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fixed deprecation warning from pandas #1165

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@Iximiel Iximiel commented Dec 17, 2024

Description

I am working on some (small) modifications on the python package, while running the tests I found that the python module uses delim_whitespace that is deprecated from pandas2.20, (see the manual)

I used the suggested sep="\s+" option, which should be backward-compatible also with older pandas versions

Target release

I would like my code to appear in release 2.11 (or before?)

Type of contribution
  • changes to code or doc authored by PLUMED developers, or additions of code in the core or within the default modules
  • changes to a module not authored by you
  • new module contribution or edit of a module authored by you
Copyright
  • I agree to transfer the copyright of the code I have written to the PLUMED developers or to the author of the code I am modifying.
  • the module I added or modified contains a COPYRIGHT file with the correct license information. Code should be released under an open source license. I also used the command cd src && ./header.sh mymodulename in order to make sure the headers of the module are correct.
Tests
  • I added a new regtest or modified an existing regtest to validate my changes.
  • I verified that all regtests are passed successfully on GitHub Actions.

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