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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
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 | |||||||||||||||
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| Subjects: | Q Science > QA Mathematics > QA76 Electronic computers. Computer science. Computer software T Technology > TK Electrical engineering. Electronics Nuclear engineering |
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| 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: |
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| 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: |
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