diff --git a/.github/workflows/build-repo.yml b/.github/workflows/build-repo.yml index 7af4cc7ae..a39ecff47 100644 --- a/.github/workflows/build-repo.yml +++ b/.github/workflows/build-repo.yml @@ -37,7 +37,7 @@ jobs: fail-fast: false matrix: os: ["ubuntu-latest"] - python-version: ["3.10"] # ["3.10", "3.11"] + python-version: ["3.10", "3.11"] # https://github.com/marketplace/actions/setup-miniconda#use-a-default-shell defaults: diff --git a/.gitignore b/.gitignore index 827d85d1a..d805d549c 100644 --- a/.gitignore +++ b/.gitignore @@ -21,7 +21,7 @@ dist/* # hdf5 and tar *.hdf5 -*.tar +# *.tar # test htmlcov diff --git a/env/deeprank2.yml b/env/deeprank2.yml index 4e5d7b64f..0e7a5e448 100644 --- a/env/deeprank2.yml +++ b/env/deeprank2.yml @@ -7,7 +7,7 @@ channels: - conda-forge - sbl dependencies: - - python=3.10 + - python>=3.10,<3.12 - pip>=23.3 - sbl::libcifpp=5.1.0 - sbl::dssp=4.2.2.1 diff --git a/tests/data/pretrained/testing_graph_model2.pth.tar b/tests/data/pretrained/testing_graph_model2.pth.tar new file mode 100644 index 000000000..37363794e Binary files /dev/null and b/tests/data/pretrained/testing_graph_model2.pth.tar differ diff --git a/tests/data/pretrained/testing_grid_model2.pth.tar b/tests/data/pretrained/testing_grid_model2.pth.tar new file mode 100644 index 000000000..2f71237b1 Binary files /dev/null and b/tests/data/pretrained/testing_grid_model2.pth.tar differ diff --git a/tests/test_dataset.py b/tests/test_dataset.py index 932e7d3c9..200842ef2 100644 --- a/tests/test_dataset.py +++ b/tests/test_dataset.py @@ -277,7 +277,7 @@ def test_inherit_info_dataset_train_griddataset(self) -> None: def test_inherit_info_pretrained_model_griddataset(self) -> None: # Test the inheritance not giving in any parameters - pretrained_model = "tests/data/pretrained/testing_grid_model.pth.tar" + pretrained_model = "tests/data/pretrained/testing_grid_model2.pth.tar" dataset_test = GridDataset( hdf5_path=self.hdf5_path, train_source=pretrained_model, @@ -309,7 +309,7 @@ def test_inherit_info_pretrained_model_griddataset(self) -> None: def test_no_target_dataset_griddataset(self) -> None: hdf5_no_target = "tests/data/hdf5/test_no_target.hdf5" hdf5_target = "tests/data/hdf5/1ATN_ppi.hdf5" - pretrained_model = "tests/data/pretrained/testing_grid_model.pth.tar" + pretrained_model = "tests/data/pretrained/testing_grid_model2.pth.tar" dataset = GridDataset( hdf5_path=hdf5_no_target, @@ -1190,7 +1190,7 @@ def test_inherit_info_dataset_train_graphdataset(self) -> None: def test_inherit_info_pretrained_model_graphdataset(self) -> None: hdf5_path = "tests/data/hdf5/test.hdf5" - pretrained_model = "tests/data/pretrained/testing_graph_model.pth.tar" + pretrained_model = "tests/data/pretrained/testing_graph_model2.pth.tar" dataset_test = GraphDataset( hdf5_path=hdf5_path, train_source=pretrained_model, @@ -1238,7 +1238,7 @@ def test_inherit_info_pretrained_model_graphdataset(self) -> None: def test_no_target_dataset_graphdataset(self) -> None: hdf5_no_target = "tests/data/hdf5/test_no_target.hdf5" hdf5_target = "tests/data/hdf5/test.hdf5" - pretrained_model = "tests/data/pretrained/testing_graph_model.pth.tar" + pretrained_model = "tests/data/pretrained/testing_graph_model2.pth.tar" dataset = GraphDataset( hdf5_path=hdf5_no_target, @@ -1290,7 +1290,7 @@ def test_invalid_pretrained_model_path(self) -> None: def test_invalid_pretrained_model_data_type(self) -> None: hdf5_graph = "tests/data/hdf5/test.hdf5" - pretrained_grid_model = "tests/data/pretrained/testing_grid_model.pth.tar" + pretrained_grid_model = "tests/data/pretrained/testing_grid_model2.pth.tar" with pytest.raises(TypeError): GraphDataset( hdf5_path=hdf5_graph, @@ -1298,7 +1298,7 @@ def test_invalid_pretrained_model_data_type(self) -> None: ) hdf5_grid = "tests/data/hdf5/1ATN_ppi.hdf5" - pretrained_graph_model = "tests/data/pretrained/testing_graph_model.pth.tar" + pretrained_graph_model = "tests/data/pretrained/testing_graph_model2.pth.tar" with pytest.raises(TypeError): GridDataset( hdf5_path=hdf5_grid, diff --git a/tests/test_trainer.py b/tests/test_trainer.py index b57ffdd6f..e24ecf543 100644 --- a/tests/test_trainer.py +++ b/tests/test_trainer.py @@ -658,7 +658,7 @@ def test_invalid_no_cuda_available(self) -> None: def test_train_method_no_train(self) -> None: # Graphs data test_data_graph = "tests/data/hdf5/test.hdf5" - pretrained_model_graph = "tests/data/pretrained/testing_graph_model.pth.tar" + pretrained_model_graph = "tests/data/pretrained/testing_graph_model2.pth.tar" dataset_test = GraphDataset(hdf5_path=test_data_graph, train_source=pretrained_model_graph) trainer = Trainer( @@ -672,7 +672,7 @@ def test_train_method_no_train(self) -> None: # Grids data test_data_grid = "tests/data/hdf5/1ATN_ppi.hdf5" - pretrained_model_grid = "tests/data/pretrained/testing_grid_model.pth.tar" + pretrained_model_grid = "tests/data/pretrained/testing_grid_model2.pth.tar" dataset_test = GridDataset(hdf5_path=test_data_grid, train_source=pretrained_model_grid) trainer = Trainer( @@ -687,7 +687,7 @@ def test_train_method_no_train(self) -> None: def test_test_method_pretrained_model_on_dataset_with_target(self) -> None: # Graphs data test_data_graph = "tests/data/hdf5/test.hdf5" - pretrained_model_graph = "tests/data/pretrained/testing_graph_model.pth.tar" + pretrained_model_graph = "tests/data/pretrained/testing_graph_model2.pth.tar" dataset_test = GraphDataset(hdf5_path=test_data_graph, train_source=pretrained_model_graph) @@ -705,7 +705,7 @@ def test_test_method_pretrained_model_on_dataset_with_target(self) -> None: # Grids data test_data_grid = "tests/data/hdf5/1ATN_ppi.hdf5" - pretrained_model_grid = "tests/data/pretrained/testing_grid_model.pth.tar" + pretrained_model_grid = "tests/data/pretrained/testing_grid_model2.pth.tar" dataset_test = GridDataset(hdf5_path=test_data_grid, train_source=pretrained_model_grid) @@ -724,7 +724,7 @@ def test_test_method_pretrained_model_on_dataset_with_target(self) -> None: def test_test_method_pretrained_model_on_dataset_without_target(self) -> None: # Graphs data test_data_graph = "tests/data/hdf5/test_no_target.hdf5" - pretrained_model_graph = "tests/data/pretrained/testing_graph_model.pth.tar" + pretrained_model_graph = "tests/data/pretrained/testing_graph_model2.pth.tar" dataset_test = GraphDataset(hdf5_path=test_data_graph, train_source=pretrained_model_graph) @@ -744,7 +744,7 @@ def test_test_method_pretrained_model_on_dataset_without_target(self) -> None: # Grids data test_data_grid = "tests/data/hdf5/test_no_target.hdf5" - pretrained_model_grid = "tests/data/pretrained/testing_grid_model.pth.tar" + pretrained_model_grid = "tests/data/pretrained/testing_grid_model2.pth.tar" dataset_test = GridDataset(hdf5_path=test_data_grid, train_source=pretrained_model_grid)