pypsbuilder 2.6.0__tar.gz → 2.6.2__tar.gz

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/CHANGELOG.md

@@ -1,11 +1,20 @@
 # Changelog
 All notable pypsbuilder changes.
 
+## [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
+
 ## [2.6.0] - 2025-01-23
 Initial PyQt6 release
 
 ## [2.5.3] - 2024-12-18
-Latest version using PyQt5
+Latest version using PyQt5 only
 
 ## [2.5.0] - 2024-12-13
 ### Fixed

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pypsbuilder
-Version: 2.6.0
+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
@@ -45,7 +45,7 @@ Requires-Python: >=3.10
 Requires-Dist: matplotlib>=3.8
 Requires-Dist: networkx
 Requires-Dist: numpy
-Requires-Dist: pyqt6
+Requires-Dist: qtpy
 Requires-Dist: scikit-image
 Requires-Dist: scipy
 Requires-Dist: shapely>=2
@@ -53,6 +53,7 @@ Requires-Dist: tqdm
 Provides-Extra: dev
 Requires-Dist: black; extra == 'dev'
 Requires-Dist: jupyterlab; extra == 'dev'
+Requires-Dist: pyqt6; extra == 'dev'
 Requires-Dist: pytest; extra == 'dev'
 Requires-Dist: pytest-cov; extra == 'dev'
 Requires-Dist: sphinx; extra == 'dev'
@@ -62,8 +63,12 @@ Provides-Extra: docs
 Requires-Dist: sphinx; extra == 'docs'
 Requires-Dist: sphinx-mdinclude; extra == 'docs'
 Requires-Dist: sphinx-rtd-theme; extra == 'docs'
-Provides-Extra: extra
-Requires-Dist: jupyterlab; extra == 'extra'
+Provides-Extra: jupyter
+Requires-Dist: jupyterlab; extra == 'jupyter'
+Provides-Extra: pyqt5
+Requires-Dist: pyqt5; extra == 'pyqt5'
+Provides-Extra: pyqt6
+Requires-Dist: pyqt6; extra == 'pyqt6'
 Provides-Extra: tests
 Requires-Dist: pytest; extra == 'tests'
 Requires-Dist: pytest-cov; extra == 'tests'
@@ -82,38 +87,38 @@ 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
+    pip install pypsbuilder[pyqt6]
 
-Jupyter Lab could be also installed providing extra option:
+JupyterLab could also be installed providing the `jupyter` option:
 
-    pip install pypsbuilder[extra]
+    pip install pypsbuilder[pyqt6,jupyter]
 
 ## I'm using conda or mamba to manage environments
 
 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:
 
@@ -123,22 +128,15 @@ or
 
     mamba activate pyps
 
-and install with pip. Note that PyQt6 is not yet available in conda repositories,
-so we need to use the 2.5.3 version:
-
-    pip install pypsbuilder==2.5.3
-
-#### Note for macOS
-
-If you have environment created with conda/mamba install the pypsbuilder with:
-
-    pip install pypsbuilder==2.5.3 --no-deps
+and install with pip. As PyQt is already installed with mamba/conda, we will install **pypsbuilder** without UI framework:
 
-#### Install master version
-
-You can install latest version from master branch on GitHub:
+    pip install pypsbuilder
 
-    pip install https://github.com/ondrolexa/pypsbuilder/archive/master.zip
+> [!NOTE]
+> If you encounter errors during install, try to install without upgrading dependencies:
+> ```
+> pip install --no-deps pypsbuilder
+> ```
 
 #### Upgrade existing installation
 
@@ -146,7 +144,7 @@ To upgrade an already installed **pypsbuilder** to the latest release:
 
     pip install --upgrade pypsbuilder
 
-or to latest master version:
+or to the latest master version:
 
     pip install --upgrade https://github.com/ondrolexa/pypsbuilder/archive/master.zip
 

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/README.md

@@ -11,38 +11,38 @@ 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
+    pip install pypsbuilder[pyqt6]
 
-Jupyter Lab could be also installed providing extra option:
+JupyterLab could also be installed providing the `jupyter` option:
 
-    pip install pypsbuilder[extra]
+    pip install pypsbuilder[pyqt6,jupyter]
 
 ## I'm using conda or mamba to manage environments
 
 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:
 
@@ -52,22 +52,15 @@ or
 
     mamba activate pyps
 
-and install with pip. Note that PyQt6 is not yet available in conda repositories,
-so we need to use the 2.5.3 version:
-
-    pip install pypsbuilder==2.5.3
-
-#### Note for macOS
-
-If you have environment created with conda/mamba install the pypsbuilder with:
-
-    pip install pypsbuilder==2.5.3 --no-deps
+and install with pip. As PyQt is already installed with mamba/conda, we will install **pypsbuilder** without UI framework:
 
-#### Install master version
-
-You can install latest version from master branch on GitHub:
+    pip install pypsbuilder
 
-    pip install https://github.com/ondrolexa/pypsbuilder/archive/master.zip
+> [!NOTE]
+> If you encounter errors during install, try to install without upgrading dependencies:
+> ```
+> pip install --no-deps pypsbuilder
+> ```
 
 #### Upgrade existing installation
 
@@ -75,7 +68,7 @@ To upgrade an already installed **pypsbuilder** to the latest release:
 
     pip install --upgrade pypsbuilder
 
-or to latest master version:
+or to the latest master version:
 
     pip install --upgrade https://github.com/ondrolexa/pypsbuilder/archive/master.zip
 

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/pyproject.toml

@@ -25,7 +25,7 @@ classifiers = [
 dependencies = [
     "numpy",
     "matplotlib>=3.8",
-    "pyqt6",
+    "qtpy",
     "scipy",
     "scikit-image",
     "networkx",
@@ -34,13 +34,12 @@ dependencies = [
 ]
 
 [project.optional-dependencies]
-extra = ["jupyterlab"]
+pyqt5 = ["pyqt5"]
+pyqt6 = ["pyqt6"]
+jupyter = ["jupyterlab"]
 tests = ["pytest", "pytest-cov"]
 docs = ["sphinx", "sphinx_mdinclude", "sphinx_rtd_theme"]
-dev = [
-    "pypsbuilder[extra,tests,docs]",
-    "black",
-]
+dev = ["pypsbuilder[pyqt6,jupyter,tests,docs]", "black"]
 
 [project.urls]
 Homepage = "https://github.com/ondrolexa/pypsbuilder"

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/pypsbuilder/__init__.py

@@ -22,7 +22,7 @@ __all__ = (
     "get_tcapi",
 )
 
-__version__ = "2.6.0"
+__version__ = "2.6.2"
 __author__ = "Ondrej Lexa"
 __copyright__ = "© Ondrej Lexa 2016-2025"
 __email__ = "lexa.ondrej@gmail.com"

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/pypsbuilder/psbuilders.py

@@ -15,9 +15,10 @@ import itertools
 import warnings
 
 import importlib.resources as ires
-from PyQt6 import QtCore, QtGui, QtWidgets
-from PyQt6.QtCore import QT_VERSION_STR
-from PyQt6.QtCore import PYQT_VERSION_STR
+from qtpy import QtCore, QtGui, QtWidgets
+from qtpy import QT_VERSION
+from qtpy import API as QTPY_API
+
 
 import numpy as np
 import matplotlib
@@ -1347,7 +1348,7 @@ class BuildersBase(QtWidgets.QMainWindow):
                             self.unimodel.appendRow(id_uni, uni)
                             self.uni_connect(id_uni, candidates)
                             self.changed = True
-                            # self.unisel.select(idx, QtCore.QItemSelectionModel.ClearAndSelect | QtCore.QItemSelectionModel.Rows)
+                            # self.unisel.select(idx, QtCore.QItemSelectionModel.SelectionFlag.ClearAndSelect | QtCore.QItemSelectionModel.SelectionFlag.Rows)
                             idx = self.unimodel.getIndexID(id_uni)
                             self.uniview.selectRow(idx.row())
                             self.uniview.scrollToBottom()
@@ -1950,8 +1951,7 @@ class PTBuilder(BuildersBase, Ui_PTBuilder):
 
     def app_settings(self, write=False):
         # Applicatiom settings
-        qtver = QtCore.PYQT_VERSION_STR.split(".")[0]
-        builder_settings = QtCore.QSettings("LX", f"ptbuilder pyqt{qtver}")
+        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())
@@ -2713,7 +2713,7 @@ class PTBuilder(BuildersBase, Ui_PTBuilder):
                         self.unimodel.appendRow(id_uni, uni)
                         self.uniview.resizeColumnsToContents()
                         self.changed = True
-                        # self.unisel.select(idx, QtCore.QItemSelectionModel.ClearAndSelect | QtCore.QItemSelectionModel.Rows)
+                        # self.unisel.select(idx, QtCore.QItemSelectionModel.SelectionFlag.ClearAndSelect | QtCore.QItemSelectionModel.SelectionFlag.Rows)
                         idx = self.unimodel.getIndexID(id_uni)
                         self.uniview.selectRow(idx.row())
                         self.uniview.scrollToBottom()
@@ -3686,7 +3686,7 @@ class TXBuilder(BuildersBase, Ui_TXBuilder):
                         self.unimodel.appendRow(id_uni, uni)
                         self.uniview.resizeColumnsToContents()
                         self.changed = True
-                        # self.unisel.select(idx, QtCore.QItemSelectionModel.ClearAndSelect | QtCore.QItemSelectionModel.Rows)
+                        # self.unisel.select(idx, QtCore.QItemSelectionModel.SelectionFlag.ClearAndSelect | QtCore.QItemSelectionModel.SelectionFlag.Rows)
                         idx = self.unimodel.getIndexID(id_uni)
                         self.uniview.selectRow(idx.row())
                         self.uniview.scrollToBottom()
@@ -4682,7 +4682,7 @@ class PXBuilder(BuildersBase, Ui_PXBuilder):
                         self.unimodel.appendRow(id_uni, uni)
                         self.uniview.resizeColumnsToContents()
                         self.changed = True
-                        # self.unisel.select(idx, QtCore.QItemSelectionModel.ClearAndSelect | QtCore.QItemSelectionModel.Rows)
+                        # self.unisel.select(idx, QtCore.QItemSelectionModel.SelectionFlag.ClearAndSelect | QtCore.QItemSelectionModel.SelectionFlag.Rows)
                         idx = self.unimodel.getIndexID(id_uni)
                         self.uniview.selectRow(idx.row())
                         self.uniview.scrollToBottom()
@@ -4895,7 +4895,7 @@ class InvModel(QtCore.QAbstractTableModel):
             return None
         inv = self.ps.invpoints[self.invlist[index.row()]]
         # highlight not finished invpoints - move to plot ???
-        # if role == QtCore.Qt.ForegroundRole:
+        # if role == QtCore.Qt.ItemDataRole.ForegroundRole:
         #     all_uni = inv.all_unilines()
         #     isnew1, id = self.ps.getiduni(UniLine(phases=all_uni[0][0], out=all_uni[0][1]))
         #     isnew2, id = self.ps.getiduni(UniLine(phases=all_uni[1][0], out=all_uni[1][1]))
@@ -5244,10 +5244,7 @@ class AboutDialog(QtWidgets.QDialog):
         author.setAlignment(QtCore.Qt.AlignmentFlag.AlignCenter)
 
         swinfo = QtWidgets.QLabel(
-            "Python:{} Qt:{} PyQt:{}".format(
-                sys.version.split()[0], QT_VERSION_STR, PYQT_VERSION_STR
-            )
-        )
+            f"Python:{sys.version.split()[0]} {QTPY_API} {QT_VERSION}")
         swinfo.setAlignment(QtCore.Qt.AlignmentFlag.AlignCenter)
 
         github = QtWidgets.QLabel(

{pypsbuilder-2.6.0 → 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-2.6.0 → 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"""

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/pypsbuilder/ui/compile_ui.sh

@@ -7,3 +7,4 @@ pyuic6 adduni.ui > ../ui_adduni.py
 pyuic6 addinv.ui > ../ui_addinv.py
 pyuic6 uniguess.ui > ../ui_uniguess.py
 
+# do not forget to replace PyQt6 with qtpy in all generated .py files

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/pypsbuilder/ui_addinv.py

@@ -6,7 +6,7 @@
 # run again.  Do not edit this file unless you know what you are doing.
 
 
-from PyQt6 import QtCore, QtGui, QtWidgets
+from qtpy import QtCore, QtGui, QtWidgets
 
 
 class Ui_AddInv(object):

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/pypsbuilder/ui_adduni.py

@@ -6,7 +6,7 @@
 # run again.  Do not edit this file unless you know what you are doing.
 
 
-from PyQt6 import QtCore, QtGui, QtWidgets
+from qtpy import QtCore, QtGui, QtWidgets
 
 
 class Ui_AddUni(object):

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/pypsbuilder/ui_ptbuilder.py

@@ -6,7 +6,7 @@
 # run again.  Do not edit this file unless you know what you are doing.
 
 
-from PyQt6 import QtCore, QtGui, QtWidgets
+from qtpy import QtCore, QtGui, QtWidgets
 
 
 class Ui_PTBuilder(object):

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/pypsbuilder/ui_pxbuilder.py

@@ -6,7 +6,7 @@
 # run again.  Do not edit this file unless you know what you are doing.
 
 
-from PyQt6 import QtCore, QtGui, QtWidgets
+from qtpy import QtCore, QtGui, QtWidgets
 
 
 class Ui_PXBuilder(object):

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/pypsbuilder/ui_txbuilder.py

@@ -6,7 +6,7 @@
 # run again.  Do not edit this file unless you know what you are doing.
 
 
-from PyQt6 import QtCore, QtGui, QtWidgets
+from qtpy import QtCore, QtGui, QtWidgets
 
 
 class Ui_TXBuilder(object):

{pypsbuilder-2.6.0 → pypsbuilder-2.6.2}/pypsbuilder/ui_uniguess.py

@@ -6,7 +6,7 @@
 # run again.  Do not edit this file unless you know what you are doing.
 
 
-from PyQt6 import QtCore, QtGui, QtWidgets
+from qtpy import QtCore, QtGui, QtWidgets
 
 
 class Ui_UniGuess(object):