Merging major changes for v0.2.0 #34
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ethan-shanahan
commented
May 26, 2025
ethan-shanahan
commented
- Inclusion of aiida-fans-tutorial
- Introduction of stashed and fragmented calculation strategies
- Support for FANS v0.4.0
* initial tutorial.py * Update environment systems * update github workflows * fix license classifier * port tutorial.py content * include dataset * include tutorial README * add tutorial files to .gitignore * extend ruff exclude to tutorial
* Rephrase module docstring * proposal of first utility function * placeholders for alternative aproaches * new entrypoints for alternate calc strategies * split strategies, mostly Stashed work * strategy selection * anti-duplication untilities * add development sandbox * reconfigure entry-points * restructured codebase for calc strategy subclassing * properly finds output and extracts "average" data * fixed bug with confirmation * execute_fans currying * arraydata_equal func * fixed bug with fetch ArrayData * cement version specifier for tutorial env * satisfy ruff
* bump fans version * remove pointless entry-points * def input generator tool * use input generator tool * change macroscale_loading type to List * code cleanup * filename -> filepath * move results input to metadata.options and add results_prefix input under metadata.options * satisfy ruff
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