ipyvasp 0.9.97__tar.gz → 0.9.99__tar.gz

{ipyvasp-0.9.97 → ipyvasp-0.9.99}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: ipyvasp
-Version: 0.9.97
+Version: 0.9.99
 Summary: A processing tool for VASP DFT input/output processing in Jupyter Notebook.
 Home-page: https://github.com/massgh/ipyvasp
 Author: Abdul Saboor
@@ -24,6 +24,7 @@ Requires-Dist: plotly==6.0.1
 Requires-Dist: requests==2.28.1
 Requires-Dist: typer==0.9.0
 Requires-Dist: einteract
+Requires-Dist: sympy
 Provides-Extra: extra
 Requires-Dist: jupyterlab>=3.5.2; extra == "extra"
 Requires-Dist: ipython>=8.7; extra == "extra"

{ipyvasp-0.9.97 → ipyvasp-0.9.99}/ipyvasp/_lattice.py

@@ -294,7 +294,7 @@ def write_poscar(poscar_data, outfile=None, selective_dynamics=None, overwrite=F
                 f.write(out_str)
         else:
             raise FileExistsError(
-                f"{outfile!r} exists, can not overwrite, \nuse overwrite=True if you want to chnage."
+                f"{outfile!r} exists, can not overwrite, \nuse overwrite=True if you want to change."
             )
     else:
         print(out_str)

ipyvasp-0.9.99/ipyvasp/_version.py

@@ -0,0 +1 @@
+__version__ = "0.9.99"

{ipyvasp-0.9.97 → ipyvasp-0.9.99}/ipyvasp/utils.py

@@ -137,6 +137,19 @@ def _sig_kwargs(from_func, skip_params=()):
 
     return wrapper
 
+def _md_code_blocks_to_rst(text):
+    def repl(match):
+        language = match.group(1) or 'python'  # default to 'python' if no language
+        code = match.group(2)
+        return f'.. code-block:: {language}\n\n   ' + '\n   '.join(code.strip().splitlines())
+
+    return re.sub(
+        r'```([a-zA-Z0-9]*)\s*\n(.*?)```',
+        repl,
+        text,
+        flags=re.DOTALL
+    )
+
 
 def _sub_doc(from_func, replace={}):
     """Assing __doc__ from other function. Replace words in docs where need."""
@@ -148,7 +161,7 @@ def _sub_doc(from_func, replace={}):
 
         for k, v in replace.items():
             docs = re.sub(k, v, docs, count=1, flags=re.DOTALL)
-        func.__doc__ = docs
+        func.__doc__ = _md_code_blocks_to_rst(docs)
         return func
 
     return wrapper

{ipyvasp-0.9.97 → ipyvasp-0.9.99}/ipyvasp.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: ipyvasp
-Version: 0.9.97
+Version: 0.9.99
 Summary: A processing tool for VASP DFT input/output processing in Jupyter Notebook.
 Home-page: https://github.com/massgh/ipyvasp
 Author: Abdul Saboor
@@ -24,6 +24,7 @@ Requires-Dist: plotly==6.0.1
 Requires-Dist: requests==2.28.1
 Requires-Dist: typer==0.9.0
 Requires-Dist: einteract
+Requires-Dist: sympy
 Provides-Extra: extra
 Requires-Dist: jupyterlab>=3.5.2; extra == "extra"
 Requires-Dist: ipython>=8.7; extra == "extra"

{ipyvasp-0.9.97 → ipyvasp-0.9.99}/ipyvasp.egg-info/requires.txt

@@ -8,6 +8,7 @@ plotly==6.0.1
 requests==2.28.1
 typer==0.9.0
 einteract
+sympy
 
 [extra]
 jupyterlab>=3.5.2

{ipyvasp-0.9.97 → ipyvasp-0.9.99}/setup.py

@@ -29,6 +29,7 @@ REQUIRED = [
     "requests==2.28.1",
     "typer==0.9.0",
     "einteract", # any latest version of einteract 
+    "sympy",
 ]
 
 # What packages are optional?

ipyvasp-0.9.97/ipyvasp/_version.py

@@ -1 +0,0 @@
-__version__ = "0.9.97"