Development to master #206
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Bumps [pytest-cov](https://github.com/pytest-dev/pytest-cov) from 2.10.1 to 2.11.1. - [Release notes](https://github.com/pytest-dev/pytest-cov/releases) - [Changelog](https://github.com/pytest-dev/pytest-cov/blob/master/CHANGELOG.rst) - [Commits](pytest-dev/pytest-cov@v2.10.1...v2.11.1) Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Bumps [pytest](https://github.com/pytest-dev/pytest) from 6.2.1 to 6.2.2. - [Release notes](https://github.com/pytest-dev/pytest/releases) - [Changelog](https://github.com/pytest-dev/pytest/blob/master/CHANGELOG.rst) - [Commits](pytest-dev/pytest@6.2.1...6.2.2) Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Bumps [lmfit](https://github.com/lmfit/lmfit-py) from 1.0.1 to 1.0.2. - [Release notes](https://github.com/lmfit/lmfit-py/releases) - [Changelog](https://github.com/lmfit/lmfit-py/blob/master/doc/whatsnew.rst) - [Commits](lmfit/lmfit-py@1.0.1...1.0.2) Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Bumps [asteval](https://github.com/newville/asteval) from 0.9.21 to 0.9.22. - [Release notes](https://github.com/newville/asteval/releases) - [Commits](newville/asteval@0.9.21...0.9.22) Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
It's really annoying and doesn't work
* Dephell pre-commit hook [ci skip] * Fully implement DFO-LS * Fix DFO_LS error generation * DFOLS docstrings and cleanup * Returning the correct data..... * Start making datasets * Start work on datasets * xarray fitting attempt Hint: it's a fail :-( * xarray fitting in nd with lmfit * More data array examples * Add examples and more fitting work * Minor bug fixes * Multifitting of xarray DataArrays * Dephell pre-commit hook [ci skip] * Fully implement DFO-LS * Fix DFO_LS error generation * DFOLS docstrings and cleanup * Returning the correct data..... * Delete poetry.lock * Dephell pre-commit hook [ci skip] * Fully implement DFO-LS * Fix DFO_LS error generation * DFOLS docstrings and cleanup * Returning the correct data..... * Start making datasets * Start work on datasets * xarray fitting attempt Hint: it's a fail :-( * xarray fitting in nd with lmfit * More data array examples * Add examples and more fitting work * Minor bug fixes * Multifitting of xarray DataArrays * Renaming and Documentation * Fix circular import. * Fitting macro fix * Fix some pull request issues.
* Bump asteval from 0.9.22 to 0.9.23 Bumps [asteval](https://github.com/newville/asteval) from 0.9.22 to 0.9.23. - [Release notes](https://github.com/newville/asteval/releases) - [Commits](newville/asteval@0.9.22...0.9.23) Signed-off-by: dependabot[bot] <support@github.com> * Delete poetry.lock Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Simon Ward <2798086+wardsimon@users.noreply.github.com>
Add some missing text to undo/redo actions
Just some undo redo work and cleaning up of decorator names. Not much to see here
Updates the requirements on [monty](https://github.com/materialsvirtuallab/monty) to permit the latest version. - [Release notes](https://github.com/materialsvirtuallab/monty/releases) - [Changelog](https://github.com/materialsvirtuallab/monty/blob/master/docs/changelog.html) - [Commits](materialsvirtuallab/monty@v4.0.2...v2021.3.3) Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
When changing the fit_object the current fitting engine was not updated. This meant that when a fit was performed, it still referenced the old object to be fitted. Calling `__initialize` after object change updates the engine with the new object.
* Some unit tests of base objects * Code style cleanup * Styles and unit tests * Start with Lattice tests * Bump bumps from 0.7.18 to 0.8.0 Bumps [bumps](http://www.reflectometry.org/danse/software.html) from 0.7.18 to 0.8.0. Signed-off-by: dependabot[bot] <support@github.com> * Bump codecov from 2.1.10 to 2.1.11 Bumps [codecov](https://github.com/codecov/codecov-python) from 2.1.10 to 2.1.11. - [Release notes](https://github.com/codecov/codecov-python/releases) - [Changelog](https://github.com/codecov/codecov-python/blob/master/CHANGELOG.md) - [Commits](codecov/codecov-python@v2.1.10...v2.1.11) Signed-off-by: dependabot[bot] <support@github.com> * Start work on Atoms test * Add python 3.9 to tests * Dephell pre-commit hook [ci skip] * More atoms testing work * Atoms tests part deux * More lattice tests + fixes * tests for Spacegroup * Modification of BaseObj and BaseCollection Unify `BaseObj` and `BaseCollection` to derive from `BasedBase` and update subclass matching to take this into account. Fix the occurrence wrong mapping when: ``` foo = Foo() bar1 = foo.bar bar2 = Bar() foo.bar = bar2 ``` * Bug Fixes relating to groups More refactoring of Base classes and fixing imports * Fixup spacegroups and tests * Initial Interfacing Trial * Improved interfacing and switching Bonus! More detailed error messages * Clean up new interfacing * More interfacing work * Atom interface linking via ID * Undo Phase changes as it should not be done this way * Remove auto generate-bindings property of interface * Remove `IT_coordinate_system_code` from cif The IT_coordinate_system_code written to the cif is the one from pymatgen and is not the IUCr definition. This was causing errors when loading. Removed until it can be fixed. Currently effects CrysPy calculator only. * Fix evaluation of multiple constraints Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: Andrew Sazonov <AndrewSazonov@users.noreply.github.com>
* Add some unit tests * Bump release version * Add owner info * Clean up some typos * Bump version in tests * Update publishing workflow * Added some logo and stuff * Fix logo font * Fix classifier info * Update README * Delete Files * Update packaging workflow Co-authored-by: Andrew Sazonov <AndrewSazonov@users.noreply.github.com>
Updates the requirements on [readme-renderer](https://github.com/pypa/readme_renderer) to permit the latest version. - [Release notes](https://github.com/pypa/readme_renderer/releases) - [Changelog](https://github.com/pypa/readme_renderer/blob/main/CHANGES.rst) - [Commits](pypa/readme_renderer@35.0...37.3) --- updated-dependencies: - dependency-name: readme-renderer dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Updates the requirements on [sphinx](https://github.com/sphinx-doc/sphinx) to permit the latest version. - [Release notes](https://github.com/sphinx-doc/sphinx/releases) - [Changelog](https://github.com/sphinx-doc/sphinx/blob/master/CHANGES) - [Commits](sphinx-doc/sphinx@v4.0.2...v6.1.3) --- updated-dependencies: - dependency-name: sphinx dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Updates the requirements on [xarray](https://github.com/pydata/xarray) to permit the latest version. - [Release notes](https://github.com/pydata/xarray/releases) - [Changelog](https://github.com/pydata/xarray/blob/main/HOW_TO_RELEASE.md) - [Commits](pydata/xarray@v0.16.0...v2023.01.0) --- updated-dependencies: - dependency-name: xarray dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Fix for pint object comparison
…hling-python-packaging-tools 197 move from poetry to hatchling python packaging tools
204 make release 040
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Bump code in development to master