@pikaa-ai/pikaa 0.3.1 → 0.3.4
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/cli.js +1169 -601
- package/dist/index.js +525 -204
- package/package.json +5 -3
- package/skills/adaptyv/references/api-endpoints.md +0 -690
- package/skills/aeon/references/anomaly_detection.md +0 -154
- package/skills/aeon/references/classification.md +0 -144
- package/skills/aeon/references/clustering.md +0 -123
- package/skills/aeon/references/datasets_benchmarking.md +0 -392
- package/skills/aeon/references/distances.md +0 -256
- package/skills/aeon/references/forecasting.md +0 -109
- package/skills/aeon/references/networks.md +0 -289
- package/skills/aeon/references/regression.md +0 -118
- package/skills/aeon/references/segmentation.md +0 -163
- package/skills/aeon/references/similarity_search.md +0 -187
- package/skills/aeon/references/transformations.md +0 -246
- package/skills/analytical-method-validation/assets/validation-protocol-template.md +0 -106
- package/skills/analytical-method-validation/assets/validation-report-template.md +0 -116
- package/skills/analytical-method-validation/references/compendial-and-clsi.md +0 -96
- package/skills/analytical-method-validation/references/framework-selection.md +0 -87
- package/skills/analytical-method-validation/references/ich-m10-bioanalytical.md +0 -123
- package/skills/analytical-method-validation/references/ich-q2r2.md +0 -229
- package/skills/analytical-method-validation/references/source-ledger.md +0 -125
- package/skills/analytical-method-validation/references/statistics.md +0 -209
- package/skills/analytical-method-validation/scripts/_catalog.py +0 -499
- package/skills/analytical-method-validation/scripts/_common.py +0 -955
- package/skills/analytical-method-validation/scripts/check_accuracy_precision.py +0 -328
- package/skills/analytical-method-validation/scripts/check_bioanalytical_run.py +0 -293
- package/skills/analytical-method-validation/scripts/check_detection_limits.py +0 -310
- package/skills/analytical-method-validation/scripts/check_response.py +0 -243
- package/skills/analytical-method-validation/scripts/compare_methods.py +0 -215
- package/skills/analytical-method-validation/scripts/plan_validation.py +0 -381
- package/skills/anndata/references/best_practices.md +0 -532
- package/skills/anndata/references/concatenation.md +0 -399
- package/skills/anndata/references/data_structure.md +0 -314
- package/skills/anndata/references/io_operations.md +0 -466
- package/skills/anndata/references/manipulation.md +0 -516
- package/skills/arbor/references/arbor-upstream.md +0 -91
- package/skills/arbor/references/executor-brief.md +0 -68
- package/skills/arbor/references/htr-methodology.md +0 -177
- package/skills/arbor/references/report-template.md +0 -39
- package/skills/arbor/scripts/tree.py +0 -564
- package/skills/arboreto/references/algorithms.md +0 -152
- package/skills/arboreto/references/basic_inference.md +0 -181
- package/skills/arboreto/references/distributed_computing.md +0 -242
- package/skills/arboreto/scripts/basic_grn_inference.py +0 -107
- package/skills/astropy/references/coordinates.md +0 -280
- package/skills/astropy/references/cosmology.md +0 -309
- package/skills/astropy/references/fits.md +0 -398
- package/skills/astropy/references/tables.md +0 -495
- package/skills/astropy/references/time.md +0 -412
- package/skills/astropy/references/units.md +0 -178
- package/skills/astropy/references/wcs_and_other_modules.md +0 -377
- package/skills/autoskill/config.yaml +0 -53
- package/skills/autoskill/references/https-proxy.md +0 -62
- package/skills/autoskill/references/screenpipe-config.yaml +0 -61
- package/skills/autoskill/scripts/autoskill.py +0 -35
- package/skills/autoskill/scripts/backends.py +0 -116
- package/skills/autoskill/scripts/cluster.py +0 -54
- package/skills/autoskill/scripts/doctor.py +0 -108
- package/skills/autoskill/scripts/fetch_window.py +0 -33
- package/skills/autoskill/scripts/match_skills.py +0 -46
- package/skills/autoskill/scripts/promote.py +0 -58
- package/skills/autoskill/scripts/redact.py +0 -40
- package/skills/autoskill/scripts/run.py +0 -194
- package/skills/autoskill/scripts/synthesize.py +0 -72
- package/skills/benchling-integration/references/api_endpoints.md +0 -883
- package/skills/benchling-integration/references/authentication.md +0 -390
- package/skills/benchling-integration/references/core_capabilities.md +0 -355
- package/skills/benchling-integration/references/eventbridge.md +0 -255
- package/skills/benchling-integration/references/sdk_reference.md +0 -772
- package/skills/bids/references/beps.yml +0 -637
- package/skills/bids/references/bids_schema.json +0 -21015
- package/skills/bids/references/bids_specification.md +0 -165
- package/skills/bids/references/conversion_tools.md +0 -475
- package/skills/bids/references/core_workflows.md +0 -552
- package/skills/bids/references/metadata_fields.md +0 -365
- package/skills/bids/scripts/update_schema.py +0 -89
- package/skills/biopython/references/advanced.md +0 -580
- package/skills/biopython/references/alignment.md +0 -377
- package/skills/biopython/references/blast.md +0 -463
- package/skills/biopython/references/databases.md +0 -492
- package/skills/biopython/references/phylogenetics.md +0 -566
- package/skills/biopython/references/sequence_io.md +0 -289
- package/skills/biopython/references/structure.md +0 -564
- package/skills/bioservices/references/identifier_mapping.md +0 -685
- package/skills/bioservices/references/services_reference.md +0 -638
- package/skills/bioservices/references/workflow_patterns.md +0 -813
- package/skills/bioservices/scripts/batch_id_converter.py +0 -347
- package/skills/bioservices/scripts/compound_cross_reference.py +0 -387
- package/skills/bioservices/scripts/pathway_analysis.py +0 -309
- package/skills/bioservices/scripts/protein_analysis_workflow.py +0 -441
- package/skills/bulk-rnaseq/references/counts-and-handoff.md +0 -91
- package/skills/bulk-rnaseq/references/design-and-qc.md +0 -68
- package/skills/bulk-rnaseq/references/upstream-manual.md +0 -128
- package/skills/bulk-rnaseq/references/upstream-nfcore.md +0 -108
- package/skills/bulk-rnaseq/scripts/build_counts_matrix.py +0 -203
- package/skills/bulk-rnaseq/scripts/validate_samplesheet.py +0 -206
- package/skills/cellxgene-census/references/census_schema.md +0 -218
- package/skills/cellxgene-census/references/common_patterns.md +0 -368
- package/skills/cellxgene-census/references/core_workflow_patterns.md +0 -297
- package/skills/cirq/references/building.md +0 -307
- package/skills/cirq/references/experiments.md +0 -572
- package/skills/cirq/references/hardware.md +0 -527
- package/skills/cirq/references/noise.md +0 -514
- package/skills/cirq/references/simulation.md +0 -353
- package/skills/cirq/references/transformation.md +0 -416
- package/skills/citation-management/assets/bibtex_template.bib +0 -264
- package/skills/citation-management/assets/citation_checklist.md +0 -386
- package/skills/citation-management/references/best_practices.md +0 -91
- package/skills/citation-management/references/bibtex_formatting.md +0 -908
- package/skills/citation-management/references/citation_validation.md +0 -835
- package/skills/citation-management/references/core_workflow.md +0 -569
- package/skills/citation-management/references/example_workflows.md +0 -126
- package/skills/citation-management/references/google_scholar_search.md +0 -732
- package/skills/citation-management/references/metadata_extraction.md +0 -870
- package/skills/citation-management/references/pubmed_search.md +0 -839
- package/skills/citation-management/references/script_reference.md +0 -250
- package/skills/citation-management/references/search_strategies.md +0 -110
- package/skills/citation-management/scripts/_common.py +0 -331
- package/skills/citation-management/scripts/doi_to_bibtex.py +0 -204
- package/skills/citation-management/scripts/extract_metadata.py +0 -690
- package/skills/citation-management/scripts/format_bibtex.py +0 -356
- package/skills/citation-management/scripts/search_google_scholar.py +0 -268
- package/skills/citation-management/scripts/search_openalex.py +0 -297
- package/skills/citation-management/scripts/search_pubmed.py +0 -419
- package/skills/citation-management/scripts/validate_citations.py +0 -688
- package/skills/clinical-decision-support/assets/aggregate_cohort_table_template.json +0 -114
- package/skills/clinical-decision-support/assets/aggregate_model_evaluation_template.json +0 -115
- package/skills/clinical-decision-support/assets/artifact_intended_use_template.json +0 -81
- package/skills/clinical-decision-support/assets/decision_logic_traceability_template.json +0 -108
- package/skills/clinical-decision-support/assets/deidentification_checklist_template.json +0 -176
- package/skills/clinical-decision-support/assets/evidence_profile_template.json +0 -139
- package/skills/clinical-decision-support/assets/survival_analysis_plan_template.json +0 -134
- package/skills/clinical-decision-support/references/cohort_evaluation.md +0 -142
- package/skills/clinical-decision-support/references/decision_logic_traceability.md +0 -146
- package/skills/clinical-decision-support/references/evidence_profiles.md +0 -153
- package/skills/clinical-decision-support/references/model_biomarker_evaluation.md +0 -152
- package/skills/clinical-decision-support/references/privacy_and_disclosure.md +0 -144
- package/skills/clinical-decision-support/references/regulatory_and_governance.md +0 -104
- package/skills/clinical-decision-support/references/safety_and_scope.md +0 -103
- package/skills/clinical-decision-support/references/security_validation.md +0 -60
- package/skills/clinical-decision-support/references/sources.md +0 -119
- package/skills/clinical-decision-support/references/study_reporting.md +0 -134
- package/skills/clinical-decision-support/references/survival_analysis.md +0 -156
- package/skills/clinical-decision-support/scripts/_common.py +0 -223
- package/skills/clinical-decision-support/scripts/cohort_table_generator.py +0 -288
- package/skills/clinical-decision-support/scripts/decision_logic_traceability.py +0 -313
- package/skills/clinical-decision-support/scripts/deidentification_checklist.py +0 -260
- package/skills/clinical-decision-support/scripts/evidence_profile_check.py +0 -259
- package/skills/clinical-decision-support/scripts/model_biomarker_evaluation.py +0 -345
- package/skills/clinical-decision-support/scripts/survival_plan_validator.py +0 -294
- package/skills/clinical-decision-support/scripts/validate_cds_artifact.py +0 -269
- package/skills/clinical-reports/assets/adverse_event_aggregate_input_template.csv +0 -1
- package/skills/clinical-reports/assets/case_report_template.json +0 -43
- package/skills/clinical-reports/assets/clinical_trial_csr_template.json +0 -51
- package/skills/clinical-reports/assets/clinical_trial_results_template.json +0 -66
- package/skills/clinical-reports/assets/clinical_trial_safety_aggregate_template.json +0 -49
- package/skills/clinical-reports/assets/consistency_manifest_template.json +0 -15
- package/skills/clinical-reports/assets/deidentification_process_checklist.json +0 -56
- package/skills/clinical-reports/assets/lab_report_template.json +0 -36
- package/skills/clinical-reports/assets/pathology_report_template.json +0 -36
- package/skills/clinical-reports/assets/provenance_manifest_template.json +0 -17
- package/skills/clinical-reports/assets/quality_review_checklist.json +0 -34
- package/skills/clinical-reports/assets/radiology_report_template.json +0 -34
- package/skills/clinical-reports/assets/research_summary_template.json +0 -36
- package/skills/clinical-reports/assets/terminology_manifest_template.json +0 -11
- package/skills/clinical-reports/assets/trial_protocol_reporting_checklist.json +0 -70
- package/skills/clinical-reports/references/case_report_guidelines.md +0 -72
- package/skills/clinical-reports/references/clinical_trial_reporting.md +0 -97
- package/skills/clinical-reports/references/data_presentation.md +0 -92
- package/skills/clinical-reports/references/diagnostic_reports_standards.md +0 -76
- package/skills/clinical-reports/references/medical_terminology.md +0 -84
- package/skills/clinical-reports/references/privacy_and_deidentification.md +0 -84
- package/skills/clinical-reports/references/professional_review.md +0 -78
- package/skills/clinical-reports/references/report_type_routing.md +0 -57
- package/skills/clinical-reports/references/safety_reporting.md +0 -109
- package/skills/clinical-reports/references/sources.md +0 -75
- package/skills/clinical-reports/scripts/_common.py +0 -263
- package/skills/clinical-reports/scripts/check_deidentification.py +0 -298
- package/skills/clinical-reports/scripts/consistency_checker.py +0 -390
- package/skills/clinical-reports/scripts/format_adverse_events.py +0 -455
- package/skills/clinical-reports/scripts/generate_report_template.py +0 -115
- package/skills/clinical-reports/scripts/provenance_validator.py +0 -263
- package/skills/clinical-reports/scripts/terminology_validator.py +0 -277
- package/skills/clinical-reports/scripts/validate_case_report.py +0 -278
- package/skills/clinical-reports/scripts/validate_trial_report.py +0 -534
- package/skills/cobrapy/references/api_quick_reference.md +0 -665
- package/skills/cobrapy/references/workflows.md +0 -600
- package/skills/consciousness-council/references/advanced-configurations.md +0 -96
- package/skills/dask/references/arrays.md +0 -495
- package/skills/dask/references/bags.md +0 -468
- package/skills/dask/references/best-practices.md +0 -277
- package/skills/dask/references/dataframes.md +0 -370
- package/skills/dask/references/futures.md +0 -541
- package/skills/dask/references/schedulers.md +0 -517
- package/skills/database-lookup/references/addgene.md +0 -38
- package/skills/database-lookup/references/alphafold.md +0 -52
- package/skills/database-lookup/references/alphavantage.md +0 -261
- package/skills/database-lookup/references/bea.md +0 -409
- package/skills/database-lookup/references/bindingdb.md +0 -85
- package/skills/database-lookup/references/biogrid.md +0 -110
- package/skills/database-lookup/references/bls.md +0 -235
- package/skills/database-lookup/references/brenda.md +0 -71
- package/skills/database-lookup/references/cbioportal.md +0 -206
- package/skills/database-lookup/references/census.md +0 -251
- package/skills/database-lookup/references/chebi.md +0 -103
- package/skills/database-lookup/references/chembl.md +0 -80
- package/skills/database-lookup/references/clinicaltrials.md +0 -86
- package/skills/database-lookup/references/clinpgx.md +0 -64
- package/skills/database-lookup/references/clinvar.md +0 -91
- package/skills/database-lookup/references/cod.md +0 -121
- package/skills/database-lookup/references/cosmic.md +0 -59
- package/skills/database-lookup/references/dailymed.md +0 -65
- package/skills/database-lookup/references/database_selection_guide.md +0 -166
- package/skills/database-lookup/references/datacommons.md +0 -237
- package/skills/database-lookup/references/dbsnp.md +0 -143
- package/skills/database-lookup/references/disgenet.md +0 -52
- package/skills/database-lookup/references/drugbank.md +0 -54
- package/skills/database-lookup/references/ecb.md +0 -191
- package/skills/database-lookup/references/emdb.md +0 -37
- package/skills/database-lookup/references/ena.md +0 -372
- package/skills/database-lookup/references/encode.md +0 -47
- package/skills/database-lookup/references/ensembl.md +0 -539
- package/skills/database-lookup/references/epa.md +0 -232
- package/skills/database-lookup/references/eurostat.md +0 -237
- package/skills/database-lookup/references/fda.md +0 -64
- package/skills/database-lookup/references/federal-reserve.md +0 -216
- package/skills/database-lookup/references/fred.md +0 -297
- package/skills/database-lookup/references/gene-ontology.md +0 -147
- package/skills/database-lookup/references/geo.md +0 -130
- package/skills/database-lookup/references/gnomad.md +0 -93
- package/skills/database-lookup/references/gtex.md +0 -136
- package/skills/database-lookup/references/gwas-catalog.md +0 -46
- package/skills/database-lookup/references/hca.md +0 -35
- package/skills/database-lookup/references/hpo.md +0 -48
- package/skills/database-lookup/references/human-protein-atlas.md +0 -57
- package/skills/database-lookup/references/interpro.md +0 -120
- package/skills/database-lookup/references/jaspar.md +0 -50
- package/skills/database-lookup/references/kegg.md +0 -78
- package/skills/database-lookup/references/lincs-l1000.md +0 -68
- package/skills/database-lookup/references/materials-project.md +0 -123
- package/skills/database-lookup/references/metabolomics-workbench.md +0 -98
- package/skills/database-lookup/references/monarch.md +0 -46
- package/skills/database-lookup/references/mousemine.md +0 -40
- package/skills/database-lookup/references/nasa-exoplanet-archive.md +0 -112
- package/skills/database-lookup/references/nasa.md +0 -121
- package/skills/database-lookup/references/ncbi-gene.md +0 -64
- package/skills/database-lookup/references/ncbi-protein.md +0 -104
- package/skills/database-lookup/references/ncbi-taxonomy.md +0 -121
- package/skills/database-lookup/references/nist.md +0 -105
- package/skills/database-lookup/references/noaa.md +0 -199
- package/skills/database-lookup/references/omim.md +0 -114
- package/skills/database-lookup/references/opentargets.md +0 -459
- package/skills/database-lookup/references/openweathermap.md +0 -255
- package/skills/database-lookup/references/pdb.md +0 -121
- package/skills/database-lookup/references/pride.md +0 -74
- package/skills/database-lookup/references/pubchem.md +0 -145
- package/skills/database-lookup/references/quickgo.md +0 -45
- package/skills/database-lookup/references/reactome.md +0 -140
- package/skills/database-lookup/references/retrieval-contract.md +0 -123
- package/skills/database-lookup/references/rummageo.md +0 -32
- package/skills/database-lookup/references/sdss.md +0 -130
- package/skills/database-lookup/references/sec-edgar.md +0 -315
- package/skills/database-lookup/references/simbad.md +0 -405
- package/skills/database-lookup/references/sra.md +0 -149
- package/skills/database-lookup/references/string.md +0 -283
- package/skills/database-lookup/references/tcga-gdc.md +0 -58
- package/skills/database-lookup/references/treasury.md +0 -215
- package/skills/database-lookup/references/ucsc-genome.md +0 -135
- package/skills/database-lookup/references/uniprot.md +0 -283
- package/skills/database-lookup/references/usgs.md +0 -260
- package/skills/database-lookup/references/uspto.md +0 -130
- package/skills/database-lookup/references/who.md +0 -283
- package/skills/database-lookup/references/worldbank.md +0 -239
- package/skills/database-lookup/references/zinc.md +0 -202
- package/skills/datamol/references/conformers_module.md +0 -131
- package/skills/datamol/references/core_api.md +0 -136
- package/skills/datamol/references/core_workflows.md +0 -451
- package/skills/datamol/references/descriptors_viz.md +0 -195
- package/skills/datamol/references/fragments_scaffolds.md +0 -174
- package/skills/datamol/references/io_module.md +0 -112
- package/skills/datamol/references/reactions_data.md +0 -218
- package/skills/datamol/references/workflow_patterns.md +0 -104
- package/skills/deepchem/references/api_reference.md +0 -305
- package/skills/deepchem/references/core_capabilities.md +0 -276
- package/skills/deepchem/references/typical_workflows.md +0 -109
- package/skills/deepchem/references/workflows.md +0 -491
- package/skills/deepchem/scripts/graph_neural_network.py +0 -350
- package/skills/deepchem/scripts/predict_solubility.py +0 -223
- package/skills/deepchem/scripts/transfer_learning.py +0 -443
- package/skills/deepspot-m/references/api.md +0 -186
- package/skills/deepspot-m/references/whole_slide.md +0 -174
- package/skills/deeptools/assets/quick_reference.md +0 -65
- package/skills/deeptools/references/core_workflows.md +0 -134
- package/skills/deeptools/references/effective_genome_sizes.md +0 -118
- package/skills/deeptools/references/normalization_methods.md +0 -424
- package/skills/deeptools/references/tools_reference.md +0 -569
- package/skills/deeptools/references/workflows.md +0 -476
- package/skills/deeptools/scripts/validate_files.py +0 -195
- package/skills/deeptools/scripts/workflow_generator.py +0 -520
- package/skills/depmap/references/dependency_analysis.md +0 -178
- package/skills/dhdna-profiler/references/advanced-profiling.md +0 -72
- package/skills/diffdock/assets/batch_template.csv +0 -4
- package/skills/diffdock/assets/custom_inference_config.yaml +0 -94
- package/skills/diffdock/references/confidence_and_limitations.md +0 -182
- package/skills/diffdock/references/parameters_reference.md +0 -173
- package/skills/diffdock/references/workflows_examples.md +0 -401
- package/skills/diffdock/scripts/analyze_results.py +0 -346
- package/skills/diffdock/scripts/prepare_batch_csv.py +0 -257
- package/skills/diffdock/scripts/setup_check.py +0 -283
- package/skills/dnanexus-integration/references/app-development.md +0 -371
- package/skills/dnanexus-integration/references/authentication.md +0 -226
- package/skills/dnanexus-integration/references/configuration.md +0 -444
- package/skills/dnanexus-integration/references/data-operations.md +0 -474
- package/skills/dnanexus-integration/references/job-execution.md +0 -482
- package/skills/dnanexus-integration/references/operations-and-troubleshooting.md +0 -506
- package/skills/dnanexus-integration/references/python-sdk.md +0 -548
- package/skills/dnanexus-integration/references/sources.md +0 -168
- package/skills/dnanexus-integration/references/workflow-languages.md +0 -292
- package/skills/dnanexus-integration/scripts/inspect_dxpy.py +0 -366
- package/skills/dnanexus-integration/scripts/validate_dxapp.py +0 -796
- package/skills/docx/LICENSE.txt +0 -30
- package/skills/docx/scripts/__init__.py +0 -1
- package/skills/docx/scripts/accept_changes.py +0 -135
- package/skills/docx/scripts/comment.py +0 -368
- package/skills/docx/scripts/merge_runs.py +0 -310
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- package/skills/xlsx/scripts/office/schemas/microsoft/wml-cid-2016.xsd +0 -13
- package/skills/xlsx/scripts/office/schemas/microsoft/wml-sdtdatahash-2020.xsd +0 -4
- package/skills/xlsx/scripts/office/schemas/microsoft/wml-symex-2015.xsd +0 -8
- package/skills/xlsx/scripts/office/soffice.py +0 -232
- package/skills/xlsx/scripts/office/validate.py +0 -173
- package/skills/xlsx/scripts/office/validators/__init__.py +0 -15
- package/skills/xlsx/scripts/office/validators/base.py +0 -875
- package/skills/xlsx/scripts/office/validators/docx.py +0 -466
- package/skills/xlsx/scripts/office/validators/pptx.py +0 -441
- package/skills/xlsx/scripts/office/validators/redlining.py +0 -299
- package/skills/xlsx/scripts/recalc.py +0 -308
- package/skills/zarr-python/references/api_reference.md +0 -162
- package/skills/zarr-python/references/chunking_and_compression.md +0 -138
- package/skills/zarr-python/references/integration.md +0 -147
- package/skills/zarr-python/references/performance_and_patterns.md +0 -198
- package/skills/zarr-python/references/storage_backends.md +0 -91
- package/skills/zarr-python/references/v3_migration.md +0 -127
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# Forcing, operators, MPI, extensions, and migrations
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## Forcing architecture
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FluidSim assembles forcing classes through the selected solver's registry.
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NS2D 0.9 advertises:
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- `in_script`
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- `in_script_coarse`
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- `pseudo_spectral`
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- `proportional`
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Availability and default forced variable are solver-specific.
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Base fields:
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```python
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params.forcing.enable = True
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params.forcing.type = "tcrandom"
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params.forcing.forcing_rate = 1.0
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params.forcing.key_forced = None
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params.forcing.nkmin_forcing = 4
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params.forcing.nkmax_forcing = 5
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params.forcing.tcrandom.time_correlation = "based_on_forcing_rate"
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```
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Current source converts `nkmin_forcing`/`nkmax_forcing` to dimensional
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wave-number bounds using the operator's wave-number spacing. Inspect the
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resulting forced region; the integers are not necessarily physical wave
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numbers.
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### Normalization
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Current normalized-forcing fields include:
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```python
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params.forcing.normalized.constant_rate_of = None
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params.forcing.normalized.type = "2nd_degree_eq"
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params.forcing.normalized.which_root = "minabs"
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```
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The implementation can solve a quadratic normalization so the time-step-mean
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injection of a quadratic quantity matches `forcing_rate`. The exact quadratic
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quantity and key depend on the solver/forced field. Therefore:
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- State the intended injected invariant and units.
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- Confirm `key_forced`.
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- Measure forcing power in output.
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- Check the global/spectral budget using the same convention.
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- Test time-step sensitivity of the measured injection.
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Do not call `forcing_rate` “energy input” without verifying the selected class.
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### Time-correlated random forcing
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The 0.9 field is:
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```python
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params.forcing.tcrandom.time_correlation = "based_on_forcing_rate"
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```
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or a finite time value. Current source derives the default period as a power of
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the forcing rate and stores two random seeds plus the last-change time in state
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parameters. FluidSim 0.9.0 writes these state parameters into restart files;
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0.8.6 fixed a time-correlated forcing restart bug.
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- Initial random seed strategy.
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- Saved forcing state parameters.
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- MPI rank count/decomposition and package versions.
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- Correlation-time setting and measured autocorrelation.
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- Restart boundary diagnostics.
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### In-script forcing
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Use the solver's registered `InScriptForcing*` interface and documented
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`compute_forcing_fft_each_time` or coarse equivalent. Do not monkey-patch a
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method with a lambda copied from an old example:
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- State keys have changed in some solvers.
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Implement a reviewed subclass/extension with unit tests on tiny sequential and
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MPI layouts. Validate zero-net/target injection, symmetry, and budget effects.
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## Operators and array ownership
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calculus, projections, spectra, dealiasing, and distributed-array helpers.
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Method names and array layouts depend on operator class.
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- Full global arrays on every rank.
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- A Fourier mode has the same local index under another backend/rank count.
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- All FFT backends use the same spectral shape.
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- A gathered array fits rank-0 memory.
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- Direct NumPy sums have the same normalization as
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`oper.sum_wavenumbers`.
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Use documented operator methods and inspect:
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```python
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print(type(sim.oper))
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print(sim.oper.axes)
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print(sim.params.oper)
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```
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For custom diagnostics, test sequential and distributed shapes and compare
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against analytical transforms at tiny resolution.
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## Dealiasing
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The common Cartesian field is:
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```python
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params.oper.truncation_shape = "cubic"
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```
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FluidSim also implements phase-shift time schemes. A coefficient or scheme name
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does not prove alias removal for a custom nonlinearity. Verify:
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- Polynomial/nonlinear form and expected alias interactions.
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- Where dealiasing is applied.
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- Truncation geometry.
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- Spectral tails and invariant transfer.
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- Results under stricter truncation or exact phase-shift method.
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Do not combine an aggressive cutoff and high-order dissipation merely to obtain
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a visually smooth spectrum.
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## Time schemes
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Documented pseudospectral names:
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- `Euler_phaseshift`
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- `Euler_phaseshift_random`
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- `RK2`
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- `RK2_trapezoid`
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- `RK2_phaseshift`
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- `RK2_phaseshift_random`
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- `RK2_phaseshift_random_split`
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- `RK2_phaseshift_exact`
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- `RK4`
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The implementation treats linear terms with exact coefficients in its
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pseudospectral stepper and evaluates nonlinear tendencies according to the
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named scheme. Verify source and solver coupling before making an order/stability
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claim.
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Always check:
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- Advective CFL.
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- Diffusive/hyperdiffusive limits.
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- Forcing correlation and output cadence relative to `deltat`.
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- Smaller `cfl_coef`/`deltat_max` comparison.
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`USE_CFL=True` only activates the solver's CFL logic; it does not guarantee all
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accuracy/stability constraints are resolved.
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## Custom initial conditions
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`in_script` gives direct control, but use current state keys:
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3. Fill canonical physical or spectral variables.
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5. Apply projection/dealiasing/constraints as required.
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6. Save an initialization checkpoint and verify budgets before stepping.
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Old examples that fill `vx`/`vy` and then call a
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spectral-to-physical conversion can overwrite the intended state. NS2D 0.9
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documentation shows physical keys including `ux`, `uy`, and `rot`; use the
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selected solver's actual keys.
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## Extending a solver
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FluidSim's `InfoSolver`/class registry supports extensions. For a research
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extension:
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- Pin FluidSim/FluidSim Core source and version.
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class mechanism.
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- Register state variables, operators, initialization, forcing, outputs, and
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restart state explicitly.
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- Define nonlinear tendencies with documented sign and normalization.
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- Benchmark only after correctness tests.
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Avoid private-method snippets from old versions without source review.
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## FluidFFT backend selection
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Installed methods are entry points. Discover them:
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```python
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from fluidfft import get_methods
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print(sorted(get_methods(ndim=2)))
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print(sorted(get_methods(ndim=3)))
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```
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Set per run:
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```python
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params.oper.type_fft = "fft2d.with_pyfftw"
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```
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or use `FLUIDSIM_TYPE_FFT2D`/`FLUIDSIM_TYPE_FFT3D` before process start.
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Record actual method and plugin distribution.
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FluidFFT's 2019 primary paper demonstrates:
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- Unified C++/Python APIs for multiple FFT libraries.
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- One-dimensional and pencil/two-dimensional MPI decompositions.
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- Hardware/shape/process-count-dependent fastest methods.
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- Scaling beyond the limits of slab decomposition in the tested cases.
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Do not transfer its fastest-method or wall-time numbers to current hardware.
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Benchmark a bounded representative shape in the target environment.
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## MPI planning and safety
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Never call `mpirun`, `mpiexec`, `srun`, `qsub`, `sbatch`, OAR tools, or a
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FluidDyn cluster submitter automatically.
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Required preflight:
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- Written resource estimate and output estimate.
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- Approved allocation and partition/account.
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- Exact MPI implementation/ABI and launcher.
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- FFT plugin/native library compatibility.
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- Rank/thread placement and oversubscription check.
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- Per-rank local shapes and no zero-sized unsupported decomposition.
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- Memory/rank and rank-0 gather/output risk.
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- Wall-time signal/checkpoint behavior.
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- Filesystem quota, inode count, stripe policy, and cleanup.
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- Tiny serial then two-rank smoke.
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- Restart plan with immutable parent state.
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Output behavior can differ with MPI-enabled h5py. Standard h5py usually causes
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rank 0 to write assembled state; MPI h5py can use an `mpio` driver. Verify the
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locked h5py build and output path with a tiny test.
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## Parametric studies
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1. Materialize one strict config per case.
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2. Assign a stable case ID and seed.
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3. Validate/estimate each case.
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5. Generate scripts only.
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6. Review sampling design and avoid changing multiple factors ambiguously.
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7. Submit through an approved external workflow.
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8. Track failures/missing cases without silently resampling.
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Analyze observables with refinement and stochastic uncertainty, not only final
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values.
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## Checkpoint and restart
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Physical-state saving is checkpoint creation:
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```python
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params.output.periods_save.phys_fields = 1.0
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```
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But checkpoint usability requires:
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- Complete `/state_phys` datasets.
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- `/info_simul/params` and solver metadata.
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- 0.9 state parameters where needed.
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- Matching solver/grid/domain/state.
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- SHA-256 and parent lineage.
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- Enough disk for parent and child.
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Use the bundled compatibility checker before every continuation. A mechanically
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compatible state can still be scientifically invalid after changed viscosity,
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forcing, timestep, backend, or resolution.
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## Migration notes to 0.9.0
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### 0.9.0 (release notes dated 2025-12-03)
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- Restart files store state parameters.
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- Added basic physical-field utilities.
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- Fixed restart filenames.
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- Improved post-initialization information and profile analysis.
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### 0.8.6 (2025-11-23)
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- h5netcdf 1.7 compatibility.
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- Fixed incorrect restart for time-correlated forcing.
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### 0.8.5 (2025-10-23)
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- Python 3.14 support.
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### 0.8.2 (2024-08-17)
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- Python 3.12, NumPy 2.0, and mpi4py 4.0 compatibility.
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### 0.8.0 (2024-01-31)
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- Meson/meson-python build system.
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Practical migrations from the previous skill:
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- Pseudospectral defaults need the `fft` extra.
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- Use `time_stepping.cfl_coef`, not `CFL`.
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- Use `forcing.tcrandom.time_correlation`, not a flat field.
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- Use `plate2d`, not `fvk`.
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- Physical states default to `.nc`, not `.h5`; spectra remain `.h5`.
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- Use `spect_energy_budg.h5`, not a timestamped budget glob.
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- Prefer `load_for_restart`/`fluidsim-restart --only-check`; preserve state
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parameters and hashes.
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- Do not advertise ParaView direct compatibility without an explicit tested
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conversion/plugin.
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## Sources (verified 2026-07-23)
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- [FluidSim forcing base source](https://github.com/fluiddyn/fluidsim/blob/branch/default/fluidsim/base/forcing/base.py).
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- [Specific forcing source](https://github.com/fluiddyn/fluidsim/blob/branch/default/fluidsim/base/forcing/specific.py).
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- [Pseudospectral time-step API](https://fluidsim.readthedocs.io/en/latest/generated/fluidsim.base.time_stepping.pseudo_spect.html).
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- [FluidSim development tutorial](https://fluidsim.readthedocs.io/en/latest/ipynb/tuto_dev.html).
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- [FluidSim release notes](https://fluidsim.readthedocs.io/en/latest/changes.html).
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- [FluidFFT plugins](https://fluidfft.readthedocs.io/en/latest/plugins.html).
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- [FluidFFT supported libraries](https://fluidfft.readthedocs.io/en/latest/install/fft_libs.html).
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- Mohanan et al., [FluidFFT primary paper](https://doi.org/10.5334/jors.238),
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published 2019-04-01.
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- Mohanan et al., [FluidSim primary paper](https://doi.org/10.5334/jors.239),
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published 2019-04-26.
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# Installation, native dependencies, and backends
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## Supported baseline
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Verified 2026-07-23:
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- `fluidsim==0.9.0`, released on PyPI 2025-12-04.
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- FluidSim package metadata requires Python `>=3.11` and classifies Python
|
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3.11–3.14.
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- `fluidsim-core==0.9.0`, released 2025-12-03.
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- `fluidfft==0.4.5`, released 2025-10-13, requires Python `>=3.11`.
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- `pyFFTW==0.15.1`, released 2025-10-22, requires Python `>=3.11`.
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- `mpi4py==4.1.2`, released 2026-05-16, requires Python `>=3.8`.
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The FluidSim installation page still says Python `>=3.9`; current PyPI and
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`pyproject.toml` metadata say `>=3.11`. Use the package metadata for 0.9.0.
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FluidSim 0.9.0 declares:
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- Core: `fluidsim-core>=0.8.6,<0.9.1`, `h5py`, `h5netcdf`,
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`transonic>=0.6.2`, `xarray`, `rich`, `matplotlib>=3.3`, and `scipy`.
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- `fft`: `pyfftw>=0.10.4`, `fluidfft>=0.4.0`.
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- `mpi`: `mpi4py`.
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- Other extras: `test`, `test-mpi`, and `pulp`.
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The broad upstream constraints are compatibility ranges, not a reproducible
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environment. Record the generated lock and artifact hashes.
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## Reproducible uv environment
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Preferred project workflow:
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```bash
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uv init --python 3.11
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uv add "fluidsim[fft]==0.9.0" "fluidfft==0.4.5" "pyFFTW==0.15.1"
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uv lock
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uv sync --frozen
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```
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Check the lock into the study repository. Record:
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- `uv.lock` SHA-256 and target platform.
|
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- Python implementation/build.
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- FluidSim, FluidSim Core, FluidDyn, FluidFFT, Transonic, Pythran, NumPy,
|
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SciPy, h5py, h5netcdf, xarray, and pyFFTW versions.
|
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- Wheel/sdist hashes and package index.
|
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- Compiler and native-library versions if any package builds locally.
|
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|
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For an isolated smoke environment:
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|
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```bash
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uv venv --python 3.11
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uv pip install "fluidsim[fft]==0.9.0" "fluidfft==0.4.5" "pyFFTW==0.15.1"
|
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```
|
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|
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|
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This pins direct dependencies but does not replace a lock for transitive
|
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reproducibility.
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Bare `fluidsim==0.9.0` supports parts of the framework and analysis stack, but a
|
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verified local smoke test found that importing NS2D succeeded while
|
|
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`Simul.create_default_params()` failed without `fluidfft`. Install the `fft`
|
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|
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extra for pseudospectral solvers.
|
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|
-
|
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## Sequential FFT choices
|
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The non-compiling path is:
|
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|
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```bash
|
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uv add "fluidsim[fft]==0.9.0" "fluidfft==0.4.5" "pyFFTW==0.15.1"
|
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```
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FluidFFT 0.4.5 registers:
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- `fft2d.with_pyfftw`
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- `fft3d.with_pyfftw`
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- `fft2d.with_dask` when Dask is installed
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The native FFTW plugin is separately versioned:
|
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|
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```bash
|
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uv add "fluidfft-fftw==0.0.1"
|
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```
|
|
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|
-
|
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The `0.0.1` plugin versions are stable PyPI releases from February 2024 and are
|
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versioned independently from FluidFFT 0.4.5; they are not proof of compatibility
|
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|
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with a particular native stack. Before installation, verify that each PyPI
|
|
87
|
-
project links to the official `fluiddyn/fluidfft` monorepo, review the plugin
|
|
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source, resolve through `uv.lock`, retain artifact hashes, and use
|
|
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`uv sync --frozen`. Do not trust a familiar distribution name alone.
|
|
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|
-
|
|
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It provides:
|
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|
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|
|
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- `fft2d.with_fftw1d`
|
|
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- `fft2d.with_fftw2d`
|
|
95
|
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- `fft3d.with_fftw3d`
|
|
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-
|
|
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It requires discoverable FFTW headers/libraries and a working native build
|
|
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toolchain. pyFFTW wheels bundle supported binaries on many 64-bit platforms;
|
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source builds require FFTW `>=3.3`, Cython, and a compiler.
|
|
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|
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Discover only methods actually installed on the current host:
|
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|
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```bash
|
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fluidfft-get-methods
|
|
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|
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```
|
|
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|
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|
|
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|
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Do not copy a method name from documentation and assume its plugin or ABI is
|
|
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usable. Run a tiny transform/FluidSim pilot and record the selected method.
|
|
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|
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|
|
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## MPI and distributed FFT
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Nothing in this skill launches MPI or submits a scheduler job. First identify:
|
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|
|
114
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- Site MPI implementation and version: Open MPI, MPICH derivative, Intel MPI,
|
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Cray MPICH, or another vendor stack.
|
|
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|
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- Compiler wrappers and ABI.
|
|
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|
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- FFTW and `fftw3_mpi` versions/build options.
|
|
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- Scheduler, process placement, cores/rank, threads/rank, memory/rank, wall time,
|
|
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|
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filesystem, and module/container environment.
|
|
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|
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|
|
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Then lock Python packages:
|
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|
|
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```bash
|
|
124
|
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uv add "mpi4py==4.1.2" \
|
|
125
|
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"fluidfft-mpi-with-fftw==0.0.1" \
|
|
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|
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"fluidfft-fftwmpi==0.0.1"
|
|
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|
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uv lock
|
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```
|
|
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-
|
|
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Plugin methods:
|
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|
|
132
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- `fluidfft-mpi-with-fftw==0.0.1`:
|
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`fft2d.mpi_with_fftw1d`, `fft3d.mpi_with_fftw1d`.
|
|
134
|
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- `fluidfft-fftwmpi==0.0.1`:
|
|
135
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`fft2d.mpi_with_fftwmpi2d`, `fft3d.mpi_with_fftwmpi3d`.
|
|
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- `fluidfft-p3dfft==0.0.1`:
|
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`fft3d.mpi_with_p3dfft`, requiring P3DFFT.
|
|
138
|
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- FluidFFT also declares `pfft` and `p3dfft` extras. Both require separately
|
|
139
|
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installed native MPI FFT libraries.
|
|
140
|
-
|
|
141
|
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The package names use hyphens on PyPI; FluidFFT's optional dependency keys map
|
|
142
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to distributions such as `fluidfft-mpi_with_fftw`. Let the lock resolve the
|
|
143
|
-
canonical distribution and preserve it.
|
|
144
|
-
|
|
145
|
-
`mpi4py` wheels still need a compatible MPI runtime. Convenience MPI wheels can
|
|
146
|
-
lack GPU awareness or site fabric support; mpi4py recommends system/vendor MPI
|
|
147
|
-
for production. Never mix an `mpi4py` build from one implementation with a
|
|
148
|
-
different launcher/runtime. Verify import and rank identity inside a manually
|
|
149
|
-
allocated tiny job before FluidSim.
|
|
150
|
-
|
|
151
|
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The primary FluidFFT paper shows that the fastest backend depends on array
|
|
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|
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shape, machine, and process count; one-dimensional decomposition can be useful
|
|
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|
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at low rank count, while pencil/two-dimensional decomposition is needed to
|
|
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|
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avoid decomposition limits at high rank count. These are benchmark-context
|
|
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|
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claims, not universal backend recommendations.
|
|
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|
-
|
|
157
|
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## GPU status
|
|
158
|
-
|
|
159
|
-
The 2019 FluidFFT paper describes a cuFFT path, and the repository README still
|
|
160
|
-
lists cuFFT. However:
|
|
161
|
-
|
|
162
|
-
- FluidFFT 0.4.5 `pyproject.toml` declares no CUDA dependency/extra or cuFFT
|
|
163
|
-
plugin entry point.
|
|
164
|
-
- The current supported-library page's CUDA section is an unfinished TODO.
|
|
165
|
-
- FluidSim 0.9.0 declares no GPU extra.
|
|
166
|
-
|
|
167
|
-
Therefore there is no supported one-line GPU installation in this skill. Do not
|
|
168
|
-
install `nvidia-cufft-*` and claim FluidSim acceleration: a runtime library alone
|
|
169
|
-
does not provide a registered FluidFFT method. A GPU experiment must pin CUDA,
|
|
170
|
-
driver, compiler, plugin source revision, Python packages, precision, hardware,
|
|
171
|
-
and validation tests separately.
|
|
172
|
-
|
|
173
|
-
## Native build prerequisites
|
|
174
|
-
|
|
175
|
-
Depending on selected plugins:
|
|
176
|
-
|
|
177
|
-
- C/C++11 and sometimes Fortran compilers.
|
|
178
|
-
- Meson/meson-python, Ninja, Pythran, Transonic, Cython, and development headers.
|
|
179
|
-
- FFTW3, threaded FFTW, and/or FFTW MPI.
|
|
180
|
-
- MPI compiler wrappers and runtime.
|
|
181
|
-
- PFFT or P3DFFT headers/libraries.
|
|
182
|
-
- BLAS configuration used by NumPy/Pythran.
|
|
183
|
-
- `CPATH`, `LIBRARY_PATH`, and runtime loader paths where site modules do not
|
|
184
|
-
provide them.
|
|
185
|
-
|
|
186
|
-
The P3DFFT plugin also recognizes `P3DFFT_DIR`, or
|
|
187
|
-
`P3DFFT_LIB_DIR`/`P3DFFT_INCLUDE_DIR`. Record values but never alter global shell
|
|
188
|
-
startup files automatically.
|
|
189
|
-
|
|
190
|
-
## HDF5 and netCDF4
|
|
191
|
-
|
|
192
|
-
FluidSim 0.9 physical-state files default to netCDF4/HDF5 `.nc`; spectra remain
|
|
193
|
-
HDF5 `.h5`. Standard h5py wheels are usually non-MPI, which is normally
|
|
194
|
-
appropriate because output is coordinated by FluidSim. Parallel HDF5 is a
|
|
195
|
-
separate native build requiring:
|
|
196
|
-
|
|
197
|
-
- MPI-enabled HDF5.
|
|
198
|
-
- `h5py` built from source against the same MPI.
|
|
199
|
-
- Matching compiler wrappers and runtime libraries.
|
|
200
|
-
|
|
201
|
-
Do not build MPI-enabled h5py merely because the simulation uses MPI. Confirm
|
|
202
|
-
the intended I/O path and test a tiny file first.
|
|
203
|
-
|
|
204
|
-
## Runtime paths and backend selection
|
|
205
|
-
|
|
206
|
-
Official variables:
|
|
207
|
-
|
|
208
|
-
```bash
|
|
209
|
-
export FLUIDSIM_PATH="/approved/bounded/results-root"
|
|
210
|
-
export FLUIDDYN_PATH_SCRATCH="/approved/bounded/scratch-root"
|
|
211
|
-
export FLUIDSIM_TYPE_FFT2D="fft2d.with_pyfftw"
|
|
212
|
-
export FLUIDSIM_TYPE_FFT3D="fft3d.with_pyfftw"
|
|
213
|
-
```
|
|
214
|
-
|
|
215
|
-
Set only after checking:
|
|
216
|
-
|
|
217
|
-
- Paths exist or will be created in an approved parent.
|
|
218
|
-
- No symlink redirects outside the allocation.
|
|
219
|
-
- Quota and inode limits cover the estimate.
|
|
220
|
-
- The method appears in `fluidfft-get-methods`.
|
|
221
|
-
- Scratch retention and purge policy are recorded.
|
|
222
|
-
|
|
223
|
-
Prefer `params.oper.type_fft` for an explicit per-run choice. Environment
|
|
224
|
-
variables affect process-wide behavior and must be captured in provenance.
|
|
225
|
-
|
|
226
|
-
FluidFFT is also sensitive to `TRANSONIC_BACKEND`; changing it changes generated
|
|
227
|
-
code/performance and belongs in provenance.
|
|
228
|
-
|
|
229
|
-
## Verification ladder
|
|
230
|
-
|
|
231
|
-
Run in this order:
|
|
232
|
-
|
|
233
|
-
1. Dependency-free bundled CLI helps.
|
|
234
|
-
2. Import/version/solver parameter smoke in an isolated pinned environment.
|
|
235
|
-
3. Tiny serial `8x8` or `16x16` no-output initialization and one step.
|
|
236
|
-
4. Tiny serial output round-trip and restart.
|
|
237
|
-
5. Backend-specific FFT test.
|
|
238
|
-
6. Manually allocated two-rank smoke, only if MPI is required.
|
|
239
|
-
7. Representative bounded pilot with resource monitoring.
|
|
240
|
-
|
|
241
|
-
Do not run the full upstream test suite or MPI tests on a login node without
|
|
242
|
-
approval; they can compile, spawn processes, and consume resources.
|
|
243
|
-
|
|
244
|
-
## Sources (verified 2026-07-23)
|
|
245
|
-
|
|
246
|
-
- [FluidSim PyPI](https://pypi.org/project/fluidsim/) — 0.9.0 metadata and
|
|
247
|
-
2025-12-04 release.
|
|
248
|
-
- [FluidSim 0.9 source metadata](https://github.com/fluiddyn/fluidsim/blob/branch/default/pyproject.toml)
|
|
249
|
-
— dependencies, extras, entry points, Python requirement.
|
|
250
|
-
- [Install and configure](https://fluidsim.readthedocs.io/en/latest/install.html)
|
|
251
|
-
— extras, native plugins, MPI/HDF5, and environment variables.
|
|
252
|
-
- [FluidFFT 0.4.5 source metadata](https://github.com/fluiddyn/fluidfft/blob/branch/default/pyproject.toml)
|
|
253
|
-
— plugin extras and methods.
|
|
254
|
-
- [Official FluidFFT plugin source tree](https://github.com/fluiddyn/fluidfft/tree/branch/default/plugins)
|
|
255
|
-
— provenance for separately distributed native plugins.
|
|
256
|
-
- [FluidFFT plugins](https://fluidfft.readthedocs.io/en/latest/plugins.html) and
|
|
257
|
-
[installation](https://fluidfft.readthedocs.io/en/latest/install.html).
|
|
258
|
-
- [pyFFTW PyPI](https://pypi.org/project/pyFFTW/) — 0.15.1 metadata and build
|
|
259
|
-
requirements.
|
|
260
|
-
- [mpi4py PyPI](https://pypi.org/project/mpi4py/) — 4.1.2 metadata and MPI ABI
|
|
261
|
-
guidance.
|
|
262
|
-
- [FluidFFT primary paper](https://doi.org/10.5334/jors.238), published
|
|
263
|
-
2019-04-01 — architecture and scoped backend/scaling benchmarks.
|