Merge branch 'develop'

Author: merrygoat

README.md

@@ -40,9 +40,7 @@ Note that `Tutorial Notebook 4` will not run correctly in Binder as it requires
 Compatibility
 --------------
 
-The code was developed and tested with Python version 3.8. The minimum required Python version is 3.6. If you install the dependencies of xrdfit using the 
-specification in requirements.txt, this will use the same package versions used by the developers. While this is good for reproducibility, it is worth noting that
-if you are using a newer Python version (> 3.8), some of these packages may not have binary wheels for your version and may require compilation.
+The latest version of xrdfit was tested with Python version 3.10. The minimum required Python version is 3.7.
 
 Required libraries
 --------------------

docs/source/conf.py

@@ -22,7 +22,7 @@
 author = 'Peter Crowther and Christopher Daniel'
 
 # The full version, including alpha/beta/rc tags
-release = '1.2.1'
+release = '1.3.0'
 
 
 # -- General configuration ---------------------------------------------------

docs/source/index.rst

@@ -7,7 +7,7 @@ xrdfit documentation
 Installation
 ==============
 
-``xrdfit`` is compatible with Python 3.6+.
+``xrdfit`` is compatible with Python 3.7+.
 
 Use :command:`pip` to install the latest stable version of ``xrdfit``:
 

readthedocs.yaml

@@ -3,7 +3,7 @@
 version: 2
 
 python:
-  version: 3.6
+  version: 3.7
   install:
     - requirements: requirements.txt
     - method: setuptools

requirements.txt

@@ -3,7 +3,7 @@ matplotlib
 pandas
 dill
 tqdm
-lmfit
+lmfit>=1.1.0
 notebook
 ipywidgets
 PyYAML

setup.py

@@ -5,7 +5,7 @@
 
 setup(
     name='xrdfit',
-    version='1.2.1',
+    version='1.3.0',
     description='Automated fitting of XRD peaks using Pseudo-Voight fits',
     author='Peter Crowther, Christopher Daniel',
     long_description=long_description,
@@ -27,5 +27,5 @@
         "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
         "Operating System :: OS Independent",
     ],
-    python_requires='>=3.6',
-)
+    python_requires='>=3.7',
+)

tutorial notebooks/3 - Fitting peaks over time.ipynb

@@ -132,7 +132,7 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "In this case the errors on the parameters are mostly small relative to the magnitude of the parameters they look particularly large in this case because the fit parameters do not change significantly. This is because the 10 example files represent only a short time period where little was changing in the material.\n",
+    "In this case the errors on the parameters are mostly small relative to the magnitude of the parameters. They look particularly large in this case because the fit parameters do not change significantly. This is because the 10 example files represent only a short time period where little was changing in the material.\n",
     "\n",
     "Error bars are plotted by default, to turn them off you can use the `show_error` parameter:"
    ]

xrdfit/pv_fit.py

@@ -29,7 +29,7 @@ def do_pv_fit(peak_data: np.ndarray, peak_param: "PeakParams") -> lmfit.model.Mo
             model += lmfit.models.PseudoVoigtModel(prefix=prefix)
         else:
             model = lmfit.models.PseudoVoigtModel(prefix=prefix)
-    model += lmfit.Model(lambda background: background)
+    model += lmfit.Model(lambda x, background: background)
 
     two_theta = peak_data[:, 0]
     intensity = peak_data[:, 1]