This issue is from a Codex global scan of the repository.
Some init workflows still default missing api_version to 0.9, but the dispatcher now rejects versions below 1.0.
Evidence:
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fp_resources, |
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[fp_command], |
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work_dir, |
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run_tasks, |
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fp_group_size, |
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forward_common_files, |
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forward_files, |
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backward_files, |
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api_version=mdata.get("api_version", "0.9"), |
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) |
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[], |
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[ff_path, data_init_path, control_path, lmp_path], |
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[trj_path], |
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outlog=log_file, |
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errlog=log_file, |
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api_version=mdata.get("api_version", "0.9"), |
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) |
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if Version(api_version) < Version("1.0"): |
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raise RuntimeError( |
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"API version below 1.0 is no longer supported. Please upgrade to version 1.0 or newer." |
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) |
init_surf and init_reaction call make_submission_compat(..., api_version=mdata.get("api_version", "0.9")). make_submission_compat() raises for api_version < 1.0, so machine files that omit api_version fail through the default path.
Expected behavior: use a supported default such as 1.0, or require api_version explicitly during normalization with a clear error message.
This issue is from a Codex global scan of the repository.
Some init workflows still default missing
api_versionto0.9, but the dispatcher now rejects versions below1.0.Evidence:
dpgen/dpgen/data/surf.py
Lines 596 to 605 in 7af5246
dpgen/dpgen/data/reaction.py
Lines 96 to 102 in 7af5246
dpgen/dpgen/dispatcher/Dispatcher.py
Lines 139 to 142 in 7af5246
init_surfandinit_reactioncallmake_submission_compat(..., api_version=mdata.get("api_version", "0.9")).make_submission_compat()raises forapi_version < 1.0, so machine files that omitapi_versionfail through the default path.Expected behavior: use a supported default such as
1.0, or requireapi_versionexplicitly during normalization with a clear error message.