From a33572e2d1a20f0790363ede42c73efa2692c449 Mon Sep 17 00:00:00 2001 From: Tanjona Rabemananjara Date: Sun, 30 Nov 2025 22:01:05 +0100 Subject: [PATCH 1/7] Fix main error --- src/pineko/evolve.py | 37 ++++++++++++++++++++++++++++++------- src/pineko/theory.py | 3 +-- 2 files changed, 31 insertions(+), 9 deletions(-) diff --git a/src/pineko/evolve.py b/src/pineko/evolve.py index 79b6cca0..455d2852 100644 --- a/src/pineko/evolve.py +++ b/src/pineko/evolve.py @@ -287,9 +287,9 @@ def evolve_grid( xir: float, xif: float, xia: float, + theory_meta: dict, assumptions="Nf6Ind", comparison_pdfs: Optional[list[str]] = None, - meta_data=None, min_as=None, ): """Convolute grid with EKO from file paths. @@ -312,12 +312,12 @@ def evolve_grid( factorization scale variation xia : float fragmentation scale variation + tcard: dict + card containing the theory parameters assumptions : str assumptions on the flavor dimension comparison_pdfs : list(str) or None if given, a comparison table (with / without evolution) will be printed - meta_data : None or dict - if given, additional meta data written to the FK table min_as: None or int minimum power of strong coupling """ @@ -335,6 +335,7 @@ def evolve_grid( if "integrability_version" in grid.metadata: x_grid = np.append(x_grid, 1.0) + muf2_grid = evol_info.fac1 mur2_grid = evol_info.ren1 xif = 1.0 if operators[0].operator_card.configs.scvar_method is not None else xif tcard = operators[0].theory_card @@ -358,7 +359,31 @@ def evolve_grid( ren_grid2 = xir * xir * mur2_grid # NOTE: Currently, getting `nfgrid` from the first Operator is correct but this # might need to be addressed in the future - nfgrid = [x[1] for x in operators[0].operator_card.mugrid] + # TODO: Find a suitable way to avoid the following duplication. This should ideally + # be part of the operator card. + if not np.array_equal(muf2_grid, mur2_grid): + if check.is_num_fonll(theory_meta["FNS"]): + nfgrid = [int(theory_meta["NfFF"]) for _ in mur2_grid] + else: + q2mur_grid = (xir * xir * mur2_grid).tolist() + masses = ( + np.array([theory_meta["mc"], theory_meta["mb"], theory_meta["mt"]]) ** 2 + ) + thresholds_ratios = ( + np.array( + [theory_meta["kcThr"], theory_meta["kbThr"], theory_meta["ktThr"]] + ) + ** 2 + ) + for q in range(theory_meta["MaxNfPdf"] + 1, 6 + 1): + thresholds_ratios[q - 4] = np.inf + atlas = Atlas( + matching_scales=heavy_quarks.MatchingScales(masses * thresholds_ratios), + origin=(theory_meta["Q0"] ** 2, theory_meta["nf0"]), + ) + nfgrid = [nf_default(q2, atlas) for q2 in q2mur_grid] + else: + nfgrid = [x[1] for x in operators[0].operator_card.mugrid] alphas_values = [ 4.0 * np.pi * sc.a_s(mur2, nf_to=nf) for mur2, nf in zip(ren_grid2, nfgrid) ] @@ -415,9 +440,7 @@ def prepare(operator, convolution_types): ) fktable.set_metadata("pineko_version", version.__version__) - if meta_data is not None: - for k, v in meta_data.items(): - fktable.set_metadata(k, v) + fktable.set_metadata("theory_card", json.dumps(theory_meta)) # compare before/after comparison = None diff --git a/src/pineko/theory.py b/src/pineko/theory.py index 5cb53f78..4a8e3e36 100644 --- a/src/pineko/theory.py +++ b/src/pineko/theory.py @@ -6,7 +6,6 @@ commonly referred to as 'theory'. """ -import json import logging import time @@ -563,9 +562,9 @@ def fk(self, name, grid_path, tcard, pdfs): xir=xir, xif=xif, xia=xia, + theory_meta=tcard, assumptions=assumptions, comparison_pdfs=pdfs, - meta_data={"theory_card": json.dumps(tcard)}, ) if n_ekos > 1: From bdab918b8cfde343fb240fd27cf0fd6732473f72 Mon Sep 17 00:00:00 2001 From: Tanjona Rabemananjara Date: Mon, 1 Dec 2025 09:10:40 +0100 Subject: [PATCH 2/7] Clean up a bit --- src/pineko/evolve.py | 45 +++++++++++++++++++++----------------------- 1 file changed, 21 insertions(+), 24 deletions(-) diff --git a/src/pineko/evolve.py b/src/pineko/evolve.py index 455d2852..6175ea26 100644 --- a/src/pineko/evolve.py +++ b/src/pineko/evolve.py @@ -34,7 +34,6 @@ def sv_scheme(tcard): ---------- tcard : dict theory card - """ modsv_list = {a.value for a in ScaleVariationsMethod} xif = tcard["XIF"] @@ -49,6 +48,25 @@ def sv_scheme(tcard): return modsv +def construct_atals(tcard): + """Construct the atlas for heavy quarks matching. + + Parameters + ---------- + tcard : dict + theory card + """ + masses = np.array([tcard["mc"], tcard["mb"], tcard["mt"]]) ** 2 + thresholds_ratios = np.array([tcard["kcThr"], tcard["kbThr"], tcard["ktThr"]]) ** 2 + for q in range(tcard["MaxNfPdf"] + 1, 6 + 1): + thresholds_ratios[q - 4] = np.inf + atlas = Atlas( + matching_scales=heavy_quarks.MatchingScales(masses * thresholds_ratios), + origin=(tcard["Q0"] ** 2, tcard["nf0"]), + ) + return atlas + + def get_convolution_suffix(convolution: pineappl.convolutions.Conv) -> str: """Get the correct suffix for a given convolution. @@ -200,19 +218,12 @@ def write_operator_card( raise ValueError("Template declares a value of Q0, nf0 different from theory") q2_grid = (xif * xif * muf2_grid).tolist() - masses = np.array([tcard["mc"], tcard["mb"], tcard["mt"]]) ** 2 - thresholds_ratios = np.array([tcard["kcThr"], tcard["kbThr"], tcard["ktThr"]]) ** 2 - for q in range(tcard["MaxNfPdf"] + 1, 6 + 1): - thresholds_ratios[q - 4] = np.inf - atlas = Atlas( - matching_scales=heavy_quarks.MatchingScales(masses * thresholds_ratios), - origin=(tcard["Q0"] ** 2, tcard["nf0"]), - ) # If we are producing nFONLL FKs we need to look to NfFF... if check.is_num_fonll(tcard["FNS"]): nf = tcard["NfFF"] operators_card["mugrid"] = [(float(np.sqrt(q2)), int(nf)) for q2 in q2_grid] else: + atlas = construct_atals(tcard) operators_card["mugrid"] = [ (float(np.sqrt(q2)), nf_default(q2, atlas)) for q2 in q2_grid ] @@ -366,21 +377,7 @@ def evolve_grid( nfgrid = [int(theory_meta["NfFF"]) for _ in mur2_grid] else: q2mur_grid = (xir * xir * mur2_grid).tolist() - masses = ( - np.array([theory_meta["mc"], theory_meta["mb"], theory_meta["mt"]]) ** 2 - ) - thresholds_ratios = ( - np.array( - [theory_meta["kcThr"], theory_meta["kbThr"], theory_meta["ktThr"]] - ) - ** 2 - ) - for q in range(theory_meta["MaxNfPdf"] + 1, 6 + 1): - thresholds_ratios[q - 4] = np.inf - atlas = Atlas( - matching_scales=heavy_quarks.MatchingScales(masses * thresholds_ratios), - origin=(theory_meta["Q0"] ** 2, theory_meta["nf0"]), - ) + atlas = construct_atals(theory_meta) nfgrid = [nf_default(q2, atlas) for q2 in q2mur_grid] else: nfgrid = [x[1] for x in operators[0].operator_card.mugrid] From e99ecf97a9b606753fe135293a37d5e4480718a4 Mon Sep 17 00:00:00 2001 From: Tanjona Rabemananjara Date: Mon, 1 Dec 2025 09:26:52 +0100 Subject: [PATCH 3/7] Address tests and benchmark --- benchmarks/bench_evolve.py | 7 +++++-- src/pineko/cli/convolve.py | 1 + 2 files changed, 6 insertions(+), 2 deletions(-) diff --git a/benchmarks/bench_evolve.py b/benchmarks/bench_evolve.py index a22a7251..7da92ed8 100644 --- a/benchmarks/bench_evolve.py +++ b/benchmarks/bench_evolve.py @@ -98,9 +98,11 @@ def benchmark_dglap(tmp_path, test_files, test_configs): def benchmark_evolve_grid(tmp_path, lhapdf_path, test_files, test_pdf): - pine_path = test_files / "data/grids/400/HERA_NC_225GEV_EP_SIGMARED.pineappl.lz4" + tid = 400 + tcard = pineko.theory_card.load(tid) + pine_path = test_files / f"data/grids/{tid}/HERA_NC_225GEV_EP_SIGMARED.pineappl.lz4" pinegrid = pineappl.grid.Grid.read(pine_path) - eko_path = test_files / "data/ekos/400/HERA_NC_225GEV_EP_SIGMARED.tar" + eko_path = test_files / f"data/ekos/{tid}/HERA_NC_225GEV_EP_SIGMARED.tar" target_path = pathlib.Path(tmp_path / "test_fktable.pineappl.lz4") max_as = 3 max_al = 0 @@ -119,6 +121,7 @@ def benchmark_evolve_grid(tmp_path, lhapdf_path, test_files, test_pdf): xir=1.0, xif=1.0, xia=1.0, + theory_meta=tcard, assumptions=assumptions, comparison_pdfs=["NNPDF40_nnlo_as_01180"], ) diff --git a/src/pineko/cli/convolve.py b/src/pineko/cli/convolve.py index 9d6598d6..e06ee265 100644 --- a/src/pineko/cli/convolve.py +++ b/src/pineko/cli/convolve.py @@ -101,6 +101,7 @@ def subcommand( xir, xif, xia, + theory_meta={}, # TODO: fix or remove CLI completely assumptions=assumptions, comparison_pdfs=pdfs, min_as=min_as, From 57f60da19bd384e7a820720238bb5f6f7fe54c07 Mon Sep 17 00:00:00 2001 From: Tanjona Rabemananjara Date: Mon, 1 Dec 2025 09:49:55 +0100 Subject: [PATCH 4/7] Fix tiny typo --- src/pineko/evolve.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/pineko/evolve.py b/src/pineko/evolve.py index 6175ea26..ac80447d 100644 --- a/src/pineko/evolve.py +++ b/src/pineko/evolve.py @@ -48,7 +48,7 @@ def sv_scheme(tcard): return modsv -def construct_atals(tcard): +def construct_atlas(tcard): """Construct the atlas for heavy quarks matching. Parameters @@ -223,7 +223,7 @@ def write_operator_card( nf = tcard["NfFF"] operators_card["mugrid"] = [(float(np.sqrt(q2)), int(nf)) for q2 in q2_grid] else: - atlas = construct_atals(tcard) + atlas = construct_atlas(tcard) operators_card["mugrid"] = [ (float(np.sqrt(q2)), nf_default(q2, atlas)) for q2 in q2_grid ] @@ -377,7 +377,7 @@ def evolve_grid( nfgrid = [int(theory_meta["NfFF"]) for _ in mur2_grid] else: q2mur_grid = (xir * xir * mur2_grid).tolist() - atlas = construct_atals(theory_meta) + atlas = construct_atlas(theory_meta) nfgrid = [nf_default(q2, atlas) for q2 in q2mur_grid] else: nfgrid = [x[1] for x in operators[0].operator_card.mugrid] From f0376144edf409919891f2a3e6ac309699c92a76 Mon Sep 17 00:00:00 2001 From: Tanjona Rabemananjara Date: Mon, 1 Dec 2025 22:00:06 +0100 Subject: [PATCH 5/7] Adopt a consistent approach in propagating `tid` --- benchmarks/bench_cli.py | 17 ++++++++++++++--- src/pineko/cli/convolve.py | 7 +++++-- src/pineko/evolve.py | 17 +++++------------ 3 files changed, 24 insertions(+), 17 deletions(-) diff --git a/benchmarks/bench_cli.py b/benchmarks/bench_cli.py index 28a1af13..b6c35291 100644 --- a/benchmarks/bench_cli.py +++ b/benchmarks/bench_cli.py @@ -87,15 +87,26 @@ def benchmark_compare_cli(lhapdf_path, test_files, test_pdf): def benchmark_convolve_cli(test_files, tmp_path): + theoryid = 400 grid_path = pathlib.Path( - test_files / "data/grids/400/HERA_NC_225GEV_EP_SIGMARED.pineappl.lz4" + test_files / f"data/grids/{theoryid}/HERA_NC_225GEV_EP_SIGMARED.pineappl.lz4" + ) + eko_path = pathlib.Path( + test_files / f"data/ekos/{theoryid}/HERA_NC_225GEV_EP_SIGMARED.tar" ) - eko_path = pathlib.Path(test_files / "data/ekos/400/HERA_NC_225GEV_EP_SIGMARED.tar") fk_path = tmp_path / "testfk.pineappl.lz4" runner = CliRunner() result = runner.invoke( command, - ["convolve", str(fk_path), str(grid_path), "2", "0", str(eko_path)], + [ + "convolve", + str(fk_path), + str(grid_path), + str(theoryid), + "2", + "0", + str(eko_path), + ], ) assert "Optimizing for Nf6Ind" in result.output diff --git a/src/pineko/cli/convolve.py b/src/pineko/cli/convolve.py index e06ee265..83133f39 100644 --- a/src/pineko/cli/convolve.py +++ b/src/pineko/cli/convolve.py @@ -7,13 +7,14 @@ import rich import rich_click as click -from .. import evolve +from .. import evolve, theory_card from ._base import command @command.command("convolve") @click.argument("fktable", type=click.Path()) @click.argument("grid_path", type=click.Path(exists=True)) +@click.argument("theoryid", type=int) @click.argument("max_as", type=int) @click.argument("max_al", type=int) @click.argument("op_paths", type=click.Path(exists=True), nargs=-1) @@ -37,6 +38,7 @@ def subcommand( fktable, grid_path, + theoryid, max_as, max_al, op_paths, @@ -73,6 +75,7 @@ def subcommand( grid = pineappl.grid.Grid.read(grid_path) grid.optimize() n_ekos = len(op_paths) + tcard = theory_card.load(theoryid) with eko.EKO.edit(pathlib.Path(op_paths[0])) as first_operator: operators = [first_operator] path_operators = f"[+] {op_paths[0]}\n" @@ -101,7 +104,7 @@ def subcommand( xir, xif, xia, - theory_meta={}, # TODO: fix or remove CLI completely + theory_meta=tcard, assumptions=assumptions, comparison_pdfs=pdfs, min_as=min_as, diff --git a/src/pineko/evolve.py b/src/pineko/evolve.py index ac80447d..c0cb63e5 100644 --- a/src/pineko/evolve.py +++ b/src/pineko/evolve.py @@ -368,19 +368,12 @@ def evolve_grid( # To compute the alphas values we are first reverting the factorization scale shift # and then obtaining the renormalization scale using xir. ren_grid2 = xir * xir * mur2_grid - # NOTE: Currently, getting `nfgrid` from the first Operator is correct but this - # might need to be addressed in the future - # TODO: Find a suitable way to avoid the following duplication. This should ideally - # be part of the operator card. - if not np.array_equal(muf2_grid, mur2_grid): - if check.is_num_fonll(theory_meta["FNS"]): - nfgrid = [int(theory_meta["NfFF"]) for _ in mur2_grid] - else: - q2mur_grid = (xir * xir * mur2_grid).tolist() - atlas = construct_atlas(theory_meta) - nfgrid = [nf_default(q2, atlas) for q2 in q2mur_grid] + if check.is_num_fonll(theory_meta["FNS"]): + nfgrid = [int(theory_meta["NfFF"]) for _ in mur2_grid] else: - nfgrid = [x[1] for x in operators[0].operator_card.mugrid] + q2mur_grid = (xir * xir * mur2_grid).tolist() + atlas = construct_atlas(theory_meta) + nfgrid = [nf_default(q2, atlas) for q2 in q2mur_grid] alphas_values = [ 4.0 * np.pi * sc.a_s(mur2, nf_to=nf) for mur2, nf in zip(ren_grid2, nfgrid) ] From 6d55dd8621b860d8cde446b5f0544c1c981c6c2b Mon Sep 17 00:00:00 2001 From: Felix Hekhorn Date: Tue, 2 Dec 2025 13:21:01 +0200 Subject: [PATCH 6/7] Load test_configs in CLI benchmark --- benchmarks/bench_cli.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/benchmarks/bench_cli.py b/benchmarks/bench_cli.py index b6c35291..5cf195a8 100644 --- a/benchmarks/bench_cli.py +++ b/benchmarks/bench_cli.py @@ -86,7 +86,7 @@ def benchmark_compare_cli(lhapdf_path, test_files, test_pdf): assert "right" in result.output -def benchmark_convolve_cli(test_files, tmp_path): +def benchmark_convolve_cli(test_files, tmp_path, test_configs): theoryid = 400 grid_path = pathlib.Path( test_files / f"data/grids/{theoryid}/HERA_NC_225GEV_EP_SIGMARED.pineappl.lz4" From 0e5850367f956349047d1945f183107231b0d354 Mon Sep 17 00:00:00 2001 From: Tanjona Rabemananjara Date: Thu, 11 Dec 2025 12:56:27 +0100 Subject: [PATCH 7/7] Bump PineAPPL (CLI) version to `v1.3.0` --- poetry.lock | 1764 +++++++++++++++++++++++++++--------------------- pyproject.toml | 4 +- 2 files changed, 997 insertions(+), 771 deletions(-) diff --git a/poetry.lock b/poetry.lock index 7a020cbe..34e91852 100644 --- a/poetry.lock +++ b/poetry.lock @@ -1,4 +1,4 @@ -# This file is automatically @generated by Poetry 1.8.4 and should not be changed by hand. +# This file is automatically @generated by Poetry 1.5.1 and should not be changed by hand. [[package]] name = "alabaster" @@ -24,13 +24,13 @@ files = [ [[package]] name = "astroid" -version = "3.3.10" +version = "3.3.11" description = "An abstract syntax tree for Python with inference support." optional = false python-versions = ">=3.9.0" files = [ - {file = "astroid-3.3.10-py3-none-any.whl", hash = "sha256:104fb9cb9b27ea95e847a94c003be03a9e039334a8ebca5ee27dafaf5c5711eb"}, - {file = "astroid-3.3.10.tar.gz", hash = "sha256:c332157953060c6deb9caa57303ae0d20b0fbdb2e59b4a4f2a6ba49d0a7961ce"}, + {file = "astroid-3.3.11-py3-none-any.whl", hash = "sha256:54c760ae8322ece1abd213057c4b5bba7c49818853fc901ef09719a60dbf9dec"}, + {file = "astroid-3.3.11.tar.gz", hash = "sha256:1e5a5011af2920c7c67a53f65d536d65bfa7116feeaf2354d8b94f29573bb0ce"}, ] [package.dependencies] @@ -38,18 +38,18 @@ typing-extensions = {version = ">=4", markers = "python_version < \"3.11\""} [[package]] name = "asttokens" -version = "3.0.0" +version = "3.0.1" description = "Annotate AST trees with source code positions" optional = false python-versions = ">=3.8" files = [ - {file = "asttokens-3.0.0-py3-none-any.whl", hash = "sha256:e3078351a059199dd5138cb1c706e6430c05eff2ff136af5eb4790f9d28932e2"}, - {file = "asttokens-3.0.0.tar.gz", hash = "sha256:0dcd8baa8d62b0c1d118b399b2ddba3c4aff271d0d7a9e0d4c1681c79035bbc7"}, + {file = "asttokens-3.0.1-py3-none-any.whl", hash = "sha256:15a3ebc0f43c2d0a50eeafea25e19046c68398e487b9f1f5b517f7c0f40f976a"}, + {file = "asttokens-3.0.1.tar.gz", hash = "sha256:71a4ee5de0bde6a31d64f6b13f2293ac190344478f081c3d1bccfcf5eacb0cb7"}, ] [package.extras] -astroid = ["astroid (>=2,<4)"] -test = ["astroid (>=2,<4)", "pytest", "pytest-cov", "pytest-xdist"] +astroid = ["astroid (>=2,<5)"] +test = ["astroid (>=2,<5)", "pytest (<9.0)", "pytest-cov", "pytest-xdist"] [[package]] name = "babel" @@ -67,13 +67,13 @@ dev = ["backports.zoneinfo", "freezegun (>=1.0,<2.0)", "jinja2 (>=3.0)", "pytest [[package]] name = "banana-hep" -version = "0.6.15" +version = "0.6.16" description = "Benchmark QCD physics" optional = false -python-versions = "<3.13,>=3.9.0" +python-versions = "<4.0,>=3.9" files = [ - {file = "banana_hep-0.6.15-py3-none-any.whl", hash = "sha256:556626b060c178903e1993b45f6778e619896fd6345c4c3948744977affc0bbf"}, - {file = "banana_hep-0.6.15.tar.gz", hash = "sha256:96069215af1d56f76d80e428c679d399b30ceb357875d29b583706826e144e45"}, + {file = "banana_hep-0.6.16-py3-none-any.whl", hash = "sha256:cf809dd579f791aa5562a8ea6d274ecbcc5dad0423a253dd3b19d2512ad5b1d5"}, + {file = "banana_hep-0.6.16.tar.gz", hash = "sha256:dc26cb644a43ba297d40d99eb321746388b91b327ebc3ed8a357a3cb669314c9"}, ] [package.dependencies] @@ -81,7 +81,7 @@ appdirs = ">=1.4.4,<2.0.0" click = ">=8.0.3,<9.0.0" ipython = ">=8.1.0,<9.0.0" matplotlib = ">=3.5.1,<4.0.0" -numpy = ">=1.26.0,<2.0.0" +numpy = ">=1.26" pandas = ">=2.1.4,<3.0.0" pendulum = ">=3.0.0,<4.0.0" PyYAML = ">=6.0,<7.0" @@ -90,114 +90,135 @@ SQLAlchemy = ">=1.4.29,<2.0.0" [[package]] name = "certifi" -version = "2025.4.26" +version = "2025.11.12" description = "Python package for providing Mozilla's CA Bundle." optional = false -python-versions = ">=3.6" +python-versions = ">=3.7" files = [ - {file = "certifi-2025.4.26-py3-none-any.whl", hash = "sha256:30350364dfe371162649852c63336a15c70c6510c2ad5015b21c2345311805f3"}, - {file = "certifi-2025.4.26.tar.gz", hash = "sha256:0a816057ea3cdefcef70270d2c515e4506bbc954f417fa5ade2021213bb8f0c6"}, + {file = "certifi-2025.11.12-py3-none-any.whl", hash = "sha256:97de8790030bbd5c2d96b7ec782fc2f7820ef8dba6db909ccf95449f2d062d4b"}, + {file = "certifi-2025.11.12.tar.gz", hash = "sha256:d8ab5478f2ecd78af242878415affce761ca6bc54a22a27e026d7c25357c3316"}, ] [[package]] name = "charset-normalizer" -version = "3.4.2" +version = "3.4.4" description = "The Real First Universal Charset Detector. 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