fix: python3.8 compatibility, new unit tests and lint fixes. ci: sema…

…tic release versioning.

.flake8

@@ -0,0 +1,15 @@
+[flake8]
+max-line-length = 100
+max-complexity = 10
+select = C,E,F,W,B,B950
+ignore = E203,E501,W503,W605
+exclude =
+    .git,
+    __pycache__,
+    *.egg-info,
+    .nox,
+    .pytest_cache,
+    .mypy_cache
+    .vscode
+    dist
+

.gitignore

@@ -1,3 +1,6 @@
+site/
+.sandbox
+.test-temp
 # Byte-compiled / optimized / DLL files
 __pycache__/
 *.py[cod]

.vscode/launch.json

@@ -0,0 +1,19 @@
+{
+    // Use IntelliSense to learn about possible attributes.
+    // Hover to view descriptions of existing attributes.
+    // For more information, visit: https://go.microsoft.com/fwlink/?linkid=830387
+    "version": "0.2.0",
+    "configurations": [
+        {
+            "name": "Python: Run Current file",
+            "type": "debugpy",
+            "request": "launch",
+            "program": "${file}",
+            // "args": ["assays.table.data"],
+            "console": "integratedTerminal",
+            "cwd": "${workspaceFolder}",
+            "env": {"PYTHONPATH": "${cwd}"},
+            "justMyCode": true
+        }
+    ]
+}

.vscode/settings.json

@@ -0,0 +1,34 @@
+{
+    "files.exclude": {
+        "**/__pycache__": true,
+        "**/.pytest_cache": true,
+    },
+    "files.associations": {
+        "*.json": "json",
+        "*.py": "python",
+        "a_*.txt": "tsv",
+        "i_*.txt": "tsv",
+        "m_*.tsv": "tsv",
+        "s_*.txt": "tsv"
+      },
+      "[python]": {
+        "editor.formatOnSave": true,
+        "editor.codeActionsOnSave": {
+            "source.organizeImports": "explicit"
+        },
+
+      },
+      "python.formatting.blackArgs": [
+        // "--line-length",
+        // "100"
+    ],
+    "python.testing.unittestEnabled": false,
+    "python.testing.pytestEnabled": true,
+    "python.testing.pytestArgs": [
+        "-v",
+        // "--cov=${workspaceFolder}/metabolights_utils",
+        // "--cov-report=html",
+        "${workspaceFolder}/tests/"
+    ]
+
+}

CHANGELOG.md

@@ -0,0 +1,9 @@
+# CHANGELOG
+
+## v1.0.0 (2024-06-18)
+
+### Unknown
+
+* feature: first release of metabolights-utils API and CLI ([`2d47b53`](https://github.com/EBI-Metabolights/metabolights-utils/commit/2d47b53d13d26bd46d8fa976c26f2f47df18f542))
+
+* Initial commit ([`55106cd`](https://github.com/EBI-Metabolights/metabolights-utils/commit/55106cd581fdd8d360b366c216ef85042f4c3906))