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68 | 68 | ], check=True, cwd=output_dir) |
69 | 69 |
|
70 | 70 | # Run the Snakemake reporter for the configuration |
71 | | - subprocess.run([ |
72 | | - "snakemake", |
73 | | - "-s", str(snakefile_path), |
74 | | - "--use-singularity", |
75 | | - "--cores", "all", |
76 | | - "--resources", "serial_run=1", |
77 | | - "--force", |
78 | | - "--reporter", "metadata4ing", |
79 | | - "--report-metadata4ing-filename", f"openfoam_rocrate_{config_name}.zip", |
80 | | - "--report-metadata4ing-name", "NFDI4Ing Provenance", \ |
81 | | - "--report-metadata4ing-description", "Benchmark for rotating cylinders", \ |
82 | | - "--report-metadata4ing-license", "https://opensource.org/licenses/MIT", \ |
83 | | - "--report-metadata4ing-profile", "provenance-run-crate-0.5", \ |
84 | | - ], check=True, cwd=output_dir) |
| 71 | + # subprocess.run([ |
| 72 | + # "snakemake", |
| 73 | + # "-s", str(snakefile_path), |
| 74 | + # "--use-singularity", |
| 75 | + # "--cores", "all", |
| 76 | + # "--resources", "serial_run=1", |
| 77 | + # "--force", |
| 78 | + # "--reporter", "metadata4ing", |
| 79 | + # "--report-metadata4ing-filename", f"openfoam_rocrate_{config_name}.zip", |
| 80 | + # "--report-metadata4ing-name", "NFDI4Ing Provenance", \ |
| 81 | + # "--report-metadata4ing-description", "Benchmark for rotating cylinders", \ |
| 82 | + # "--report-metadata4ing-license", "https://opensource.org/licenses/MIT", \ |
| 83 | + # "--report-metadata4ing-profile", "provenance-run-crate-0.5", \ |
| 84 | + # ], check=True, cwd=output_dir) |
85 | 85 |
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86 | 86 | print(f"Workflow executed successfully for {config_name}.") |
87 | 87 |
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