🚀 Release 0.12
#199
Merged
🚀 Release 0.12
#199
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Bumps [actions/cache](https://github.com/actions/cache) from 3.0.4 to 3.0.5. - [Release notes](https://github.com/actions/cache/releases) - [Changelog](https://github.com/actions/cache/blob/main/RELEASES.md) - [Commits](actions/cache@v3.0.4...v3.0.5) --- updated-dependencies: - dependency-name: actions/cache dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <[email protected]>
Bumps [actions/setup-python](https://github.com/actions/setup-python) from 4.0.0 to 4.1.0. - [Release notes](https://github.com/actions/setup-python/releases) - [Commits](actions/setup-python@v4.0.0...v4.1.0) --- updated-dependencies: - dependency-name: actions/setup-python dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <[email protected]>
…ons/cache-3.0.5 Bump actions/cache from 3.0.4 to 3.0.5
…ons/setup-python-4.1.0 Bump actions/setup-python from 4.0.0 to 4.1.0
Added - `eval_xpath_all` returns all results - `eval_xpath_one` returns one result and makes sure there is only one - `eval_xpath_first` returns the first result All three accept the argument `expected_type`, which is used to check the results of the XPath evaluation
* Make sure that values in `convert_to_xml` are not `None` * Remove `list_return` argument from `eval_xpath_create`
... and store integer value
Allows to set a test option for the KKR-BdG code
If any command would raise an exception it would not be shown correctly in the tests
For unnecessary lambda assignment
…(spglib) and setting LibXC functionals (#183) * New XML setters - for easier specification of XC functional including LibXC - for creating a kpoint path using the ASE bandpath function - for creating kpoint meshes with spglib using the symmetries of the inp.xml *`set_kpointmesh` maps to the same bz interval [0,1] as the gamma option of the fleur kpoint generator by default
Bumps [actions/setup-python](https://github.com/actions/setup-python) from 4.1.0 to 4.2.0. - [Release notes](https://github.com/actions/setup-python/releases) - [Commits](actions/setup-python@v4.1.0...v4.2.0) --- updated-dependencies: - dependency-name: actions/setup-python dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <[email protected]> Signed-off-by: dependabot[bot] <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Bumps [actions/cache](https://github.com/actions/cache) from 3.0.5 to 3.0.6. - [Release notes](https://github.com/actions/cache/releases) - [Changelog](https://github.com/actions/cache/blob/main/RELEASES.md) - [Commits](actions/cache@v3.0.5...v3.0.6) --- updated-dependencies: - dependency-name: actions/cache dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] <[email protected]> Signed-off-by: dependabot[bot] <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
updates: - [github.com/asottile/pyupgrade: v2.34.0 → v2.37.3](asottile/pyupgrade@v2.34.0...v2.37.3) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
this would not detect when the relax.xml include was already present and would enter a second xi:include tag breaking the inp.xml
if the modifying function has an explicit **kwargs argument this would
end up in the task_list as
```
('delete_tag', {'tag_name': 'lo', 'kwargs': {'contains': 'species'}})
```
Instead of the correct one
```
('delete_tag', {'tag_name': 'lo', 'contains': 'species'})
```
The old (maybe hacky way) stopped working in matplotlib 3.6 Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: janssenhenning <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Only the matplotlib images are no longer compared to the baseline
Codecov Report
Additional details and impacted files@@ Coverage Diff @@
## master #199 +/- ##
==========================================
+ Coverage 84.30% 86.88% +2.58%
==========================================
Files 137 133 -4
Lines 24926 24497 -429
==========================================
+ Hits 21014 21285 +271
+ Misses 3912 3212 -700 |
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See CHANGELOG.md