stfc / aiida-chemshell / 19575526036

Builds Branch Commit Type Ran Committer Via Coverage
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
19575458733 test_suite_improvements Merge 2af4271fb into ac66435c3 Pull #6 web-flow github
85.04
19575333715 test_suite_improvements Merge 10191c6d2 into ac66435c3 Pull #6 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
19106620403 reformat_directory_structure Merge db8d2894a into 874108179 Pull #4 web-flow github
71.59
19106548067 reformat_directory_structure Merge c75e63054 into 874108179 Pull #4 web-flow github
71.59
19041549322 main Minor clarification of README paths (#1) push web-flow github
71.59
18190683952 readme-paths Merge 46d92b5bc into 6259ef97f Pull #1 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
17554327797 main Fix force_field_file input key in MD example in README push BTSpeake github
71.59
17554254444 main Re-arrange badges in README push BTSpeake github
71.59
17465741463 main Fix version checking in ci-release and update version number in pyproject.toml push BTSpeake github
71.59