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17 changes: 9 additions & 8 deletions package/CHANGELOG
Original file line number Diff line number Diff line change
Expand Up @@ -14,29 +14,32 @@ The rules for this file:


-------------------------------------------------------------------------------
??/??/?? IAlibay, ChiahsinChu, RMeli, tanishy7777, talagayev, tylerjereddy,
03/11/25 IAlibay, ChiahsinChu, RMeli, tanishy7777, talagayev, tylerjereddy,
marinegor, hmacdope, jauy123, al42and

* 2.9.0

Fixes
* Add support for TPR files produced by GROMACS 2024.4 and GROMACS 2025.0
* Fixes invalid default unit from Angstrom to Angstrom^{-3} for convert_density() function. (Issue #4829)
* Fixes deprecation warning Array to scalar convertion. Replaced atan2() with np.arctan2() (Issue #4339)
* Fixes invalid default unit from Angstrom to Angstrom^{-3} for
convert_density() function. (Issue #4829)
* Fixes deprecation warning Array to scalar convertion. Replaced atan2()
with np.arctan2() (Issue #4339)
* Replaced mutable defaults with None and initialized them within
the function to prevent shared state. (Issue #4655)

Enhancements
* Improve distopia backend support in line with new functionality available
in distopia >= 0.3.1 (PR #4734)
* Addition of 'water' token for water selection (Issue #4839)
* Enables parallelization for analysis.density.DensityAnalysis (Issue #4677, PR #4729)
* Enables parallelization for analysis.density.DensityAnalysis
(Issue #4677, PR #4729)
* Enables parallelization for analysis.contacts.Contacts (Issue #4660)
* Enable parallelization for analysis.nucleicacids.NucPairDist (Issue #4670)
* Add check and warning for empty (all zero) coordinates in RDKit converter (PR #4824)
* Add check and warning for empty (all zero) coordinates in RDKit converter
(PR #4824)
* Added `precision` for XYZWriter (Issue #4775, PR #4771)


Changes
* MDAnalysis.analysis.psa, MDAnalysis.analysis.waterdynamics and
MDAnalysis.analysis.hole2 are now no longer available by default in
Expand All @@ -46,8 +49,6 @@ Changes
* Changed `fasteners` dependency to `filelock` (Issue #4797, PR #4800)
* Codebase is now formatted with black (version `24`) (PR #4886)

Deprecations


11/11/24 IAlibay, HeetVekariya, marinegor, lilyminium, RMeli,
ljwoods2, aditya292002, pstaerk, PicoCentauri, BFedder,
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2 changes: 1 addition & 1 deletion package/MDAnalysis/version.py
Original file line number Diff line number Diff line change
Expand Up @@ -67,4 +67,4 @@
# e.g. with lib.log

#: Release of MDAnalysis as a string, using `semantic versioning`_.
__version__ = "2.9.0-dev0" # NOTE: keep in sync with RELEASE in setup.py
__version__ = "2.9.0" # NOTE: keep in sync with RELEASE in setup.py
2 changes: 1 addition & 1 deletion package/setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -58,7 +58,7 @@
from subprocess import getoutput

# NOTE: keep in sync with MDAnalysis.__version__ in version.py
RELEASE = "2.9.0-dev0"
RELEASE = "2.9.0"

is_release = "dev" not in RELEASE

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2 changes: 1 addition & 1 deletion testsuite/MDAnalysisTests/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -97,7 +97,7 @@
logger = logging.getLogger("MDAnalysisTests.__init__")

# keep in sync with RELEASE in setup.py
__version__ = "2.9.0-dev0"
__version__ = "2.9.0"


# Do NOT import MDAnalysis at this level. Tests should do it themselves.
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2 changes: 1 addition & 1 deletion testsuite/setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -75,7 +75,7 @@ def run(self):

if __name__ == "__main__":
# this must be in-sync with MDAnalysis
RELEASE = "2.9.0-dev0"
RELEASE = "2.9.0"

setup(
version=RELEASE,
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