Merge pull request #40 from open-lasso-python/release/2.0.1

Release 2.0.1

.github/workflows/ci-cd.yml

@@ -12,14 +12,14 @@ jobs:
     runs-on: ubuntu-latest
 
     strategy:
-      # If either the tests for 3.8 or 3.10 fail all workflows
+      # If either the tests for 3.8 or 3.11 fail all workflows
       # are terminated to safe computing resources.
       fail-fast: true
       # To safe runtime least and latest version supported are
       # chosen. We go for 3.8 due to some dependencies. For more
       # info see the pyproject.toml
       matrix:
-        python-version: ["3.8", "3.10"]
+        python-version: ["3.8", "3.11"]
 
     steps:
       - uses: actions/checkout@v3
@@ -79,10 +79,10 @@ jobs:
           echo "version=${VERSION}" >> $GITHUB_OUTPUT
 
       # For publishing any version will do
-      - name: Set up Python 3.10
+      - name: Set up Python 3.11
         uses: actions/setup-python@v4
         with:
-          python-version: "3.10"
+          python-version: "3.11"
 
       - name: Install Task
         run: |
@@ -127,10 +127,10 @@ jobs:
 
     steps:
       # Install python (be aware NO checkout action)
-      - name: Set up Python 3.10
+      - name: Set up Python 3.11
         uses: actions/setup-python@v4
         with:
-          python-version: "3.10"
+          python-version: "3.11"
 
       # Check if it installs without errors
       - name: Install package
@@ -158,10 +158,10 @@ jobs:
         with:
           fetch-depth: 0
 
-      - name: Set up Python 3.10
+      - name: Set up Python 3.11
         uses: actions/setup-python@v4
         with:
-          python-version: "3.10"
+          python-version: "3.11"
 
       - name: Install Task
         run: |

.gitignore

@@ -74,3 +74,6 @@ venv.bak/
 
 # Ignore generated changelog
 CHANGELOG.md
+
+# a custom testing file with non-public files
+test/read_write_test.py

lasso/diffcrash/diffcrash_run.py

@@ -82,7 +82,7 @@ def parse_diffcrash_args():
     print(get_application_header())
 
     parser = argparse.ArgumentParser(
-        description="Python utility script for Diffcrash written by LASSO GmbH."
+        description="Python utility script for Diffcrash written by OPEN-LASSO."
     )
 
     parser.add_argument(
@@ -1225,7 +1225,7 @@ def read_config_file(self, config_file: str) -> List[str]:
             From the official diffcrash docs ... seriously.
         """
 
-        # Just to make it clear, this is not code from LASSO
+        # Just to make it clear, this is not code from OPEN-LASSO
         # ...
 
         # pylint: disable = too-many-locals

lasso/dimred/hashing_sphere.py

@@ -32,7 +32,7 @@ def _create_sphere_mesh(diameter: np.ndarray) -> typing.Tuple[np.ndarray, np.nda
         beta bin boundaries
     """
 
-    assert diameter.dtype == np.float
+    assert diameter.dtype == float
 
     # partition latitude
     n_alpha = 145
@@ -142,8 +142,8 @@ def sphere_hashing(
     # same length as the number of points
     assert len(bin_numbers[0] == len(field))
     # check data types
-    assert bin_numbers.dtype == np.int
-    assert bin_counts.dtype == np.float
+    assert bin_numbers.dtype == int
+    assert bin_counts.dtype == float
 
     n_rows = bin_counts.shape[0]
     n_cols = bin_counts.shape[1]

lasso/dyna/d3plot.py

@@ -674,8 +674,14 @@ def build_header(self):
         ):
             new_header["ioshl3"] = 1000
         else:
-            # new_header["ioshl3"] = 999
-            new_header["ioshl3"] = 0
+            # See https://github.com/open-lasso-python/lasso-python/issues/39
+            if (
+                ArrayType.element_shell_thickness in self.d3plot.arrays
+                or ArrayType.element_shell_internal_energy in self.d3plot.arrays
+            ):
+                new_header["ioshl3"] = 999
+            else:
+                new_header["ioshl3"] = 0
 
         if n_shells == 0:
             new_header["ioshl3"] = (
@@ -6163,7 +6169,7 @@ def plot(
     def write_d3plot(
         self, filepath: Union[str, BinaryIO], block_size_bytes: int = 2048, single_file: bool = True
     ):
-        """Write a d3plot file again **(pro version only)**
+        """Write a d3plot file again
 
         Parameters
         ----------
@@ -6200,11 +6206,6 @@ def write_d3plot(
             ...                                                         [1, 0, 0],
             ...                                                         [0, 1, 0]]])
             >>> d3plot.write_d3plot("yay.d3plot")
-
-        Notes
-        -----
-            This function is not available in the public version please contact
-            LASSO directly in case of further interest.
         """
 
         # if there is a single buffer, write all in

lasso/dyna/test_mapper.py

@@ -387,7 +387,7 @@ def test_others(self):
         strain1 = np.random.randn(1, 2)
         strain2 = np.random.randn(1, 2)
 
-        history_vars = np.array([[1, 2], [0, 3], [12, 2]], dtype=np.float)
+        history_vars = np.array([[1, 2], [0, 3], [12, 2]], dtype=float)
 
         history_vars1 = np.random.randn(3, 2)
         history_vars2 = np.random.randn(3, 2)

lasso/femzip/femzip_api.py

@@ -1179,12 +1179,6 @@ def read_variables(
         -------
         arrays: dict
             dictionary with d3plot arrays
-
-        Notes
-        -----
-            Uses extended femzip library and requires a license
-            for 'FEMUNZIPLIB_DYNA'. Please contact sidact if
-            required.
         """
 
         # pylint: disable = too-many-arguments