Remove run schema from nomad (#11)

* Use run schema plugin * Add missing dependency * Fix tests data * Add ruff
nomad-coe · Feb 5, 2024 · 04fccb0 · 04fccb0
1 parent 73b16ee
commit 04fccb0
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Showing 4 changed files with 387 additions and 2 deletions.
diff --git a/.github/workflows/python-actions.yaml b/.github/workflows/python-actions.yaml
@@ -25,3 +25,9 @@ jobs:
     - name: Test with pytest
       run: |
         python -m pytest -sv tests
+
+  ruff:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v3
+      - uses: chartboost/ruff-action@v1
diff --git a/pyproject.toml b/pyproject.toml
@@ -28,13 +28,45 @@ tests = [
     'pytest-timeout==1.4.2',
     'pytest-cov==2.7.1',
     'astroid==2.11.7',
-    'typing-extensions==4.4.0'
+    'typing-extensions==4.4.0',
+    'ruff==0.1.4',
 ]
 
+[tool.ruff]
+include = ["electronicparsers/*.py", "tests/*.py"]
+select = [
+    "E", # pycodestyle
+    "W", # pycodestyle
+    "PL", # pylint
+]
+ignore = [
+    "E501", # Line too long ({width} > {limit} characters)
+    "E701", # Multiple statements on one line (colon)
+    "E731", # Do not assign a lambda expression, use a def
+    "E402",  # Module level import not at top of file
+    "PLR0911", # Too many return statements
+    "PLR0912", # Too many branches
+    "PLR0913", # Too many arguments in function definition
+    "PLR0915", # Too many statements
+    "PLR2004", # Magic value used instead of constant
+    "PLW0603", # Using the global statement
+    "PLW2901", # redefined-loop-name
+    "PLR1714", # consider-using-in
+    "PLR5501", # else-if-used
+]
+fixable = ["ALL"]
+
 [tool.setuptools.packages.find]
 include = [
     "databaseparsers*",
 ]
 
 [tool.setuptools.package-data]
 databaseparsers = ['*/metadata.yaml', '*/README.md']
+
+[tool.mypy]
+strict = false
+ignore_missing_imports = true
+follow_imports = "silent"
+no_strict_optional = true
+disable_error_code = "import, annotation-unchecked"
diff --git a/tests/data/openkim/openkim_archive_data.json b/tests/data/openkim/openkim_archive_data.json
@@ -1,6 +1,7 @@
 {
     "run": [
         {
+	    "m_def": "runschema.run.Run",
             "program": {
                 "name": "OpenKIM",
                 "version": "TE_776080871867_007",
@@ -61,6 +62,7 @@
             ]
         },
         {
+	    "m_def": "runschema.run.Run",
             "program": {
                 "name": "OpenKIM",
                 "version": "TE_929921425793_007",
@@ -121,6 +123,7 @@
             ]
         },
         {
+	    "m_def": "runschema.run.Run",
             "program": {
                 "name": "OpenKIM",
                 "version": "TE_162589006162_007",
@@ -181,6 +184,7 @@
             ]
         },
         {
+	    "m_def": "runschema.run.Run",
             "program": {
                 "name": "OpenKIM",
                 "version": "TE_162589006162_007",
@@ -241,6 +245,7 @@
             ]
         },
         {
+	    "m_def": "runschema.run.Run",
             "program": {
                 "name": "OpenKIM",
                 "version": "TE_162589006162_007",
@@ -301,6 +306,7 @@
             ]
         },
         {
+	    "m_def": "runschema.run.Run",
             "program": {
                 "name": "OpenKIM",
                 "version": "TE_162589006162_007",
@@ -361,6 +367,7 @@
             ]
         },
         {
+	    "m_def": "runschema.run.Run",
             "program": {
                 "name": "OpenKIM",
                 "version": "TE_162589006162_007",
@@ -421,6 +428,7 @@
             ]
         },
         {
+	    "m_def": "runschema.run.Run",
             "program": {
                 "name": "OpenKIM",
                 "version": "TE_162589006162_007",
@@ -481,6 +489,7 @@
             ]
         },
         {
+	    "m_def": "runschema.run.Run",
             "program": {
                 "name": "OpenKIM",
                 "version": "TE_162589006162_007",
@@ -541,6 +550,7 @@
             ]
         },
         {
+	    "m_def": "runschema.run.Run",
             "program": {
                 "name": "OpenKIM",
                 "version": "TE_162589006162_007",
@@ -601,4 +611,4 @@
             ]
         }
     ]
-}
+}