diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index c6d904c..e2b768e 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -41,7 +41,9 @@ jobs: - name: Run tests with pytest and generate coverage run: | - pytest --cov=. --cov-report=xml --cov-report=term-missing + export PYTHONPATH=$PYTHONPATH:$(pwd) + echo $PYTHONPATH + python -m pytest --cov=. --cov-report=xml --cov-report=term-missing - name: Upload coverage report uses: actions/upload-artifact@v4 diff --git a/training/pyproject.toml b/training/pyproject.toml index dceea6a..c7c62c0 100644 --- a/training/pyproject.toml +++ b/training/pyproject.toml @@ -5,3 +5,9 @@ line-length = 120 [tool.isort] profile = "black" known_third_party = "wandb" + +[project] +name = "alphafind_training" +version = "0.0.1" +description = "AlphaFold training -- setup for the similarity search on vast protein data" +readme = "README.md" diff --git a/training/tests/test_create_embedding.py b/training/tests/test_create_embedding.py index cbfa8b3..66ecead 100644 --- a/training/tests/test_create_embedding.py +++ b/training/tests/test_create_embedding.py @@ -5,7 +5,7 @@ import pandas as pd import pytest -from alphafind_training.create_embedding import run +from alphafind_training.create_embedding import create_embedding @pytest.fixture(scope="function") @@ -37,7 +37,7 @@ def test_create_embedding(): # 45 features for each protein - (10x10 - 10) / 2 expected_dimensionality = 45 - run(Path(cif_path), Path(output_path), granularity) + create_embedding(Path(cif_path), Path(output_path), granularity) assert os.path.exists(output_path) assert os.path.getsize(output_path) > 0