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.github/workflows/tests.yml

@@ -25,24 +25,13 @@ on:
 
 jobs:
   build:
-
     runs-on: ${{ matrix.os }}
     strategy:
       fail-fast: false
       matrix:
         os: [ubuntu-latest, macOS-latest] #windows-latest (vina is not available for windows in conda-forge),m think about use bioconda autodock-vina
         python-version: [3.8, 3.9, '3.10', 3.11]
     steps:
-    # - uses: actions/checkout@v3
-    # - name: Setup conda
-    #   uses: s-weigand/setup-conda@v1
-    #   with:
-    #     update-conda: true
-    #     python-version: ${{ matrix.python-version }}
-    #     conda-channels: anaconda, conda-forge
-    # - name: Install dependencies from conda
-    #   run: |
-    #     conda install -y -c conda-forge vina
     - uses: actions/checkout@v4
     - name: Set up Python ${{ matrix.python-version }}
       uses: actions/setup-python@v4
@@ -66,7 +55,10 @@ jobs:
         echo after "Lint with flake8" My python version is actually: $(python --version).
     - name: Test with pytest
       run: |
-        pytest --cov moldrug
-    - name: Upload coverage reports to Codecov with GitHub Action
+        pytest tests --cov moldrug --cov-report xml
+    - name: Run codacy-coverage-reporter
+      uses: codacy/codacy-coverage-reporter-action@v1
       if: matrix.os == 'ubuntu-latest' && matrix.python-version == '3.9'
-      uses: codecov/codecov-action@v3
+      with:
+        project-token: ${{ secrets.CODACY_PROJECT_TOKEN }}
+        coverage-reports: coverage.xml

.gitignore

@@ -8,6 +8,7 @@ jupyter_execute
 error
 *.costfunc_MolDrug*
 .coverage*
+coverage.xml
 interesting_struct.txt
 nohup.out
 my_cost.py

README.rst

@@ -11,7 +11,7 @@ MolDrug
     * - **Tutorials**
       - |binder|
     * - **CI/CD**
-      - |tests| |codecov| |codacy| |CodeQL|
+      - |tests| |codacy| |CodeQL|
     * - **Build**
       - |pypi-version| |conda|
     * - **Source Code**
@@ -78,9 +78,6 @@ with the pharmaceutical company `Boehringer Ingelheim <https://www.boehringer-in
 ..  |tests| image:: https://github.com/ale94mleon/MolDrug/actions/workflows/tests.yml/badge.svg
     :target: https://github.com/ale94mleon/MolDrug/actions/workflows/tests.yml
     :alt: tests
-..  |codecov| image:: https://codecov.io/gh/ale94mleon/MolDrug/branch/main/graph/badge.svg?token=RTLKQ070YX
-    :target: https://codecov.io/gh/ale94mleon/MolDrug
-    :alt: codecov
 ..  |codacy| image:: https://app.codacy.com/project/badge/Grade/08a3ac7c13df4339b8a1da0e8d31810e
     :target: https://app.codacy.com/gh/ale94mleon/MolDrug/dashboard?utm_source=gh&utm_medium=referral&utm_content=&utm_campaign=Badge_grade
     :alt: codacy