stfc / aiida-chemshell
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coverage: 85.345%. Remained the same
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Fix DOI badge in README

297 of 348 relevant lines covered (85.34%)

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Builds Branch Commit Type Ran Committer Via Coverage
21407844204 main Fix DOI badge in README push BTSpeake github
85.34
21407637625 main Update version to 0.1.5 push BTSpeake github
85.34
21396353790 main Optimised structure as cjson (#7) Updates the base calculation class to generate the optimised structure file output node as a .cjson formatted SinglefileData object instead of the .pun format. This will interface more cleanly with AiiDAlab based... push web-flow github
85.34
19575526036 main Test suite improvements (#6) Introduces the use of a docker container with a chemshell instance to perform the full test suite to improve CI and coverage reporting. Also adds tests for the plugin's base parser and error code reporting. push web-flow github
85.04
19106990507 main Reformat directory structure (#4) Add new directory structure allowing for multiple calculations/workflows/parsers push web-flow github
71.59
19041549322 main Minor clarification of README paths (#1) push web-flow github
71.59
17854510664 main Bump version to 0.1.4 to release with updated license push BTSpeake github
71.59
17642579985 main Update version to 0.1.3 to generate new PyPI package with updated aiida-core requirements push BTSpeake github
71.59
17640567172 main Changes the main aiida-core version requirements to ">=2.5" (see https://github.com/aiidateam/aiida-registry/pull/359) whilst adding the old requirements to the dev optional requirements since the pytest framework still requires aiida-core>=2.6 push BTSpeake github
71.59
17616457770 main Update version in pyproject.toml: 0.1.1 -> 0.1.2 push BTSpeake github
71.59
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