Use a version of RMG's molecule that is built in place, rather than from a separate molecule repo#232
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JacksonBurns wants to merge 4 commits intomainfrom
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Use a version of RMG's molecule that is built in place, rather than from a separate molecule repo#232JacksonBurns wants to merge 4 commits intomainfrom
JacksonBurns wants to merge 4 commits intomainfrom
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Codecov Report
@@ Coverage Diff @@
## main #232 +/- ##
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+ Coverage 49.81% 49.82% +0.01%
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Files 31 31
Lines 7908 8087 +179
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+ Hits 3939 4029 +90
- Misses 3969 4058 +89
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Less some error in the documentation, it appears that this patch is working. I'm leaving this as a draft for the time being, since I will bring this up at the big developer meeting instead. This solves the problem of running the CI, but would undo the work on molecule and require RMS to carry around all of RMG again - but let's hash out these points at the developer meeting. |
see jacksonburns/rmg-py branch molecule_subpackage
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By changing the CI to use mamba instead of conda, the environment file without molecule separate from RMG can be solved.
Will add more notes later, opening this as a draft for now for off-line discussion.