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Merged
sbillinge merged 18 commits into from
Feb 27, 2024
Merged

Add functionality for multiple morphs in one command #82

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597df51
Add ability to perform multiple morphs, testfiles
Jul 4, 2023
91fc072
Add test, temp sort option, fix depreciation
Jul 5, 2023
69c1544
Revert version.py, add tests
Jul 5, 2023
72f735e
Add plotting, saving options
Jul 6, 2023
848ea4d
New --sort-by, --serial-file opts, cleanup output, new tests
Aug 17, 2023
8d3db09
Improve saving functionality with tests
Aug 17, 2023
facccb0
Remove diffpy.utils for CodeCov
Aug 17, 2023
3481aeb
Change repo for diffpy.utils install
Aug 17, 2023
31efdba
Add diffpy.utils install back into run.txt
Aug 17, 2023
5d607d7
Use pytest for tests
Aug 21, 2023
3f1f687
Remove pkg_resources
Aug 21, 2023
82bda76
Ignore divide by zero warnings at r=0
Sep 2, 2023
70a8cd2
Better --help messages, new dict search function
Sep 3, 2023
1cc6280
Refine io testing
Sep 4, 2023
59e4c9f
Factor pdfmorph io to separate file
Sep 5, 2023
9ecade1
Factor out more multisave helper functions
Sep 12, 2023
f7fe981
Allow choice of plot parameter, some reformatting
Sparks29032 Oct 13, 2023
63c1b8e
Fix refactor issue
Sparks29032 Oct 13, 2023
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8 changes: 7 additions & 1 deletion .github/workflows/main.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -46,11 +46,17 @@ jobs:
conda install --file requirements/test.txt
pip install .

# redownload diffpy.utils pre 3.2.0 release, use https since public repo

@sbillinge sbillinge Aug 23, 2023

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Please make sure there is an issue to remove this when diffpy.utils is released on conda-forge. I would rather not do this here tbh, but if it is needed for now it is ok, but let's make sure we remove it later.

What is left on diffpy.utils to get it released? Can we just do that and not have this here? it is just making more work in the future.....

- name: install diffpy.utils
shell: bash -l {0}
run: |
git clone https://github.com/diffpy/diffpy.utils.git
pip install ./diffpy.utils

- name: Validate pdfmorph
shell: bash -l {0}
run: |
conda activate test
coverage run run_tests.py
coverage report -m
codecov

2 changes: 1 addition & 1 deletion diffpy/pdfmorph/__init__.py
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Expand Up @@ -17,7 +17,7 @@
"""

# obtain version information
__version__ = '0.0.1'
from diffpy.pdfmorph.version import __version__

# top-level import
from diffpy.pdfmorph.pdfmorph_api import pdfmorph, morph_default_config, plot_morph
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