Changeset 5418

Timestamp:

Dec 1, 2022 10:08:10 PM (12 months ago)

Author:

toby

Message:

more install changes

Files:

• install/build_scripts (added)
• install/build_scripts/win64.bat (added)
• install/g2complete/meta.yaml.template (modified) (1 diff)
• install/g2full/construct.yaml.template (modified) (3 diffs)
• install/g2full/gsas2-welcome.png (modified) (previous)
• install/g2full/gsas2.png (modified) (previous)
• trunk/exports/G2export_CIF.py (modified) (1 diff)

install/g2complete/meta.yaml.template

@@ -15 +15 @@
     - matplotlib=**mplversion**
     - wxpython=**wxversion**
+    - pillow
+    - pyopengl
+    - scipy
     - conda
-    - scipy
-    - pillow
     - requests
-    - pyopengl
-    - svn                                  [not win]
+    - subversion                           [not win]
     - hdf5
     - h5py

install/g2full/construct.yaml.template

@@ -5 +5 @@
 channels:
   - https://conda.anaconda.org/conda-forge
-  
+
+conda_default_channels:
+  - https://conda.anaconda.org/conda-forge
+
 specs:
     - python=**pyversion**
@@ -15 +18 @@
     - scipy
     - conda
-    - svn                              [not win]
+    - requests
+    - subversion                        [not win]
     - hdf5
     - h5py
@@ -46 +50 @@
 #initialize_conda: False  # will be added in future version
 initialize_by_default: False
+company: Argonne National Laboratory

trunk/exports/G2export_CIF.py

@@ -399 +399 @@
     return tblLabels,tblValues,tblSigs,tblTypes
 
-
-# Refactored over here to allow access by GSASIIscriptable.py
 def WriteCIFitem(fp, name, value=''):
-    '''Helper function for writing CIF output.'''
+    '''Helper function for writing CIF output.
+    This gets used in different ways. The simplest use will be:
+
+    >>> WriteCIFitem(fp, '_some_cif_name', valstr)
+
+    For loops it will be used like this:
+
+    >>> WriteCIFitem(fp, 'loop_   _cif_name1  _cif_name2')
+    >>> for v1,v2 in values:
+    >>>     WriteCIFitem(fp, value=v1)
+    >>>     WriteCIFitem(fp, value=v2)
+
+    or if items will be aligned in a table (no spaces or new 
+    lines in the items)
+
+    >>> WriteCIFitem(fp, 'loop_   _cif_name1  _cif_name2')
+    >>> for v1,v2 in values:
+    >>>     s = PutInCol("{:.4f}".format(v1),10)
+    >>>     s += PutInCol(str(v2),8) 
+    >>>     WriteCIFitem(fp, value=s)
+    
+    It is occasionally used where a CIF value is passed as the name 
+    parameter. This works if no quoting is needed, but is not a good 
+    practice. 
+    
+    :param fp: file access object
+    :param str name: a CIF data name
+    :param str value: the value associated with the CIF data name. 
+      Written in different ways depending on what the contents contain, 
+      with respect to quoting. 
+    '''
     # Ignores unicode issues
     if value: