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-rw-r--r--.github/workflows/test-plip-oddt.yaml25
1 files changed, 25 insertions, 0 deletions
diff --git a/.github/workflows/test-plip-oddt.yaml b/.github/workflows/test-plip-oddt.yaml
new file mode 100644
index 0000000..383a1e2
--- /dev/null
+++ b/.github/workflows/test-plip-oddt.yaml
@@ -0,0 +1,25 @@
+name: Test Curie Functions
+
+on: [push]
+
+jobs:
+ build:
+
+ runs-on: ubuntu-20.04
+ if: "! contains(github.event.head_commit.message, 'wip')"
+ strategy:
+ matrix:
+ python-version: [3.8]
+ steps:
+ - uses: actions/checkout@v2
+ - name: Set up Python ${{ matrix.python-version }}
+ uses: actions/setup-python@v2
+ with:
+ python-version: ${{ matrix.python-version }}
+ - name: Install dependencies
+ run: |
+ apt update && apt install python3-openbabel openbabel
+ python -m pip install git
+ python3 -m pip install git+https://github.com/navanchauhan/plip oddt
+ - name: Clean Test Data
+ run: cd tests && python test-oddt-plip.py