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5 changes: 3 additions & 2 deletions .travis.yml
Original file line number Diff line number Diff line change
Expand Up @@ -7,9 +7,10 @@ os:

env:
- MYUSEMC=true MYPYTHON_VERSION=2.7
- MYUSEMC=true MYPYTHON_VERSION=3.5
- MYUSEMC=true MYPYTHON_VERSION=3.6
- MYUSEMC=true MYPYTHON_VERSION=3.7
- MYUSEMC=true MYPYTHON_VERSION=3.8
- MYUSEMC=true MYPYTHON_VERSION=3.9
- MYUSEMC=true MYPYTHON_VERSION=3.10
- MYUSEMC=false

matrix:
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27 changes: 21 additions & 6 deletions README.rst
Original file line number Diff line number Diff line change
Expand Up @@ -20,7 +20,7 @@ is available in the doc/Farrow-jpcm-2007.pdf paper.
REQUIREMENTS
------------------------------------------------------------------------

PDFgui requires Python 3.7, 3.6, 3.5 or 2.7 and several third-party
PDFgui requires Python 3.7 or later or 2.7 and several third-party
libraries that are used by PDFgui and its components.

* setuptools - tools for installing Python packages
Expand Down Expand Up @@ -57,17 +57,23 @@ INSTALLATION
------------------------------------------------------------------------

The preferred method is to use Anaconda Python and install from the
"diffpy" channel of Anaconda packages ::
"conda-forge" channel of Anaconda packages. `pdfgui` can be installed with `conda` ::

conda config --add channels diffpy
conda install diffpy.pdfgui
conda install -c conda-forge diffpy.pdfgui

PDFgui can be then started from a terminal ("Anaconda Prompt" on
Windows) by executing the "pdfgui" program. An alternative
method on Windows is to start PDFgui through the DiffPy start menu.

If you don't use Anaconda or prefer to install from sources, make
sure the required software is all in place and run ::
sure the required software is all in place ::

pip install wxpython==4.0.7
conda install matplotlib
conda install -c conda-forge diffpy.utils
conda install -c conda-forge install diffpy.pdffit2

Then you are ready to install diffpy.pdfgui from source codes::

python setup.py install

Expand All @@ -82,6 +88,15 @@ changing to the HOME directory and running ::

python -m diffpy.pdfgui.tests.rundeps

To use PDFgui, you can simply type `pdfgui`, or run the following command ::

python diffpy.pdfgui/src/diffpy/pdfgui/application/pdfgui.py

If it shows some error like "This program needs access to the screen.". For Mac, you could install `python.app` from conda
(`conda install python.app`), then run as follows ::

python.app diffpy.pdfgui/src/diffpy/pdfgui/application/pdfgui.py

With Anaconda PDFgui can be later upgraded to the latest released
version using ::

Expand All @@ -92,7 +107,6 @@ the latest version as follows ::

easy_install --upgrade diffpy.pdfgui


Other software
````````````````````````````````````````````````````````````````````````

Expand All @@ -101,6 +115,7 @@ structures. We have tested with several structure viewers such as

* AtomEye, http://li.mit.edu/A/Graphics/A/
* PyMol, https://www.pymol.org
* VESTA, http://jp-minerals.org/vesta/en/

Other viewers should work as well, as long as they understand one of
the output structure formats supported by PDFgui.
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5 changes: 3 additions & 2 deletions conda-recipe/conda_build_config.yaml
Original file line number Diff line number Diff line change
@@ -1,5 +1,6 @@
python:
- 3.10
- 3.9
- 3.8
- 3.7
- 3.6
- 3.5
- 2.7
9 changes: 5 additions & 4 deletions setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -15,7 +15,7 @@

# Use this version when git data are not available, like in git zip archive.
# Update when tagging a new release.
FALLBACK_VERSION = '1.1.2.post0'
FALLBACK_VERSION = '1.4.0'

# determine if we run with Python 3.
PY3 = (sys.version_info[0] == 3)
Expand All @@ -29,7 +29,7 @@
def gitinfo():
from subprocess import Popen, PIPE
kw = dict(stdout=PIPE, cwd=MYDIR, universal_newlines=True)
proc = Popen(['git', 'describe', '--match=v[[:digit:]]*'], **kw)
proc = Popen(['git', 'describe', '--tags', '--match=v[[:digit:]]*'], **kw)
desc = proc.stdout.read()
proc = Popen(['git', 'log', '-1', '--format=%H %ct %ci'], **kw)
glog = proc.stdout.read()
Expand Down Expand Up @@ -142,9 +142,10 @@ def dirglob(d, *patterns):
'Operating System :: Microsoft :: Windows',
'Operating System :: POSIX',
'Programming Language :: Python :: 2.7',
'Programming Language :: Python :: 3.5',
'Programming Language :: Python :: 3.6',
'Programming Language :: Python :: 3.7',
'Programming Language :: Python :: 3.8',
'Programming Language :: Python :: 3.9',
'Programming Language :: Python :: 3.10',
'Topic :: Scientific/Engineering :: Chemistry',
'Topic :: Scientific/Engineering :: Physics',
],
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