From 9594edbaf2ca0f56966582e7822b55021c1ebf06 Mon Sep 17 00:00:00 2001
From: Fabian Zills <fzills@icp.uni-stuttgart.de>
Date: Sat, 15 Nov 2025 11:19:59 +0100
Subject: [PATCH] release preperation

---
 README.md             |  2 +-
 docs/source/index.rst |  8 +++++++-
 pyproject.toml        | 11 +++++++++--
 uv.lock               |  2 +-
 4 files changed, 18 insertions(+), 5 deletions(-)

diff --git a/README.md b/README.md
index 79ef9ff..5c64106 100644
--- a/README.md
+++ b/README.md
@@ -5,7 +5,7 @@
 [![Docs](https://github.com/zincware/rdkit2ase/actions/workflows/pages.yaml/badge.svg)](https://zincware.github.io/rdkit2ase/)
 [![status](https://joss.theoj.org/papers/4c1ec2a0b66ed6baaf3fe93066696d5f/status.svg)](https://joss.theoj.org/papers/4c1ec2a0b66ed6baaf3fe93066696d5f)
 
-# molify - Interface between the rdkit and ASE package.
+# molify - Molecular Structure Interface with RDKit, ASE, Packmol and NetworkX
 
 Installation via `pip install molify`. For more information please visit the
 [documentation](https://zincware.github.io/rdkit2ase/).
diff --git a/docs/source/index.rst b/docs/source/index.rst
index 1a6c91a..884fd7a 100644
--- a/docs/source/index.rst
+++ b/docs/source/index.rst
@@ -156,11 +156,17 @@ More information and installation instructions can be found in the `UV documenta
 
 .. code-block:: console
 
-   (.venv) $ git clone https://github.com/zincware/molify
+   (.venv) $ git clone --recursive https://github.com/zincware/molify
    (.venv) $ cd molify
    (.venv) $ uv sync
    (.venv) $ source .venv/bin/activate
 
+If you haven't used `--recursive` you can also initialize the submodules later:
+
+.. code-block:: console
+
+   (.venv) $ git submodule update --init --recursive
+
 
 .. toctree::
    :maxdepth: 2
diff --git a/pyproject.toml b/pyproject.toml
index 8a78fd2..497dee3 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,7 +1,7 @@
 [project]
 name = "molify"
-version = "0.0.1a2"
-description = "Interface between rdkit and ASE"
+version = "0.2.0"
+description = "Molecular Structure Interface with RDKit, ASE, Packmol and NetworkX"
 readme = "README.md"
 license = "Apache-2.0"
 requires-python = ">=3.10"
@@ -40,6 +40,13 @@ vesin = [
 [project.scripts]
 packmol = "molify.packmol:packmol_cli"
 
+[project.urls]
+Repository = "https://github.com/zincware/molify"
+Releases = "https://github.com/zincware/molify/releases"
+Discord = "https://discord.gg/7ncfwhsnm4"
+Documentation = "https://molify.readthedocs.io/"
+
+
 [tool.ruff.lint]
 select = ["E", "F", "N", "C", "I"]
 extend-ignore = [
diff --git a/uv.lock b/uv.lock
index d6c160f..9d008f1 100644
--- a/uv.lock
+++ b/uv.lock
@@ -950,7 +950,7 @@ wheels = [
 
 [[package]]
 name = "molify"
-version = "0.0.1a2"
+version = "0.2.0"
 source = { editable = "." }
 dependencies = [
     { name = "ase" },