Tags: diffpy/diffpy.srmise
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Support Python 3.13, drop 3.10 (#143) * Modify pyproject.toml to support 3.13, drop 3.10 * Add requires-python = ">=3.11, <=3.13" in pyprojet.toml * Add requires-python = ">=3.11, <=3.13" to news * Add >=3.11, <3.14 in news * Update pyproject.toml with >=3.11, <3.14 * Standardize news file
Support Python 3.13, drop 3.10 (#143) * Modify pyproject.toml to support 3.13, drop 3.10 * Add requires-python = ">=3.11, <=3.13" in pyprojet.toml * Add requires-python = ">=3.11, <=3.13" to news * Add >=3.11, <3.14 in news * Update pyproject.toml with >=3.11, <3.14 * Standardize news file
Add module name to __init__.py files to allow building without Wheel … …contains duplicate files error (#139) * Add content to __init__ files * [pre-commit.ci] auto fixes from pre-commit hooks * baselines->applications in init --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Simon Billinge <sbillinge@users.noreply.github.com>
Add module name to __init__.py files to allow building without Wheel … …contains duplicate files error (#139) * Add content to __init__ files * [pre-commit.ci] auto fixes from pre-commit hooks * baselines->applications in init --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Simon Billinge <sbillinge@users.noreply.github.com>
Add module name to __init__.py files to allow building without Wheel … …contains duplicate files error (#139) * Add content to __init__ files * [pre-commit.ci] auto fixes from pre-commit hooks * baselines->applications in init --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Simon Billinge <sbillinge@users.noreply.github.com>
Add tutorials/extension to docs nav bar, create pip.txt (#128) * cap in description * Add news for doc nav * Install pip with pip.txt, conda with conda.txt * Overall doc paths and nav * Fix api doc table of content order * Add news on adding tutorials
Cookie (#105) * Lint check & fix to python3 format (#18) * lint check and change files from python2 to python3 * pre-commit check for these files * lint check & change to python3 & pre-commit check (#19) * lint check & change to python3 & pre-commit check * [pre-commit.ci] auto fixes from pre-commit hooks --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * lint check and fix print and exception python2 issue (#20) * lint check and fix python2 print and exception issues (#21) * lint check and fix python2 print and exception issues * [pre-commit.ci] auto fixes from pre-commit hooks --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * finish parenthesizing print statements (#24) * finish parenthesizing print statements * [pre-commit.ci] auto fixes from pre-commit hooks --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * fix too many leading #, import modules, and unused var (#29) * requirements (#30) * fix import module not used & string check (#25) * fix too many leading "#" in string block (#26) * lint check, remove unused import modules & remove too many "#". (#27) * remove unused modules, ambiguous variable name (#28) * cleaning (#31) * requirements * clean out __init__ * replace ### * ins not none in modelevaluators base * Copyright (#32) * requirements * basefunction * all the copyright statements * lint check, fix break import modules, remove unused import modules, remove some # (#33) * fix break import modules, remove unused import modules, fix docstring length (#34) * fix formatting issue and typo in copyright (#35) * clean out inits (#38) * clean out inits * [pre-commit.ci] auto fixes from pre-commit hooks * dataclusters.py, modelevaluators/aicc and modelparts.py --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * peakextraction.py and init (#40) * move untrack doc and requirement files (#41) * move untrack doc and requirement files * add requirement in run.txt * [pre-commit.ci] auto fixes from pre-commit hooks --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * add pyproject.toml (#42) * add pyproject.toml * [pre-commit.ci] auto fixes from pre-commit hooks * update classifiers pyproject.toml * Delete setup.py --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * move diffpy files to src dir (#44) * move diffpy files to src dir * [pre-commit.ci] auto fixes from pre-commit hooks * add Luke to authors --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * LICENSE (#45) * add two LICENSE.rst files into cookiecutter * fix LICENSE.rst and LICENSE_PDFgui.rst with correct references and year * resolve pdfdataset.py conflict --------- Co-authored-by: Simon Billinge <sbillinge@users.noreply.github.com> * add untrack files and add cookiecut.rst news (#46) * add untrack files and add cookiecut.rst news * delete README.txt * fix py2 -> py3, fix broken import, remove deprecation warning (#47) * fix py2 -> py3, move deprecation warning * fix search & split in binary files * fix broken import, remove deprecated pkg_resource (#50) * change import path to make it work. (#48) * fix import modules, py2->py3 (#49) * fix broken import in doc, change README to rst file. (#51) * fix broken import in doc, change README to rst file. * fix os getcwd method * fix p2 to p3 (#52) * add test for dataclusters (#54) * add test for dataclusters * define eq method in dataclusters.py * change parametrization form * add one more case and change reference name to actual * delete comment * add two more tests for DataClusters class function. * change in docstring for clearer explanation for clear method, remove duplicated case for testing behavior, remove other tests. * change clear method docstring into numpydoc format. Delete dtype for numpy array. * remove block * Make edition to condition on res, refactor for setdata to make behavior of the test passed. * change condition on res * add condition on x and res are incompatible, update test. * revert change in setdata method. * Eq tests (#59) * remove diffpy/srmise tree * test for eq * add attributes in eq method (#60) * Add set data test cases (#61) * add test cases to test files and make edition to make sure the behavior of the test pass. * [pre-commit.ci] auto fixes from pre-commit hooks * change case in test__eq__ to be compatible with the behavior of setdata * delete text and redundant tests * tweaking error message in DataClusters * [pre-commit.ci] auto fixes from pre-commit hooks * update test for checking implicit attributes for setdata function * [pre-commit.ci] auto fixes from pre-commit hooks * update test for setdata function * update setdata test to right format. * update to constructor test & make setdata clear function private * final tweaks to tests by Simon * fix actual_attribute typo * final refactor of actual_attr --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Simon Billinge <sbillinge@users.noreply.github.com> * fix arbitrary.py to numpydoc format (#68) * fix arbitrary.py to numpydoc format * pre-commit fix * change start sentence to 'The' * print things correctly (#71) * print things correctly * change to f string * reduce print to one line * change createpeak to actualize function (#72) * fix import and counting to make it work (#74) * refactor makeclusters to make it work (#73) * deprecation remove (#78) * deprecation remove * fix to right behavior * Revert "refactor makeclusters to make it work (#73)" (#79) This reverts commit 3773bcf. * try out py2 before py3 refactor to make sure correct workflow (#75) * fix false counting and numpy to int (#80) * fix false counting and numpy to int * [pre-commit.ci] auto fixes from pre-commit hooks --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * numpydoc edition (#81) * change peakextraction function to numpydoc * pre-commit run * remove unused import * numpydoc build (#82) * numpydoc build on peakstability (#83) * numpydoc build for ModelCluster (#85) * numpydoc build for multimodelselection.py (#87) * numpydoc documentation build for ModelCluster class (#86) * numpydoc build for pdfdataset (#88) * numpydoc build for pdfpeakextraction.py (#89) * numpydoc build for gaussianoverr.py (#91) * numpydoc build for gaussianoverr.py * [pre-commit.ci] auto fixes from pre-commit hooks * fix pre-commit --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * terminationripples.py numpydoc build (#92) * numpydoc build for gaussian.py (#90) * numpydoc build for gaussian.py * [pre-commit.ci] auto fixes from pre-commit hooks * pre-commit fix * update for FWHM and maxwidth * update for starting sentence --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * numpydoc build for base.py (#95) * numpydoc build for polynomial.py (#97) * numpydoc build for fromsequence.py (#99) * numpydoc build for nanospherical.py (#98) * numpydoc build for base.py in Baseline class (#96) * numpydoc build for base.py * [pre-commit.ci] auto fixes from pre-commit hooks --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * numpydoc build for aic.py (#93) * numpydoc build for aicc.py (#94) * numpydoc build for ModelCovariance (#84) * numpydoc build for ModelCovariance * update format type and fix indentation issue * numpydoc build for modelparts.py (#100) * numpydoc build for modelparts.py * [pre-commit.ci] auto fixes from pre-commit hooks --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * numpydoc build for basefunction.py (#101) * api workflow build for diffpy.srmise (#102) * api workflow build for diffpy.srmise * [pre-commit.ci] auto fixes from pre-commit hooks --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * add changed news (#103) --------- Co-authored-by: Rundong Hua <157993340+stevenhua0320@users.noreply.github.com> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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