diff --git a/maintainer/conda/MDAnalysis/meta.yaml b/maintainer/conda/MDAnalysis/meta.yaml index f2037a87e3a..457d5d6fa6c 100644 --- a/maintainer/conda/MDAnalysis/meta.yaml +++ b/maintainer/conda/MDAnalysis/meta.yaml @@ -1,7 +1,7 @@ package: name: mdanalysis # This has to be changed after a release - version: "2.5.0-dev0" + version: "2.4.1" source: git_url: https://github.com/MDAnalysis/mdanalysis diff --git a/package/CHANGELOG b/package/CHANGELOG index 4702c20ceb4..c2174570c0a 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -13,17 +13,12 @@ The rules for this file: * release numbers follow "Semantic Versioning" http://semver.org ------------------------------------------------------------------------------ -??/??/?? IAlibay +12/17/22 IAlibay - * 2.5.0 + * 2.4.1 Fixes - -Enhancements - -Changes - -Deprecations +* Fixes pyproject.toml minimum pin for biopython 12/16/22 IAlibay, Luthaf, hmacdope, rafaelpap, jbarnoud, BFedder, aya9aladdin, diff --git a/package/MDAnalysis/version.py b/package/MDAnalysis/version.py index b940f838c40..59d5b8cc363 100644 --- a/package/MDAnalysis/version.py +++ b/package/MDAnalysis/version.py @@ -67,4 +67,4 @@ # e.g. with lib.log #: Release of MDAnalysis as a string, using `semantic versioning`_. -__version__ = "2.5.0-dev0" # NOTE: keep in sync with RELEASE in setup.py +__version__ = "2.4.1" # NOTE: keep in sync with RELEASE in setup.py diff --git a/package/pyproject.toml b/package/pyproject.toml index 13f6b162416..ad168894fd4 100644 --- a/package/pyproject.toml +++ b/package/pyproject.toml @@ -40,7 +40,7 @@ maintainers = [ requires-python = ">=3.8" dependencies = [ 'numpy>=1.20.0', - 'biopython>=1.71', + 'biopython>=1.80', 'networkx>=2.0', 'GridDataFormats>=0.4.0', 'mmtf-python>=1.0.0', @@ -84,6 +84,7 @@ extra_formats = [ "h5py>=2.10", "chemfiles>=0.10", "pyedr>=0.7.0", + "pytng>=0.2.3", ] analysis = [ "seaborn", diff --git a/package/setup.py b/package/setup.py index 0c6a5446a86..8aad0da2fdc 100755 --- a/package/setup.py +++ b/package/setup.py @@ -67,7 +67,7 @@ from subprocess import getoutput # NOTE: keep in sync with MDAnalysis.__version__ in version.py -RELEASE = "2.5.0-dev0" +RELEASE = "2.4.1" is_release = 'dev' not in RELEASE diff --git a/testsuite/MDAnalysisTests/__init__.py b/testsuite/MDAnalysisTests/__init__.py index 5857d1ec30b..9e7a079b224 100644 --- a/testsuite/MDAnalysisTests/__init__.py +++ b/testsuite/MDAnalysisTests/__init__.py @@ -97,7 +97,7 @@ logger = logging.getLogger("MDAnalysisTests.__init__") # keep in sync with RELEASE in setup.py -__version__ = "2.5.0-dev0" +__version__ = "2.4.1" # Do NOT import MDAnalysis at this level. Tests should do it themselves. diff --git a/testsuite/setup.py b/testsuite/setup.py index 5e821bda96f..37e0575db98 100755 --- a/testsuite/setup.py +++ b/testsuite/setup.py @@ -87,7 +87,7 @@ def run(self): if __name__ == '__main__': # this must be in-sync with MDAnalysis - RELEASE = "2.5.0-dev0" + RELEASE = "2.4.1" with open("README") as summary: LONG_DESCRIPTION = summary.read()