Software Open Access

MDAnalysis/GridDataFormats: Release 1.0.1

Oliver Beckstein; Max Linke; Irfan Alibay; Giacomo Fiorin; Lily Wang; Eloy Félix; Jan Domański; Josh Vermaas; ReneHamburger1993; Richard Gowers; Zhiyi Wu; rathann; tluchko

The 1.0.1 release fixes installation requirements and ensures that the package can only be installed under compatible versions of Python and numpy (following NEP 29). Everything else is exactly as for Release 1.0.0.

Conda packages are only created for 1.0.1 so the 1.0.0 release notes are repeated here:

Release 1.0.0 (applies to 1.0.1, too)

First API-stable release of GridDataFormats. Following semantic versioning, backwards incompatible changes will only be made in release 2.0.0.

The release has the same functionality as 0.7.0 except that the deprecated ccp4 module was removed; ccp4/mrc files are read with a more robust wrapper around the mrcfile library.

Highlights
  • API stable (mature)
  • Python 3.8+ only
  • follows NEP29

See CHANGELOG for details.

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MDAnalysis/GridDataFormats-1.0.1.zip
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