Merge remote-tracking branch 'origin/main' into resolutionLookup

to bring upto v5815

Author: briantoby

GSASII/GSASIIpath.py

@@ -2031,10 +2031,11 @@ def openInNewTerm(project=None,g2script=None,pythonapp=sys.executable):
 
 if __name__ == '__main__':
     '''What follows is called to update (or downdate) GSAS-II in a
-    separate process.
+    separate process. This is also called for background tasks such as 
+    performing a "git fetch" task or getting current tag information from
+    github.
     '''
     # check what type of update is being called for
-    import git
     gitUpdate = False
     preupdateType = None
     updateType = None
@@ -2096,6 +2097,11 @@ def openInNewTerm(project=None,g2script=None,pythonapp=sys.executable):
                 print('invalid form for --git-regress')
                 help = True
                 break
+            try:
+                import git
+            except:
+                print('Import of git failed for --git-regress')
+                sys.exit()
             gitversion = argsplit[1]
             # make sure the version or tag supplied is valid and convert to
             # a full sha hash
@@ -2242,23 +2248,23 @@ def openInNewTerm(project=None,g2script=None,pythonapp=sys.executable):
         fp.close()
         sys.exit()
 
+    try:
+        import git
+    except:
+        print(f'Import of git failed. {updateType} update mode {preupdateType}')
+        sys.exit()
+        
     if gitUpdate:
         import time
         time.sleep(1) # delay to give the main process a chance to exit
                       # so we don't change code for a running process
                       # windows does not like that
-        try:
-            import git
-        except:
-            print('git import failed')
-            sys.exit()
-        try:
-            g2repo = openGitRepo(path2GSAS2)
-        except Exception as msg:
-            print(f'Update failed with message {msg}\n')
-            sys.exit()
-        print('git repo opened')
-
+    try:
+        g2repo = openGitRepo(path2GSAS2)
+    except Exception as msg:
+        print(f'Update failed with message {msg}\n')
+        sys.exit()
+    print('git repo opened')
     if preupdateType == 'reset':
         # --git-reset   (preupdateType = 'reset')
         print('Restoring locally-updated GSAS-II files to original status')

GSASII/GSASIIphsGUI.py

@@ -6031,7 +6031,7 @@ def UpdateRMC(event=None):
         global runFile
         def OnRMCselect(event):
             G2frame.RMCchoice = RMCsel.GetStringSelection()
-            wx.CallLater(100,UpdateRMC)
+            wx.CallLater(200,UpdateRMC)
 
         def GetAtmChoice(pnl,RMCPdict):
 
@@ -10388,40 +10388,42 @@ def SetChoice(name,c,n=0):
             elif r < 0:                          #dclick on col label
                 sel = -1
                 if drawAtoms.GetColLabelValue(c) == 'Style':
-                    dlg = wx.SingleChoiceDialog(G2frame,'Select','Atom drawing style',styleChoice)
-                    if dlg.ShowModal() == wx.ID_OK:
-                        sel = dlg.GetSelection()
-                        parms = styleChoice[sel]
-                        for r in range(len(atomData)):
-                            atomData[r][c] = parms
-                            drawAtoms.SetCellValue(r,c,parms)
-                        FindBondsDraw(data)
-#                        G2plt.PlotStructure(G2frame,data)
-                    dlg.Destroy()
+                    DrawAtomStyle(event)
+#                     dlg = wx.SingleChoiceDialog(G2frame,'Select','Atom drawing style',styleChoice)
+#                     if dlg.ShowModal() == wx.ID_OK:
+#                         sel = dlg.GetSelection()
+#                         parms = styleChoice[sel]
+#                         for r in range(len(atomData)):
+#                             atomData[r][c] = parms
+#                             drawAtoms.SetCellValue(r,c,parms)
+#                         FindBondsDraw(data)
+# #                        G2plt.PlotStructure(G2frame,data)
+#                     dlg.Destroy()
                 elif drawAtoms.GetColLabelValue(c) == 'Label':
-                    dlg = wx.SingleChoiceDialog(G2frame,'Select','Atom labelling style',labelChoice)
-                    if dlg.ShowModal() == wx.ID_OK:
-                        sel = dlg.GetSelection()
-                        parms = labelChoice[sel]
-                        for r in range(len(atomData)):
-                            atomData[r][c] = parms
-                            drawAtoms.SetCellValue(r,c,parms)
-                    dlg.Destroy()
+                    DrawAtomLabel(event)
+                    # dlg = wx.SingleChoiceDialog(G2frame,'Select','Atom labelling style',labelChoice)
+                    # if dlg.ShowModal() == wx.ID_OK:
+                    #     sel = dlg.GetSelection()
+                    #     parms = labelChoice[sel]
+                    #     for r in range(len(atomData)):
+                    #         atomData[r][c] = parms
+                    #         drawAtoms.SetCellValue(r,c,parms)
+                    # dlg.Destroy()
                 elif drawAtoms.GetColLabelValue(c) == 'Color':
-                    colors = wx.ColourData()
-                    colors.SetChooseFull(True)
-                    dlg = wx.ColourDialog(G2frame.GetParent(),colors)
-                    if dlg.ShowModal() == wx.ID_OK:
-                        color = dlg.GetColourData().GetColour()[:3]
-                        attr = wg.GridCellAttr()                #needs to be here - gets lost if outside loop!
-                        attr.SetReadOnly(True)
-                        attr.SetBackgroundColour(color)
-                        for r in range(len(atomData)):
-                            atomData[r][c] = color
-                            drawingData['Atoms'][r][c] = color
-                            drawAtoms.SetAttr(r,c,attr)
-                        UpdateDrawAtoms()
-                    dlg.Destroy()
+                    DrawAtomColor(event)
+                    # colors = wx.ColourData()
+                    # colors.SetChooseFull(True)
+                    # dlg = wx.ColourDialog(G2frame.GetParent(),colors)
+                    # if dlg.ShowModal() == wx.ID_OK:
+                    #     color = dlg.GetColourData().GetColour()[:3]
+                    # dlg.Destroy()
+                    # attr = wg.GridCellAttr()                #needs to be here - gets lost if outside loop!
+                    # attr.SetReadOnly(True)
+                    # attr.SetBackgroundColour(color)
+                    # for r in range(len(atomData)):
+                    #     atomData[r][c] = color
+                    #     drawingData['Atoms'][r][c] = color
+                    #     drawAtoms.SetAttr(r,c,attr)
                 elif drawAtoms.GetColLabelValue(c) == 'Residue':
                     SetChoice('Residue',c,3)
                 elif drawAtoms.GetColLabelValue(c) == '1-letter':

GSASII/git_verinfo.py

@@ -1,10 +1,10 @@
 # -*- coding: utf-8 -*-
 # git_verinfo.py - GSAS-II version info from git
-# Do not edit, generated by 'GSASII/install/incr-version.py' script
-# Created 2025-06-22 13:56:06.036268-05:00
+# Do not edit, generated by 'install/incr-version.py' script
+# Created 2025-06-25 08:39:57.064953-05:00
 
-git_version = '17c29ab4017926c607850a1989e82337049e1534'
-git_tags = ['5814']
-git_prevtaggedversion = 'c37c8ba4cdc73a97e0a8ccf9d9f3c95758502e5b'
-git_prevtags = ['5813']
-git_versiontag = 'v5.4.7'
+git_version = 'b91e5e3deb601e475ec53be39b25a82ad3491386'
+git_tags = ['5815']
+git_prevtaggedversion = '17c29ab4017926c607850a1989e82337049e1534'
+git_prevtags = ['5814']
+git_versiontag = 'v5.4.8'

sources/powsubs/psvfcjexpo.for

@@ -25,6 +25,8 @@
 
 !INCLUDE STATEMENTS:
       REAL*4 SIND,COSD,TAND,ACOSD
+! External function declarations
+      EXTERNAL SIND,COSD,TAND,ACOSD
 
 !LOCAL VARIABLES:
 
@@ -310,4 +312,4 @@ C
       HLPART = DYDB
       RETURN
       END
-      
+

sources/powsubs/psvfcjo.for

@@ -25,6 +25,8 @@
 
 !INCLUDE STATEMENTS:
       REAL*4 SIND,COSD,TAND,ACOSD
+! External function declarations 
+      EXTERNAL SIND,COSD,TAND,ACOSD
 
 !LOCAL VARIABLES:
 
@@ -41,6 +43,7 @@
       REAL*4        DYDB                
       REAL*4        SIN2THETA2          ! sin(2theta)**2
       REAL*4        COS2THETA           ! cos(2theta)
+      REAL*4        COS2THETA2          ! cos(2theta)**2
       REAL*4        SIN2THETA           ! sin(2THETA)
       REAL*4        SINDELTA            ! sin(Delta)
       REAL*4        COSDELTA            ! cos(Delta)

sources/pypowder.for

@@ -141,6 +141,7 @@ Cf2py depend(NPTS) PRFUNC
       INTEGER*4 NPTS
       REAL*4 TTHETA,SIG,GAM,SPH
       REAL*4 DTT(0:NPTS-1),PRFUNC(0:NPTS-1)
+      REAL*4 DPRDT,SIGPART,GAMPART,SLPART,HLPART
       DO I=0,NPTS-1
         CALL PSVFCJO(DTT(I)*100.,TTHETA*100.,SIG,GAM,SPH/2.0,SPH/2.0,
      1     PRFUNC(I),DPRDT,SIGPART,GAMPART,SLPART,HLPART)

sources/texturesubs/plmpsi.for

@@ -11,6 +11,9 @@
       REAL*4        P                   !Value returned
 
 !INCLUDE STATEMENTS:
+      REAL*4 SIND,COSD 
+! External function declarations
+      EXTERNAL SIND,COSD
 
 !LOCAL VARIABLES: