pypsbuilder 2.6.1__tar.gz → 2.6.2__tar.gz

{pypsbuilder-2.6.1 → pypsbuilder-2.6.2}/CHANGELOG.md

@@ -1,7 +1,11 @@
 # Changelog
 All notable pypsbuilder changes.
 
-## [2.6.1] - master
+## [2.6.2] - 2025-02-11
+### Fixed
+ - f-string py3.10 bugfix
+
+## [2.6.1] - 2025-01-24
 ### Added
  - Both PyQt5 and PyQt6 are supported and need to be specified as
    extra option during installation

{pypsbuilder-2.6.1 → pypsbuilder-2.6.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pypsbuilder
-Version: 2.6.1
+Version: 2.6.2
 Summary: THERMOCALC front-end for constructing and analyzing PT pseudosections
 Project-URL: Homepage, https://github.com/ondrolexa/pypsbuilder
 Project-URL: Documentation, https://pypsbuilder.readthedocs.io
@@ -87,26 +87,26 @@ Not that simplistic THERMOCALC front-end for constructing and visualizations of
 It is strongly suggested to install **pypsbuilder** into separate environment. You can create
 Python virtual environment. For Linux and macOS use:
 
-    python -m venv pyps
-    source pyps/bin/activate
+    python -m venv .venv
+    source .venv/bin/activate
 
-for Windows use PowerShell:
+for Windows use Command Prompt or PowerShell:
 
-    py -m venv pyps
-    pyps\Scripts\activate
+    python -m venv .venv
+    .venv\Scripts\activate
 
 > [!NOTE]
-> On Microsoft Windows, it may be required to enable the activate script by setting the execution policy for the user.
+> On Microsoft Windows, it may be required to set the execution policy in PowerShell for the user.
 > You can do this by issuing the following PowerShell command:
 > ```
-> PS C:\> Set-ExecutionPolicy -ExecutionPolicy RemoteSigned -Scope CurrentUser
+> Set-ExecutionPolicy -ExecutionPolicy RemoteSigned -Scope CurrentUser
 > ```
 
-and install **pypsbuilder** using pip within the environment:
+and install **pypsbuilder** using pip within the environment. **You should choose the UI framework using option** `pyqt5` **or** `pyqt6`:
 
     pip install pypsbuilder[pyqt6]
 
-Providing jupyter option, JupyterLab will be also installed:
+JupyterLab could also be installed providing the `jupyter` option:
 
     pip install pypsbuilder[pyqt6,jupyter]
 
@@ -114,11 +114,11 @@ Providing jupyter option, JupyterLab will be also installed:
 
 If you have already have conda or mamba installed, you can create environment with:
 
-    conda create -n pyps numpy matplotlib scipy networkx shapely pyqt tqdm jupyterlab
+    conda create -n pyps python=3.12.8 matplotlib shapely pyqt tqdm scikit-image qtpy jupyterlab
 
 or
 
-    mamba create -n pyps numpy matplotlib scipy networkx shapely pyqt tqdm jupyterlab
+    mamba create -n pyps python=3.12.8 matplotlib shapely pyqt tqdm scikit-image qtpy jupyterlab
 
 Then activate the new environment:
 
@@ -128,15 +128,14 @@ or
 
     mamba activate pyps
 
-and install with pip. Note that PyQt6 is not yet available in conda repositories,
-so we need to use the pyqt5 version:
+and install with pip. As PyQt is already installed with mamba/conda, we will install **pypsbuilder** without UI framework:
 
-    pip install pypsbuilder[pyqt5]
+    pip install pypsbuilder
 
 > [!NOTE]
 > If you encounter errors during install, try to install without upgrading dependencies:
 > ```
-> pip install --no-deps pypsbuilder[pyqt5]
+> pip install --no-deps pypsbuilder
 > ```
 
 #### Upgrade existing installation

{pypsbuilder-2.6.1 → pypsbuilder-2.6.2}/README.md

@@ -11,26 +11,26 @@ Not that simplistic THERMOCALC front-end for constructing and visualizations of
 It is strongly suggested to install **pypsbuilder** into separate environment. You can create
 Python virtual environment. For Linux and macOS use:
 
-    python -m venv pyps
-    source pyps/bin/activate
+    python -m venv .venv
+    source .venv/bin/activate
 
-for Windows use PowerShell:
+for Windows use Command Prompt or PowerShell:
 
-    py -m venv pyps
-    pyps\Scripts\activate
+    python -m venv .venv
+    .venv\Scripts\activate
 
 > [!NOTE]
-> On Microsoft Windows, it may be required to enable the activate script by setting the execution policy for the user.
+> On Microsoft Windows, it may be required to set the execution policy in PowerShell for the user.
 > You can do this by issuing the following PowerShell command:
 > ```
-> PS C:\> Set-ExecutionPolicy -ExecutionPolicy RemoteSigned -Scope CurrentUser
+> Set-ExecutionPolicy -ExecutionPolicy RemoteSigned -Scope CurrentUser
 > ```
 
-and install **pypsbuilder** using pip within the environment:
+and install **pypsbuilder** using pip within the environment. **You should choose the UI framework using option** `pyqt5` **or** `pyqt6`:
 
     pip install pypsbuilder[pyqt6]
 
-Providing jupyter option, JupyterLab will be also installed:
+JupyterLab could also be installed providing the `jupyter` option:
 
     pip install pypsbuilder[pyqt6,jupyter]
 
@@ -38,11 +38,11 @@ Providing jupyter option, JupyterLab will be also installed:
 
 If you have already have conda or mamba installed, you can create environment with:
 
-    conda create -n pyps numpy matplotlib scipy networkx shapely pyqt tqdm jupyterlab
+    conda create -n pyps python=3.12.8 matplotlib shapely pyqt tqdm scikit-image qtpy jupyterlab
 
 or
 
-    mamba create -n pyps numpy matplotlib scipy networkx shapely pyqt tqdm jupyterlab
+    mamba create -n pyps python=3.12.8 matplotlib shapely pyqt tqdm scikit-image qtpy jupyterlab
 
 Then activate the new environment:
 
@@ -52,15 +52,14 @@ or
 
     mamba activate pyps
 
-and install with pip. Note that PyQt6 is not yet available in conda repositories,
-so we need to use the pyqt5 version:
+and install with pip. As PyQt is already installed with mamba/conda, we will install **pypsbuilder** without UI framework:
 
-    pip install pypsbuilder[pyqt5]
+    pip install pypsbuilder
 
 > [!NOTE]
 > If you encounter errors during install, try to install without upgrading dependencies:
 > ```
-> pip install --no-deps pypsbuilder[pyqt5]
+> pip install --no-deps pypsbuilder
 > ```
 
 #### Upgrade existing installation

{pypsbuilder-2.6.1 → pypsbuilder-2.6.2}/pypsbuilder/__init__.py

@@ -22,7 +22,7 @@ __all__ = (
     "get_tcapi",
 )
 
-__version__ = "2.6.1"
+__version__ = "2.6.2"
 __author__ = "Ondrej Lexa"
 __copyright__ = "© Ondrej Lexa 2016-2025"
 __email__ = "lexa.ondrej@gmail.com"

{pypsbuilder-2.6.1 → pypsbuilder-2.6.2}/pypsbuilder/psbuilders.py

@@ -1951,7 +1951,7 @@ class PTBuilder(BuildersBase, Ui_PTBuilder):
 
     def app_settings(self, write=False):
         # Applicatiom settings
-        builder_settings = QtCore.QSettings("LX", f"ptbuilder {QTPY_API}{QT_VERSION.split(".")[0]}")
+        builder_settings = QtCore.QSettings("LX", f"ptbuilder {QTPY_API}{QT_VERSION.split('.')[0]}")
         if write:
             builder_settings.setValue("steps", self.spinSteps.value())
             builder_settings.setValue("precision", self.spinPrec.value())

{pypsbuilder-2.6.1 → pypsbuilder-2.6.2}/pypsbuilder/psclasses.py

@@ -8,10 +8,7 @@ outputs and storage of calculated invariant points and univariant lines.
 # author: Ondrej Lexa
 # website: https://github.com/ondrolexa/pypsbuilder
 
-try:
-    import cPickle as pickle
-except ImportError:
-    import pickle
+import pickle
 import gzip
 import numpy as np
 import matplotlib.pyplot as plt

{pypsbuilder-2.6.1 → pypsbuilder-2.6.2}/pypsbuilder/psexplorer.py

@@ -1220,55 +1220,6 @@ class PS:
                 f'{ix + 1}: {" ".join(sorted([self.abbr.get(sa, sa) for sa in self.identify(x, y)]))}'
             )
 
-    def pointcalc(self, label=False, skiplabels=0, labelfs=6):
-        fig, ax = plt.subplots()
-        ax.autoscale_view()
-        self.add_overlay(ax, label=label, skiplabels=skiplabels, fontsize=labelfs)
-        ax.set_xlim(self.xrange)
-        ax.set_ylim(self.yrange)
-        ax.format_coord = self.format_coord
-        x, y = plt.ginput(1)[0]
-        plt.close(fig)
-        k = self.identify(x, y)
-        if k is not None:
-            last_inv = 0
-            for ix, ps in self.sections.items():
-                # update guesses from closest inv point
-                dst = sys.float_info.max
-                for id_inv, inv in ps.invpoints.items():
-                    d2 = (inv._x - x) ** 2 + (inv._y - y) ** 2
-                    if d2 < dst:
-                        dst = d2
-                        id_close = id_inv
-                if id_close != last_inv and not ps.invpoints[id_close].manual:
-                    self.tc.update_scriptfile(guesses=ps.invpoints[id_close].ptguess())
-                    last_inv = id_close
-            tcout, ans = self.tc.calc_assemblage(k.difference(self.tc.excess), y, x)
-            status, res, output = self.tc.parse_logfile()
-            if res is None:
-                for ix, ps in self.sections.items():
-                    # update guesses from closest uni line point
-                    dst = sys.float_info.max
-                    for id_uni in self.unilists[ix][k]:
-                        uni = ps.unilines[id_uni]
-                        if not uni.manual:
-                            for vix in list(range(len(uni._x))[uni.used]):
-                                d2 = (uni._x[vix] - x) ** 2 + (uni._y[vix] - y) ** 2
-                                if d2 < dst:
-                                    dst = d2
-                                    id_close = id_uni
-                                    vix_close = vix
-                    self.tc.update_scriptfile(
-                        guesses=ps.unilines[id_close].ptguess(idx=vix_close)
-                    )
-                tcout, ans = self.tc.calc_assemblage(k.difference(self.tc.excess), y, x)
-                status, res, output = self.tc.parse_logfile()
-            if res is None:
-                print("Calculation failed")
-            else:
-                print(output)
-                return res[0]
-
     def remove_grid_data(self, key, phase, expr):
         """Remove calculated data from grid and mark as failed
 
@@ -2769,6 +2720,60 @@ class PTPS(PS):
         )
         plt.show()
 
+    def pointcalc(self, t=None, p=None, label=False, skiplabels=0, labelfs=6, show_output=False):
+        if t is None or p is None:
+            fig, ax = plt.subplots()
+            ax.autoscale_view()
+            self.add_overlay(ax, label=label, skiplabels=skiplabels, fontsize=labelfs)
+            ax.set_xlim(self.xrange)
+            ax.set_ylim(self.yrange)
+            ax.format_coord = self.format_coord
+            t, p = plt.ginput(1)[0]
+            plt.close(fig)
+        k = self.identify(t, p)
+        if k is not None:
+            last_inv = 0
+            id_close = 0
+            for ix, ps in self.sections.items():
+                # update guesses from closest inv point
+                dst = sys.float_info.max
+                for id_inv, inv in ps.invpoints.items():
+                    d2 = (inv._x - t) ** 2 + (inv._y - p) ** 2
+                    if d2 < dst:
+                        dst = d2
+                        id_close = id_inv
+                if id_close != last_inv and not ps.invpoints[id_close].manual:
+                    self.tc.update_scriptfile(guesses=ps.invpoints[id_close].ptguess())
+                    last_inv = id_close
+            tcout, ans = self.tc.calc_assemblage(k.difference(self.tc.excess), p, t)
+            status, res, output = self.tc.parse_logfile()
+            if res is None:
+                for ix, ps in self.sections.items():
+                    # update guesses from closest uni line point
+                    dst = sys.float_info.max
+                    for id_uni in self.unilists[ix][k]:
+                        uni = ps.unilines[id_uni]
+                        if not uni.manual:
+                            for vix in list(range(len(uni._x))[uni.used]):
+                                d2 = (uni._x[vix] - t) ** 2 + (uni._y[vix] - p) ** 2
+                                if d2 < dst:
+                                    dst = d2
+                                    id_close = id_uni
+                                    vix_close = vix
+                    self.tc.update_scriptfile(
+                        guesses=ps.unilines[id_close].ptguess(idx=vix_close)
+                    )
+                tcout, ans = self.tc.calc_assemblage(k.difference(self.tc.excess), p, t)
+                status, res, output = self.tc.parse_logfile()
+            if res is None:
+                print("Calculation failed")
+            else:
+                if show_output:
+                    print(output)
+                return res[0]
+        else:
+            print(f"No assembplage found at T={t}, p-{p}")
+
 
 class TXPS(PS):
     """Class to postprocess txbuilder project"""