replace setup.py,cfg with pyproject.toml

- fix #385 - use pyproject.toml instead of setup.py (note: may need to change README for PyPi to exclude banners) - remove versioneer and use versioningit (use alchemlyb.__version__ directly where the version is needed, e.g., for sphinx docs) - updated CHANGES for 2.4.0
alchemistry · Sep 17, 2024 · 741cb09 · 741cb09
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commit 741cb09
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diff --git a/CHANGES b/CHANGES
@@ -13,17 +13,17 @@ The rules for this file:
   * release numbers follow "Semantic Versioning" https://semver.org
 
 
-??/??/2024 jaclark5, orbeckst
+09/17/2024 jaclark5, orbeckst
 
   * 2.4.0
 
 Enhancements
   - Addition of `block_average` function in both `convergence` and 
     `visualization` (Issue #380, PR #381)
-
-Enhancements:
   - add CITATION.cff file with all authors from AUTHORS (issue #394, PR #395)
-
+
+Changes
+  - modernize build system: replaced setup.py,cfg with pyproject.toml (#385)
 
 08/24/2024 xiki-tempula
 

diff --git a/docs/conf.py b/docs/conf.py
@@ -67,12 +67,11 @@
 # We always display the full release string; if something else is
 # desired, see the commented out code
 
-from alchemlyb._version import get_versions
-
-release = get_versions()["version"]
-del get_versions
+import alchemlyb
 
+release = alchemlyb.__version__
 version = release
+
 # version = release.split("+")[0]  # only major.minor.patch
 # version = "."join(release.split(".")[:2])  # only major.minor
 

diff --git a/setup.cfg b/setup.cfg
diff --git a/setup.py b/setup.py
diff --git a/src/alchemlyb/__init__.py b/src/alchemlyb/__init__.py
@@ -2,10 +2,7 @@
 
 import pandas as pd
 
-from ._version import get_versions
-
-__version__ = get_versions()["version"]
-del get_versions
+from ._version import __version__
 
 
 def pass_attrs(func):