fix: return empty list for VASP forward_common_files to prevent upload errors#1811
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…d errors Co-authored-by: njzjz <9496702+njzjz@users.noreply.github.com>
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## devel #1811 +/- ##
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+ Coverage 49.80% 49.84% +0.03%
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Files 83 83
Lines 14904 14899 -5
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+ Hits 7423 7426 +3
+ Misses 7481 7473 -8 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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Verdict: Changes requested. Returning no common files is a reasonable core fix because INCAR/POTCAR/KPOINTS are still forwarded per task and dereferenced by the dispatcher. However, the PR also deletes an unrelated shared structure fixture, and the new test never exercises an actual dispatcher upload. I found no other correctness or security blocker in the core change.
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Coding agent: Codex
Codex version: codex-cli 0.144.6
Model: gpt-5.6-sol
Reasoning effort: xhigh
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[Blocking] Please restore this test fixture. Its deletion is unrelated to the forward_common_files() fix, and several autotests refer directly to confs/std-fcc/POSCAR. Some tests create and remove it temporarily, so deleting the tracked fixture introduces test-order dependence and makes test runs modify the source tree. Also consider adding a minimal upload regression test using LocalContext and a temporary remote root; the new test currently only asserts that the method returns [] and does not reproduce the reported upload failure.
This PR fixes a critical issue where
dpgen autotest runwould fail withRuntimeError: cannot find upload filewhen using VASP as the DFT calculator.Problem
When running
dpgen autotest run relax.json machine.jsonwith VASP configuration, users encountered:This error occurred because:
forward_common_files()method returned["INCAR", "POTCAR"]confs/ZrO2-m/relaxation/) and symlinks them to task directoriesSolution
Modified
VASP.forward_common_files()to return an empty list[]instead of["INCAR", "POTCAR"]. This change:[]for similar reasonsmake_input_file()andmake_potential_files()methodsforward_files()method which correctly returns task-specific filesTesting
forward_files()still returns correct task-specific files:["INCAR", "POSCAR", "KPOINTS", "POTCAR"]Fixes #1139.
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