Update package

.github/workflows/publish.yml

@@ -19,11 +19,12 @@ jobs:
       - name: Install dependencies
         run: |
           python -m pip install --upgrade pip
-          python -m pip install setuptools wheel twine
-      - name: Build and publish
+          python -m pip install setuptools build twine
+      - name: Build
+        run: make build python=python
+      - name: Publish
         env:
           TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
           TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
         run: |
-          python setup.py sdist bdist_wheel
-          twine upload dist/*
+          make upload python=python

.github/workflows/test.yml

@@ -25,14 +25,13 @@ jobs:
           activate-environment: rmsd-dev
           environment-file: environment.yml
           python-version: ${{ matrix.python-version }}
-      - run: |
-          ls
-          pwd
-          which python
-          conda info
       - run: pip install .
       - run: which calculate_rmsd
       - run: |
           make test python=python
       - run: |
           make format python=python
+      - run: |
+          make build python=python
+          make test-dist python=python
+          pip install dist/*

Makefile

@@ -30,9 +30,6 @@ types:
 cov:
 	${python} -m pytest --cov=${package} --cov-config .coveragerc --cov-report html tests
 
-compile:
-	${python} _compile.py
-
 build:
 	${python} -m build --sdist --skip-dependency-check  .