add vscode support for dev

.vscode/settings.json

@@ -8,30 +8,15 @@
         "editor.defaultFormatter": "vscode.json-language-features"
     },
     "[python]": {
-        "editor.defaultFormatter": "ms-python.pylint"
+        "editor.defaultFormatter": "eeyore.yapf"
     },
     "python.defaultInterpreterPath": "/usr/local/bin/python",
-    "python.formatting.provider": "yapf",
     "autoDocstring.docstringFormat": "numpy",
+    "python.formatting.provider": "yapf",
     "pythonIndent.trimLinesWithOnlyWhitespace": true,
     "python.languageServer": "Pylance",
     "python.autoComplete.extraPaths": [],
-    "python.linting.enabled": true,
-    "python.linting.pylintPath": "pylint",
-    "python.linting.pylintEnabled": true,
     "python.analysis.extraPaths": [],
     "python.testing.unittestEnabled": false,
     "python.testing.pytestEnabled": true,
-    "pylint.args": [
-        "--rcfile=pyproject.toml"
-    ],
-    "black-formatter.args": [
-        "--config=pyproject.toml"
-    ],
-    "flake8.args": [
-        "--toml-config=pyproject.toml"
-    ],
-    "isort.args": [
-        "--settings-path=pyproject.toml"
-    ]
-}
+}

qtsit.code-workspace

@@ -0,0 +1,18 @@
+{
+	"folders": [
+		{
+			"path": "../qtsit"
+		}
+	],
+	"settings": {
+		"editor.formatOnSave": true,
+		"editor.defaultFormatter": "ms-python.pylint",
+		"pylint.importStrategy": "useBundled",
+		"autoDocstring.docstringFormat": "numpy",
+		"pythonIndent.trimLinesWithOnlyWhitespace": true,
+		"python.languageServer": "Pylance",
+		"python.autoComplete.extraPaths": [],
+		"python.formatting.provider": "yapf",
+		"python.analysis.extraPaths": []
+	}
+}

setup.cfg

@@ -1,19 +1,11 @@
-[tool:pytest]
-markers =
-    jax: marks tests for deepchem-jax only (deselect with '-m "not jax"')
-    torch: marks tests for deepchem-torch only (deselect with '-m "not torch"')
-    tensorflow: marks tests for deepchem-torch only (deselect with '-m "not tensorflow"')
-    slow: marks tests as slow (deselect with '-m "not slow"')
-    serial
-    dqc: marks tests for deepchem-dqc only (deselect with '-m "not dqc"')
 [mypy]
 ignore_missing_imports = True
 
 [mypy-yaml.*]
 ignore_missing_imports = True
 
 [flake8]
-ignore = 
+ignore =
     # Indentation is not a multiple of four
     E111,
     # Indentation is not a multiple of four (comment)