From 6fe3e6ebc9f7933cebfba07d21a359b2c80f747c Mon Sep 17 00:00:00 2001
From: Alvin Noe Ladines <ladinesalvinnoe@gmail.com>
Date: Wed, 11 Sep 2024 20:06:18 +0200
Subject: [PATCH] Use pypi pkgs

---
 .github/workflows/publish.yml | 36 +++++++++++++++++++++++++++++++++++
 pyproject.toml                |  8 ++++----
 2 files changed, 40 insertions(+), 4 deletions(-)
 create mode 100644 .github/workflows/publish.yml

diff --git a/.github/workflows/publish.yml b/.github/workflows/publish.yml
new file mode 100644
index 0000000..ae3d516
--- /dev/null
+++ b/.github/workflows/publish.yml
@@ -0,0 +1,36 @@
+# Upload python package to pypi server and github release.
+# Reference: https://packaging.python.org/en/latest/guides/publishing-package-distribution-releases-using-github-actions-ci-cd-workflows/
+
+name: Upload Python Package
+
+on:
+  release:
+    types: [published]
+
+jobs:
+  publish-to-pypi:
+    name: >-
+      Publish distribution to PyPI
+    runs-on: ubuntu-latest
+    environment:
+      name: pypi
+      url: https://pypi.org/p/nomad-parser-plugins-atomistic
+    permissions:
+      id-token: write # IMPORTANT: mandatory for trusted publishing
+  
+    steps:
+      - uses: actions/checkout@v4
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: "3.9"
+      - name: Install pypa/build
+        run: >-
+          python3 -m
+          pip install
+          build
+          --user
+      - name: Build a binary wheel and a source tarball
+        run: python3 -m build
+      - name: Publish distribution  to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
diff --git a/pyproject.toml b/pyproject.toml
index ce6e8fd..19078af 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -3,7 +3,7 @@ requires = ["setuptools"]
 build-backend = "setuptools.build_meta"
 
 [project]
-name = "atomisticparsers"
+name = "nomad-parser-plugins-atomistic"
 version = "1.0"
 description = "Collection of NOMAD parsers for atomistic codes."
 readme = "README.md"
@@ -11,9 +11,9 @@ authors = [{ name = "The NOMAD Authors" }]
 license = { file = "LICENSE" }
 dependencies = [
     "nomad-lab>=1.3.6.dev1",
-    "nomad-schema-plugin-simulation-workflow@git+https://github.com/nomad-coe/nomad-schema-plugin-simulation-workflow.git@develop",
-    "nomad-schema-plugin-run@git+https://github.com/nomad-coe/nomad-schema-plugin-run.git@develop",
-    "simulationparsers@git+https://github.com/nomad-coe/simulation-parsers.git@develop",
+    "nomad-schema-plugin-simulation-workflow>=1.0.1",
+    "nomad-schema-plugin-run@>=1.0.1",
+    "nomad-parser-plugins-simulation>=1.0.2",
     "lxml>=5.2",
     "mdanalysis==2.7.0",
     "panedr>=0.2",