ipyvasp 0.9.95__tar.gz → 0.9.97__tar.gz

{ipyvasp-0.9.95 → ipyvasp-0.9.97}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: ipyvasp
-Version: 0.9.95
+Version: 0.9.97
 Summary: A processing tool for VASP DFT input/output processing in Jupyter Notebook.
 Home-page: https://github.com/massgh/ipyvasp
 Author: Abdul Saboor
@@ -34,6 +34,7 @@ Requires-Dist: nglview>=3.0.4; extra == "extra"
 # IPyVASP
 
 [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.15482350.svg)](https://doi.org/10.5281/zenodo.15482350)
+[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/asaboor-gh/ipyvasp/HEAD?urlpath=%2Fdoc%2Ftree%2Fdocs%2Fsource%2Fnotebooks%2Fquickstart.ipynb)
 [![PyPI Downloads](https://static.pepy.tech/badge/ipyvasp)](https://pepy.tech/projects/ipyvasp)
 
 An VASP-based DFT pre and post processing tool.
@@ -46,6 +47,10 @@ cd ipyvasp
 pip install -e .
 ```
 
+## Documentataion
+- [Latest at Github Pages](https://asaboor-gh.github.io/ipyvasp/) 
+- [Read the Docs](https://ipyvasp.readthedocs.io/)
+
 ## Showcase Examples
 Plot 2D BZ layer on top of 3D!
 
@@ -77,4 +82,4 @@ Apply operations on POSCAR and simultaneously view using plotly's `FigureWidget`
 ![snip](op.png)
 
 ![BandsWidget](Bands.jpg)
-More coming soon!
+More coming soon! You can test these examples on [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/asaboor-gh/ipyvasp/HEAD?urlpath=%2Fdoc%2Ftree%2Fdocs%2Fsource%2Fnotebooks%2Fquickstart.ipynb).

{ipyvasp-0.9.95 → ipyvasp-0.9.97}/README.md

@@ -1,6 +1,7 @@
 # IPyVASP
 
 [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.15482350.svg)](https://doi.org/10.5281/zenodo.15482350)
+[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/asaboor-gh/ipyvasp/HEAD?urlpath=%2Fdoc%2Ftree%2Fdocs%2Fsource%2Fnotebooks%2Fquickstart.ipynb)
 [![PyPI Downloads](https://static.pepy.tech/badge/ipyvasp)](https://pepy.tech/projects/ipyvasp)
 
 An VASP-based DFT pre and post processing tool.
@@ -13,6 +14,10 @@ cd ipyvasp
 pip install -e .
 ```
 
+## Documentataion
+- [Latest at Github Pages](https://asaboor-gh.github.io/ipyvasp/) 
+- [Read the Docs](https://ipyvasp.readthedocs.io/)
+
 ## Showcase Examples
 Plot 2D BZ layer on top of 3D!
 
@@ -44,4 +49,4 @@ Apply operations on POSCAR and simultaneously view using plotly's `FigureWidget`
 ![snip](op.png)
 
 ![BandsWidget](Bands.jpg)
-More coming soon!
+More coming soon! You can test these examples on [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/asaboor-gh/ipyvasp/HEAD?urlpath=%2Fdoc%2Ftree%2Fdocs%2Fsource%2Fnotebooks%2Fquickstart.ipynb).

ipyvasp-0.9.97/ipyvasp/_version.py

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

{ipyvasp-0.9.95 → ipyvasp-0.9.97}/ipyvasp/widgets.py

@@ -87,13 +87,6 @@ def summarize(files, func, **kwargs):
     )
 
 
-_progress_svg = """<svg xmlns="http://www.w3.org/2000/svg" height="5em" viewBox="0 0 50 50">
-    <path fill="skyblue" d="M25,5A20.14,20.14,0,0,1,45,22.88a2.51,2.51,0,0,0,2.49,2.26h0A2.52,2.52,0,0,0,50,22.33a25.14,25.14,0,0,0-50,0,2.52,2.52,0,0,0,2.5,2.81h0A2.51,2.51,0,0,0,5,22.88,20.14,20.14,0,0,1,25,5Z">
-        <animateTransform attributeName="transform" type="rotate" from="0 25 25" to="360 25 25" dur="0.2s" repeatCount="indefinite"/>
-    </path>
-</svg>"""
-
-
 def fix_signature(cls):
     # VBox ruins signature of subclass, let's fix it
     cls.__signature__ = inspect.signature(cls.__init__)
@@ -598,7 +591,7 @@ class _ThemedFigureInteract(ei.InteractBase):
         self.observe(self._autosize_figs, names = 'isfullscreen') # fix figurewidget problem
 
     def _autosize_figs(self, change):
-        for w in self._all_widgets.values():
+        for w in self.params:
             # don't know yet about these without importing
             if re.search('plotly.*FigureWidget', str(type(w).__mro__)):
                 w.layout.autosize = False # Double trigger is important
@@ -620,15 +613,14 @@ class _ThemedFigureInteract(ei.InteractBase):
         self.set_css() # automatically sets dark/light, ensure after icon set
         fig.layout.autosize = True # must
     
-    @_sub_doc(ei.InteractBase.set_css) # overriding to alway be able to set_css
-    def set_css(self, main=None, center=None):
+    def _set_css(self, main=None, center=None): # allowed overriding, but not set_css
         # This is after setting icon above, so logic is fliipped
         style = _get_css("light" if self._theme.icon == 'sun' else 'dark') # infer from icon to match
         if isinstance(main, dict):
             style = {**style, **main} # main should allow override
         elif main is not None:
             raise TypeError("main must be a dict or None, got: {}".format(type(main)))
-        super().set_css(style, center)
+        super()._set_css(style, center)
     
     @property
     def files(self): 
@@ -799,7 +791,7 @@ class BandsWidget(_ThemedFigureInteract):
     
     @ei.callback
     def _toggle_footer(self, showft):
-        self._app.pane_heights = [0,100 - showft, showft]
+        self.pane_heights = [0,100 - showft, showft]
     
     @ei.callback
     def _set_krange(self, krange):
@@ -1038,25 +1030,23 @@ class KPathWidget(_ThemedFigureInteract):
 
     @ei.callback
     def _update_theme(self, fig, theme):
-        super()._update_theme(fig, theme)  # call parent method, but important
-
+        return super()._update_theme(fig, theme)
 
     @ei.callback
-    def _toggle_lock(self, lock):
-        self.params.lock.icon = 'lock' if self.params.lock.icon == 'unlock' else 'unlock'
-        self._show_info(f"{self.params.lock.icon}ed adding/deleting kpoints!")
-
-    @ei.callback
-    def _del_point(self, delp):
-        if self.params.lock.icon == 'unlock': # Do not delete locked
-            sm = self.params.sm
-            for v in sm.value:  # for loop here is important to update selection properly
-                sm.options = [opt for opt in sm.options if opt[1] != v]
-                self._update_selection()  # update plot as well
+    def _respond_click(self, lock, delp):
+        if lock.clicked:
+            self.params.lock.icon = 'lock' if self.params.lock.icon == 'unlock' else 'unlock'
+            self._show_info(f"{self.params.lock.icon}ed adding/deleting kpoints!")
+        elif delp.clicked:
+            if self.params.lock.icon == 'unlock': # Do not delete locked
+                sm = self.params.sm
+                for v in sm.value:  # for loop here is important to update selection properly
+                    sm.options = [opt for opt in sm.options if opt[1] != v]
+                    self._update_selection()  # update plot as well
+                else:
+                    self._show_info("Select point(s) to delete")
             else:
-                self._show_info("Select point(s) to delete")
-        else:
-            self._show_info("cannot delete point when locked!", 'red')
+                self._show_info("cannot delete point when locked!", 'red')
     
     def _add_point(self, kpt):
         sm = self.params.sm

{ipyvasp-0.9.95 → ipyvasp-0.9.97}/ipyvasp.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: ipyvasp
-Version: 0.9.95
+Version: 0.9.97
 Summary: A processing tool for VASP DFT input/output processing in Jupyter Notebook.
 Home-page: https://github.com/massgh/ipyvasp
 Author: Abdul Saboor
@@ -34,6 +34,7 @@ Requires-Dist: nglview>=3.0.4; extra == "extra"
 # IPyVASP
 
 [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.15482350.svg)](https://doi.org/10.5281/zenodo.15482350)
+[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/asaboor-gh/ipyvasp/HEAD?urlpath=%2Fdoc%2Ftree%2Fdocs%2Fsource%2Fnotebooks%2Fquickstart.ipynb)
 [![PyPI Downloads](https://static.pepy.tech/badge/ipyvasp)](https://pepy.tech/projects/ipyvasp)
 
 An VASP-based DFT pre and post processing tool.
@@ -46,6 +47,10 @@ cd ipyvasp
 pip install -e .
 ```
 
+## Documentataion
+- [Latest at Github Pages](https://asaboor-gh.github.io/ipyvasp/) 
+- [Read the Docs](https://ipyvasp.readthedocs.io/)
+
 ## Showcase Examples
 Plot 2D BZ layer on top of 3D!
 
@@ -77,4 +82,4 @@ Apply operations on POSCAR and simultaneously view using plotly's `FigureWidget`
 ![snip](op.png)
 
 ![BandsWidget](Bands.jpg)
-More coming soon!
+More coming soon! You can test these examples on [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/asaboor-gh/ipyvasp/HEAD?urlpath=%2Fdoc%2Ftree%2Fdocs%2Fsource%2Fnotebooks%2Fquickstart.ipynb).

{ipyvasp-0.9.95 → ipyvasp-0.9.97}/setup.py

@@ -94,6 +94,18 @@ class UploadCommand(Command):
 
         sys.exit()
 
+class BuildDocsCommand(UploadCommand):
+    description = "Build docs using sphinx-build."
+    user_options = []
+
+    def run(self):
+        source = os.path.join(here, "docs","source")
+        build = os.path.join(here, "docs","build", "html")
+        os.makedirs(build, exist_ok=True)
+        ret = os.system(f"sphinx-build -b html {source} {build}")
+        if ret != 0:
+            raise RuntimeError("Sphinx docs build failed!")
+        print(f"✅ Documentation successfully built as {build}")
 
 # Where the magic happens:
 setup(
@@ -126,6 +138,7 @@ setup(
     # $ setup.py publish support.
     cmdclass={
         "upload": UploadCommand,
+        "build_docs": BuildDocsCommand,
     },
     # for command line interface
     entry_points={

ipyvasp-0.9.95/ipyvasp/_version.py

@@ -1 +0,0 @@
-__version__ = "0.9.95"