update package metadata

Author: ale94mleon

MANIFEST.in

@@ -7,6 +7,16 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ## [unreleased]
 
+## [3.6.1] - 2023.12.11
+
+### Fix
+
+- LICENCE on PyPi.
+
+### Add
+
+- Extra metadata to the package.
+
 ## [3.6.0] - 2023.12.07
 
 ### Added
@@ -432,7 +442,8 @@ Print the starting date when MolDrug is called from the command line.
 - Minor code cleaning.
 - Better code covered during testing
 
-[unreleased]: https://github.com/ale94mleon/MolDrug/compare/3.6.0...HEAD
+[unreleased]: https://github.com/ale94mleon/MolDrug/compare/3.6.1...HEAD
+[3.6.1]: https://github.com/ale94mleon/MolDrug/compare/3.6.0...3.6.1
 [3.6.0]: https://github.com/ale94mleon/MolDrug/compare/3.5.0...3.6.0
 [3.5.0]: https://github.com/ale94mleon/MolDrug/compare/3.4.0...3.5.0
 [3.4.0]: https://github.com/ale94mleon/MolDrug/compare/3.3.0...3.4.0

docs/source/CHANGELOG.md

@@ -6,10 +6,11 @@ requires=[
 build-backend = "setuptools.build_meta"
 
 [project.urls]
-"Hompage" = "https://github.com/ale94mleon/moldrug"
-"Discussions" = "https://github.com/ale94mleon/moldrug/discussions"
-"Documentation" = "https://moldrug.readthedocs.io/en/latest/"
-"Issues" = "https://github.com/ale94mleon/moldrug/issues"
+Hompage = "https://github.com/ale94mleon/moldrug"
+Documentation = "https://moldrug.readthedocs.io/en/latest/"
+Discussions = "https://github.com/ale94mleon/moldrug/discussions"
+Issues = "https://github.com/ale94mleon/moldrug/issues"
+Changelog = "https://github.com/ale94mleon/MolDrug/blob/main/docs/source/CHANGELOG.md"
 
 [project]
 name = "moldrug"
@@ -24,6 +25,7 @@ authors=[
 classifiers = [
     "Development Status :: 4 - Beta",
     "Operating System :: OS Independent",
+    "Intended Audience :: Science/Research",
     "License :: OSI Approved :: Apache Software License",
     "Programming Language :: Python :: 3",
     "Programming Language :: Python :: 3.8",
@@ -57,6 +59,9 @@ dependencies = [
     "scipy",  # a meeko dependency
 ]
 
+[project.license]
+file = "LICENSE"
+
 [project.optional-dependencies]
 dev = ["requests", "pytest"]
 
@@ -94,7 +99,6 @@ moldrug = [
 
 ]
 
-
 [project.scripts]
 moldrug = "moldrug.cli:__moldrug_cmd"
 constrainconf_moldrug = "moldrug.cli:__constraintconf_cmd"