Published September 19, 2024
| Version release-0.9.1
Software
Open
Becksteinlab/GromacsWrapper: release 0.9.1
Creators
- 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
Related works
- Is supplement to
- Software: https://github.com/Becksteinlab/GromacsWrapper/tree/release-0.9.1 (URL)