From 713ec041136a7098f8ef2e6fe5a8f654b1c32c3b Mon Sep 17 00:00:00 2001
From: Dylan <dbmorgan98@gmail.com>
Date: Tue, 29 Oct 2024 18:33:43 +0000
Subject: [PATCH] Added pytest CI

---
 .github/workflows/{pypi.yml => pypi.yaml}     |  0
 .../workflows/{pyright.yml => pyright.yaml}   |  0
 .github/workflows/{pytest.yml => pytest.yaml} | 15 ++++++---
 .github/workflows/{ruff.yml => ruff.yaml}     |  0
 .../{sphinx-docs.yml => sphinx-docs.yaml}     |  0
 poetry.lock                                   | 33 +++++++++++++++++--
 pyproject.toml                                |  3 +-
 7 files changed, 44 insertions(+), 7 deletions(-)
 rename .github/workflows/{pypi.yml => pypi.yaml} (100%)
 rename .github/workflows/{pyright.yml => pyright.yaml} (100%)
 rename .github/workflows/{pytest.yml => pytest.yaml} (58%)
 rename .github/workflows/{ruff.yml => ruff.yaml} (100%)
 rename .github/workflows/{sphinx-docs.yml => sphinx-docs.yaml} (100%)

diff --git a/.github/workflows/pypi.yml b/.github/workflows/pypi.yaml
similarity index 100%
rename from .github/workflows/pypi.yml
rename to .github/workflows/pypi.yaml
diff --git a/.github/workflows/pyright.yml b/.github/workflows/pyright.yaml
similarity index 100%
rename from .github/workflows/pyright.yml
rename to .github/workflows/pyright.yaml
diff --git a/.github/workflows/pytest.yml b/.github/workflows/pytest.yaml
similarity index 58%
rename from .github/workflows/pytest.yml
rename to .github/workflows/pytest.yaml
index 0854f0e..6baf317 100644
--- a/.github/workflows/pytest.yml
+++ b/.github/workflows/pytest.yaml
@@ -19,9 +19,9 @@ on:
 jobs:
   test:
     runs-on: ubuntu-latest
-    strategy:
-      matrix:
-        python-version: ["3.10", "3.11", "3.12"]
+    # strategy:
+    #   matrix:
+    #     python-version: ["3.10", "3.11", "3.12"]
 
     steps:
       - uses: actions/checkout@v4
@@ -32,4 +32,11 @@ jobs:
       - name: Install the project dependencies
         run: poetry install --with=dev
       - name: Run the tests
-        run: pytest tests
+        run: pytest tests --cov=dfttools --cov-report xml
+
+      # TODO when approved for the maurergroup organisation
+      # - name: Coveralls GitHub Action
+      #   uses: coverallsapp/github-action@v2.3.4
+      #   with:
+      #     github-token: ${{ secrets.GITHUB_TOKEN }}
+      #     parallel: true  # Enable parallel support for Coveralls if needed
diff --git a/.github/workflows/ruff.yml b/.github/workflows/ruff.yaml
similarity index 100%
rename from .github/workflows/ruff.yml
rename to .github/workflows/ruff.yaml
diff --git a/.github/workflows/sphinx-docs.yml b/.github/workflows/sphinx-docs.yaml
similarity index 100%
rename from .github/workflows/sphinx-docs.yml
rename to .github/workflows/sphinx-docs.yaml
diff --git a/poetry.lock b/poetry.lock
index 9e75089..66e8a44 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -389,6 +389,25 @@ tomli = {version = "*", optional = true, markers = "python_full_version <= \"3.1
 [package.extras]
 toml = ["tomli"]
 
+[[package]]
+name = "coveralls"
+version = "4.0.1"
+description = "Show coverage stats online via coveralls.io"
+optional = false
+python-versions = "<3.13,>=3.8"
+files = [
+    {file = "coveralls-4.0.1-py3-none-any.whl", hash = "sha256:7a6b1fa9848332c7b2221afb20f3df90272ac0167060f41b5fe90429b30b1809"},
+    {file = "coveralls-4.0.1.tar.gz", hash = "sha256:7b2a0a2bcef94f295e3cf28dcc55ca40b71c77d1c2446b538e85f0f7bc21aa69"},
+]
+
+[package.dependencies]
+coverage = {version = ">=5.0,<6.0.dev0 || >6.1,<6.1.1 || >6.1.1,<8.0", extras = ["toml"]}
+docopt = ">=0.6.1,<0.7.0"
+requests = ">=1.0.0,<3.0.0"
+
+[package.extras]
+yaml = ["pyyaml (>=3.10,<7.0)"]
+
 [[package]]
 name = "cycler"
 version = "0.12.1"
@@ -404,6 +423,16 @@ files = [
 docs = ["ipython", "matplotlib", "numpydoc", "sphinx"]
 tests = ["pytest", "pytest-cov", "pytest-xdist"]
 
+[[package]]
+name = "docopt"
+version = "0.6.2"
+description = "Pythonic argument parser, that will make you smile"
+optional = false
+python-versions = "*"
+files = [
+    {file = "docopt-0.6.2.tar.gz", hash = "sha256:49b3a825280bd66b3aa83585ef59c4a8c82f2c8a522dbe754a8bc8d08c85c491"},
+]
+
 [[package]]
 name = "docutils"
 version = "0.21.2"
@@ -1766,5 +1795,5 @@ files = [
 
 [metadata]
 lock-version = "2.0"
-python-versions = "^3.10"
-content-hash = "5cd240c054a48392de43eb9235a618df03699b13a8f0b2faa6ad03c50bacbd54"
+python-versions = "^3.10, <3.13"
+content-hash = "d1e9bd2f2a28120fd6f1943985c293074f2b6d9ae9e4e7fabb4adf8f48e554f6"
diff --git a/pyproject.toml b/pyproject.toml
index 1970534..1357afe 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -10,7 +10,7 @@ license = "GPL-3.0"
 readme = "README.md"
 
 [tool.poetry.dependencies]
-python = "^3.10"
+python = "<=3.10,<3.13"
 numpy = "^1.26.4"
 scipy = "^1.13.0"
 ase = "^3.22.1"
@@ -28,6 +28,7 @@ pyright = "^1.1.373"
 ptpython = "^3.0.26"
 pytest = "^8.2.0"
 pytest-cov = "^5.0.0"
+coveralls = "^4.0.1"
 
 [tool.poetry.group.docs]
 optional = true