From a08c068e2c0d931b1ac219f5d78890dd1f5adf30 Mon Sep 17 00:00:00 2001
From: Artem Buldin <artibuld@gmail.com>
Date: Fri, 6 Nov 2026 12:25:48 +0100
Subject: [PATCH] docs: prepare PMD Workflow Store release metadata

---
 meta.json      | 16 ++++++++++++++++
 pyproject.toml |  4 ++++
 2 files changed, 20 insertions(+)
 create mode 100644 meta.json

diff --git a/meta.json b/meta.json
new file mode 100644
index 0000000..4da398b
--- /dev/null
+++ b/meta.json
@@ -0,0 +1,16 @@
+{
+  "title": "Molecular QM Models",
+  "workflow_environment": "SimStack",
+  "description": "Shared molecular data models for electronic-structure calculations in SimStack, including molecules, quantum-mechanical inputs and results, and nodes for importing molecule lists, building molecular databases and analysing conformer diversity.",
+  "authors": [
+    "Wolfgang Wenzel",
+    "Phillip Dullinger"
+  ],
+  "release": "v0.6.1",
+  "keywords": [
+    "SimStack",
+    "molecular quantum mechanics",
+    "molecular models",
+    "conformer analysis"
+  ]
+}
diff --git a/pyproject.toml b/pyproject.toml
index 1956141..1c91a6e 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -3,6 +3,10 @@ name = "molecular_qm_models"
 dynamic = ["version"]
 description = "Molecular QM Models"
 requires-python = ">=3.12, <3.13"
+authors = [
+    { name = "Wolfgang Wenzel" },
+    { name = "Phillip Dullinger" },
+]
 dependencies = [
     "pydantic",
     "numpy",