stfc / aiida-chemshell / 19106990507

Builds Branch Commit Type Ran Committer Via Coverage
19106990507 main Reformat directory structure (#4) Add new directory structure allowing for multiple calculations/workflows/parsers push web-flow github
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19106620403 reformat_directory_structure Merge db8d2894a into 874108179 Pull #4 web-flow github
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19106548067 reformat_directory_structure Merge c75e63054 into 874108179 Pull #4 web-flow github
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19041549322 main Minor clarification of README paths (#1) push web-flow github
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18190683952 readme-paths Merge 46d92b5bc into 6259ef97f Pull #1 web-flow github
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17854510664 main Bump version to 0.1.4 to release with updated license push BTSpeake github
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17642579985 main Update version to 0.1.3 to generate new PyPI package with updated aiida-core requirements push BTSpeake github
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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
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17616457770 main Update version in pyproject.toml: 0.1.1 -> 0.1.2 push BTSpeake github
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17554327797 main Fix force_field_file input key in MD example in README push BTSpeake github
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17554254444 main Re-arrange badges in README push BTSpeake github
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17465741463 main Fix version checking in ci-release and update version number in pyproject.toml push BTSpeake github
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17464687074 main Fix theme error in docs build push BTSpeake github
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17464474382 main Limit test suite in ci as current runners don't have access to ChemShell software push BTSpeake github
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