From 3ec50df052bb84b6e0370b55e56cffc55f057ee4 Mon Sep 17 00:00:00 2001
From: Jimmy Charnley Kromann <jimmy@charnley.dk>
Date: Fri, 29 Mar 2024 21:13:40 +0100
Subject: [PATCH] Duplicate information for pypi

---
 environment_dev.yaml  |  1 +
 pyproject.toml        |  2 +-
 setup.py              | 14 +++++++++++++-
 src/qmllib/version.py |  2 +-
 4 files changed, 16 insertions(+), 3 deletions(-)

diff --git a/environment_dev.yaml b/environment_dev.yaml
index d855b05..e3031ae 100644
--- 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
index 589505e..1911c7a 100644
--- 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
index e4a4e32..9f01b0f 100644
--- 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
index 5becc17..5c4105c 100644
--- a/src/qmllib/version.py
+++ b/src/qmllib/version.py
@@ -1 +1 @@
-__version__ = "1.0.0"
+__version__ = "1.0.1"