Complete PQAnalysis recipe entry points for 1.3.0 - #83
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The 1.3.0 release exposes 13 console scripts; the initial recipe listed only 6 (an earlier truncation). Add continue_input, rdf, add_molecules, activate_argcomplete, build_nep_traj, xyz2gen, and gen2xyz so the recipe matches the released package.
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #83 +/- ##
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Coverage 96.92% 96.92%
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Files 28 28
Lines 1689 1689
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Hits 1637 1637
Misses 52 52
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The
conda-recipes/pqanalysis/recipe listed only 6 of the 13 console scripts that PQAnalysis 1.3.0 actually exposes (an earlier draft was truncated). Verified against thev1.3.0tag's[project.scripts], this adds the missing entry points:continue_input,rdf,add_molecules,activate_argcomplete,build_nep_traj,xyz2gen,gen2xyzThe recipe passes
conda-smithy recipe-lint("in fine form"). Prep for the upcomingconda-forge/staged-recipessubmission of PQAnalysis.