Create pre-commit.sh

pre-commit.sh

@@ -0,0 +1,34 @@
+#!/bin/bash
+
+# Check if file argument was provided
+if [ $# -eq 0 ]; then
+  echo "Error: no file provided"
+  exit 1
+fi
+
+# Get filename from first argument
+file=$1
+
+# Format file with yapf
+echo "Formatting $file with yapf"
+python -m yapf -i "$file"
+
+# Type check qtsit package
+echo "Type checking deepchem package with mypy"
+python -m mypy -p qtsit
+
+# Lint file with flake8 and show count
+echo "Linting $file with flake8"
+python -m flake8 "$file" --count
+
+# Check if filename contains "test"
+if [[ $file != *"test"* ]]; then
+  # Test file with doctest
+  echo "Testing $file with doctest"
+  python -m doctest "$file"
+else
+  echo "Skipping doctest for test file $file"
+  echo "running pytest on $file"
+  python -m pytest "$file"
+fi
+~