Published September 19, 2024 | Version release-0.9.1
Software Open

Becksteinlab/GromacsWrapper: release 0.9.1

  • 1. Arizona State University
  • 2. University of Rochester//FutureHouse
  • 3. Datryllic LLC
  • 4. Boston University
  • 5. CHARM-Tx
  • 6. QuantifiedCode
  • 7. Princeton
  • 8. Rutgers University
  • 9. Harvard, USA

Description

Patch-level releases with fixes only.

What's Changed

  • fix "DeprecationWarning: invalid escape sequence '\s'" by @orbeckst in https://github.com/Becksteinlab/GromacsWrapper/pull/286
  • use importlib.resources instead of pkg_resources by @orbeckst in https://github.com/Becksteinlab/GromacsWrapper/pull/284
  • replaced numpy.NAN,INF with numpy.nan,inf by @orbeckst in https://github.com/Becksteinlab/GromacsWrapper/pull/292
  • configure codecov by @orbeckst in https://github.com/Becksteinlab/GromacsWrapper/pull/293
  • some more regex string fixes; and: use numpy.nan instead of numpy.NAN by @hsk17 in https://github.com/Becksteinlab/GromacsWrapper/pull/288
  • add automated deployment workflow by @orbeckst in https://github.com/Becksteinlab/GromacsWrapper/pull/296

New Contributors

  • @hsk17 made their first contribution in https://github.com/Becksteinlab/GromacsWrapper/pull/288

Full Changelog: https://github.com/Becksteinlab/GromacsWrapper/compare/release-0.9.0...release-0.9.1

Files

Becksteinlab/GromacsWrapper-release-0.9.1.zip

Files (2.0 MB)

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Additional details

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