
SWORD Depositor: Library Publications Router
Library of Congress Subject Headings (LCSH): FORTRAN (Computer program language), Python (Computer program language), Internetworking (Telecommunication), Application program interfaces (Computer software)
Journal or Publication Title: Journal of Physics: Condensed Matter
Publisher: IOP Publishing
ISSN: 1361-648X
Official Date: 5 May 2020
Dates:
DateEvent
5 May 2020Published
24 March 2020Available
24 March 2020Accepted
Date of first compliant deposit: 2 June 2020
Volume: 32
Number: 30
Article Number: 305901
DOI: 10.1088/1361-648x/ab82d2
Status: Peer Reviewed
Publication Status: Published
Publisher Statement: ** From IOP Publishing via Jisc Publications Router ** History: received 03-01-2020; rev-recd 09-03-2020; accepted 24-03-2020; epub 05-05-2020; open-access 05-05-2020; ppub 15-07-2020. ** Licence for this article: https://creativecommons.org/licenses/by/4.0/
Access rights to Published version: Open Access
Copyright Holders: © 2020 IOP Publishing Ltd
RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
EP/P002188/1[EPSRC] Engineering and Physical Sciences Research Councilhttp://dx.doi.org/10.13039/501100000266
EP/L014742/1[EPSRC] Engineering and Physical Sciences Research Councilhttp://dx.doi.org/10.13039/501100000266
EP/J022055/1 [EPSRC] Engineering and Physical Sciences Research Councilhttp://dx.doi.org/10.13039/501100000266
EP/R043612/1[EPSRC] Engineering and Physical Sciences Research Councilhttp://dx.doi.org/10.13039/501100000266
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