Duplicate information for pypi

qmlcode · Mar 29, 2024 · 3ec50df · 3ec50df
1 parent 15ec372
commit 3ec50df
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Showing 4 changed files with 16 additions and 3 deletions.
diff --git a/environment_dev.yaml b/environment_dev.yaml
@@ -18,3 +18,4 @@ dependencies:
   - build
   - meson
   - ninja
+  - twine
diff --git a/pyproject.toml b/pyproject.toml
@@ -8,7 +8,7 @@ dynamic = ["version"]
 authors = []
 requires-python = ">=3.8"
 readme="README.rst"
-description=""
+description="Python/Fortran toolkit for representation of molecules and solids for machine learning of properties of molecules and solids."
 classifiers = [
     "Intended Audience :: Developers",
     "Intended Audience :: Science/Research",

diff --git a/setup.py b/setup.py
@@ -11,4 +11,16 @@
 
 if __name__ == "__main__":
     _compile.main()
-    setup()
+    setup(
+        description="Python/Fortran toolkit for representation of molecules and solids for machine learning of properties of molecules and solids.",
+        classifiers=[
+            "Intended Audience :: Developers",
+            "Intended Audience :: Science/Research",
+            "License :: OSI Approved :: MIT License",
+            "Programming Language :: Python :: 3",
+            "Programming Language :: Python",
+            "Topic :: Scientific/Engineering :: Artificial Intelligence",
+            "Topic :: Scientific/Engineering :: Chemistry",
+        ],
+        keywords=["qml", "quantum chemistry", "machine learning"],
+    )
diff --git a/src/qmllib/version.py b/src/qmllib/version.py
@@ -1 +1 @@
-__version__ = "1.0.0"
+__version__ = "1.0.1"