From f73a6b9c2afa4f79c312741d9033defca13181e7 Mon Sep 17 00:00:00 2001
From: Charlie Harris <charlieharris001@gmail.com>
Date: Wed, 21 Aug 2024 11:57:07 +0100
Subject: [PATCH 1/3] chore: Update package installation step in tests.yaml

---
 .github/workflows/tests.yaml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/tests.yaml b/.github/workflows/tests.yaml
index 63535c1..2a4a79c 100644
--- a/.github/workflows/tests.yaml
+++ b/.github/workflows/tests.yaml
@@ -38,8 +38,8 @@ jobs:
       #- name: Install PyTorch
       #  run: mamba install -c pytorch pytorch==${{matrix.torch}} cpuonly
       
-      - name: Install Extras
-        run: pip install -r requirements.txt
+      - name: Install package
+        run: pip install .
       
       # - name: Install OpenBabel
       #   run: mamba install -c conda-forge openbabel

From cd1bc9afc190cdf242aac55bf622a60de625c358 Mon Sep 17 00:00:00 2001
From: Charlie Harris <charlieharris001@gmail.com>
Date: Wed, 21 Aug 2024 12:12:49 +0100
Subject: [PATCH 2/3] chore: Update .gitignore to ignore build and dist
 directories

---
 .gitignore | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/.gitignore b/.gitignore
index 8b58c66..66185b6 100644
--- a/.gitignore
+++ b/.gitignore
@@ -5,4 +5,7 @@ posecheck/utils/__pycache__*
 */*/__pycache__/
 .vscode/*
 .DS_Store
-*.pyc
\ No newline at end of file
+*.pyc
+
+build/*
+dist/*
\ No newline at end of file

From 789f995f4509906fade412e840a864c3e7e5980d Mon Sep 17 00:00:00 2001
From: Charlie Harris <charlieharris001@gmail.com>
Date: Wed, 21 Aug 2024 12:19:26 +0100
Subject: [PATCH 3/3] add publish script

---
 .github/workflows/python-publish.yaml | 45 +++++++++++++++++++++++++++
 .gitignore                            |  3 +-
 2 files changed, 47 insertions(+), 1 deletion(-)
 create mode 100644 .github/workflows/python-publish.yaml

diff --git a/.github/workflows/python-publish.yaml b/.github/workflows/python-publish.yaml
new file mode 100644
index 0000000..c860ab6
--- /dev/null
+++ b/.github/workflows/python-publish.yaml
@@ -0,0 +1,45 @@
+# This workflow will upload a Python Package using Twine when a release is created
+# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python#publishing-to-package-registries
+
+# This workflow uses actions that are not certified by GitHub.
+# They are provided by a third-party and are governed by
+# separate terms of service, privacy policy, and support
+# documentation.
+
+name: Upload Python Package
+
+on:
+  release:
+    types: [published]
+
+permissions:
+  contents: read
+
+jobs:
+  deploy:
+
+    runs-on: ubuntu-latest
+
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python
+      uses: actions/setup-python@v3
+      with:
+        python-version: '3.x'
+
+    - name : Install black
+      run: pip install black
+
+    - name: Install dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install build
+    - name: Build package
+      run: python -m build
+    - name: Publish package
+      uses: pypa/gh-action-pypi-publish@27b31702a0e7fc50959f5ad993c78deac1bdfc29
+      with:
+        user: __token__
+        password: ${{ secrets.POSECHECK_API_TOKEN }}
+
+
diff --git a/.gitignore b/.gitignore
index 66185b6..6ca448b 100644
--- a/.gitignore
+++ b/.gitignore
@@ -8,4 +8,5 @@ posecheck/utils/__pycache__*
 *.pyc
 
 build/*
-dist/*
\ No newline at end of file
+dist/*
+