diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index ed83277..002738a 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -39,7 +39,6 @@ repos: hooks: - id: pydocstyle files: ^src/ - args: ["--add-ignore=D107,D105"] additional_dependencies: - toml - repo: https://github.com/pre-commit/pre-commit diff --git a/poetry.lock b/poetry.lock index a8cdc72..ed39594 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 1.8.5 and should not be changed by hand. 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markers = "python_version < '3.13'" } +nnpdf-data = { version = "*", optional = true} [tool.poetry.extras] dis = ["yadism"] vrap = ["eko"] constraints = ["dis", "vrap"] # integrability + positivity -complete = ["yadism", "eko"] +complete = ["yadism", "eko", "nnpdf-data"] [tool.poetry.group.docs] optional = true @@ -118,4 +119,4 @@ max-line-length = 100 max-args = 10 [tool.pydocstyle] -add_ignore = ['D105', 'D107'] +add_ignore = ['D401','D105', 'D107'] diff --git a/src/pinefarm/cli/__init__.py b/src/pinefarm/cli/__init__.py index a45d93f..9fbfab6 100644 --- a/src/pinefarm/cli/__init__.py +++ b/src/pinefarm/cli/__init__.py @@ -1,4 +1,4 @@ """Provide CLI.""" -from . import configs, info, install, list, merge, run, update +from . import autogen, configs, info, install, list, merge, run, update from ._base import command diff --git a/src/pinefarm/cli/autogen.py b/src/pinefarm/cli/autogen.py new file mode 100644 index 0000000..cd92f77 --- /dev/null +++ b/src/pinefarm/cli/autogen.py @@ -0,0 +1,41 @@ +"""Autogenerate pinecards from NNPDF metadata.""" + +import click +import rich + +from .. import configs +from ..external.nnlojet import generate_pinecard_from_nnpdf +from ._base import command + + +@command.command("autogen") +@click.argument("dataset", nargs=1) +@click.option( + "--target", + help="Target program. Currently only NNLOJET supported", + default="NNLOJET", +) +@click.option( + "--name", help="Name of the pinecard (NNLOJET_), defaults to name=dataset" +) +@click.option( + "--select-obs", + help="Observables to select from the NNPDF available kinematics (max. 2D distributions)", + type=str, + nargs=2, +) +def runcards(dataset, target, select_obs=None, name=None): + """Generate a runcard from an NNPDF dataset.""" + if name is None: + name = dataset.upper() + + output = configs.configs["paths"]["runcards"] / f"{target}_{name}" + + if target == "NNLOJET": + output_runcards = generate_pinecard_from_nnpdf( + dataset, output_path=output, observables=select_obs + ) + + rich.print("Pinecards written to: ") + rich.print(" " + "\n".join(str(i) for i in output_runcards)) + rich.print("metadata.txt might be empty or incomplete, please modifiy it manually") diff --git a/src/pinefarm/cli/install.py b/src/pinefarm/cli/install.py index c54bb7f..3efebc4 100644 --- a/src/pinefarm/cli/install.py +++ b/src/pinefarm/cli/install.py @@ -40,3 +40,10 @@ def lhapdf(): """Install LHAPDF.""" install.update_environ() install.lhapdf() + + +@subcommand.command() +def nnlojet(): + """Install NNLOJET.""" + install.update_environ() + install.nnlojet() diff --git a/src/pinefarm/cli/run.py b/src/pinefarm/cli/run.py index 16e44c9..d16b316 100644 --- a/src/pinefarm/cli/run.py +++ b/src/pinefarm/cli/run.py @@ -1,6 +1,7 @@ """Compute a dataset and compare using a given PDF.""" import pathlib +import sys import time import click @@ -16,7 +17,8 @@ @click.argument("dataset") @click.argument("theory-path", type=click.Path(exists=True)) @click.option("--pdf", default="NNPDF31_nlo_as_0118_luxqed") -def subcommand(dataset, theory_path, pdf): +@click.option("--dry", is_flag=True, help="Don't execute the underlying code") +def subcommand(dataset, theory_path, pdf, dry): """Compute a dataset and compare using a given PDF. Given a DATASET name and a THEORY-PATH, a runcard is executed with the @@ -25,46 +27,58 @@ def subcommand(dataset, theory_path, pdf): The given PDF (default: `NNPDF31_nlo_as_0118_luxqed`) will be used to compare original results with PineAPPL interpolation. + Parameters + ---------- + dataset: str + dataset name + theory: dict + theory dictionary + pdf: str + pdf name """ # read theory card from file with open(theory_path) as f: theory_card = yaml.safe_load(f) - main(dataset, theory_card, pdf) - - -def main(dataset, theory, pdf): - """Compute a dataset and compare using a given PDF. - - Parameters - ---------- - dataset : str - dataset name - theory : dict - theory dictionary - pdf : str - pdf name + # Fix (possible) problems with CKM matrix loading + if isinstance(theory_card.get("CKM"), str): + theory_card["CKM"] = [float(i) for i in theory_card["CKM"].split()] - """ dataset = pathlib.Path(dataset).name timestamp = None if "-" in dataset: + dataset_raw, timestamp = dataset.rsplit("-", 1) try: - dataset, timestamp = dataset.split("-") + # Check whether the timestamp is really an integer + _ = int(timestamp) + dataset = dataset_raw except ValueError: - raise ValueError( - f"'{dataset}' not valid. '-' is only allowed once," - " to separate dataset name from timestamp." - ) + timestamp = None rich.print(dataset) - datainfo = info.label(dataset) + try: + datainfo = info.label(dataset) + except UnboundLocalError as e: + raise UnboundLocalError(f"Runcard {dataset} could not be found") from e rich.print(f"Computing [{datainfo.color}]{dataset}[/]...") - runner = datainfo.external(dataset, theory, pdf, timestamp=timestamp) + runner = datainfo.external(dataset, theory_card, pdf, timestamp=timestamp) install_reqs(runner, pdf) + + # Run the preparation step of the runner (if any) + runner_stop = runner.preparation() + if dry or runner_stop: + rich.print( + f"""Running in dry mode, exiting now. +The preparation step can be found in: + {runner.dest}""" + ) + sys.exit(0) + + ###### + run_dataset(runner) diff --git a/src/pinefarm/external/__init__.py b/src/pinefarm/external/__init__.py index 4b08212..9844e93 100644 --- a/src/pinefarm/external/__init__.py +++ b/src/pinefarm/external/__init__.py @@ -25,6 +25,15 @@ def decide_external_tool(dsname: str): color: color code of the interface """ + # The decisions are usually based on the existence of a `.yaml` file with a specific name + # or a prefix in the pinecard + + if dsname.startswith("NNLOJET"): + from .nnlojet import NNLOJET + + return NNLOJET, "blue" + + # DIS with yadism if (configs["paths"]["runcards"] / dsname / "observable.yaml").exists(): from . import yad # pylint: disable=import-outside-toplevel diff --git a/src/pinefarm/external/interface.py b/src/pinefarm/external/interface.py index a3fa89a..cfd5b07 100644 --- a/src/pinefarm/external/interface.py +++ b/src/pinefarm/external/interface.py @@ -70,6 +70,10 @@ def install(): # Everybody needs LHAPDF unless explicitly skipped _ = install.lhapdf() + def preparation(self): + """Run the preparation method of the runner.""" + return False + @abc.abstractmethod def run(self): """Execute the program.""" diff --git a/src/pinefarm/external/nnlojet/__init__.py b/src/pinefarm/external/nnlojet/__init__.py new file mode 100644 index 0000000..8926432 --- /dev/null +++ b/src/pinefarm/external/nnlojet/__init__.py @@ -0,0 +1,4 @@ +"""NNLOJET interface.""" + +from .nnpdf_interface import generate_pinecard_from_nnpdf +from .runner import NNLOJET diff --git a/src/pinefarm/external/nnlojet/nnpdf_interface.py b/src/pinefarm/external/nnlojet/nnpdf_interface.py new file mode 100755 index 0000000..ca7efb4 --- /dev/null +++ b/src/pinefarm/external/nnlojet/nnpdf_interface.py @@ -0,0 +1,382 @@ +""" +Read up all important information form an NNPDF dataset. + +The selector generation is very flaky and is (mostly) up to the user for now. + +Some examples: + +```yaml + - histogram with selectors + histograms: + name: test + observable: ptz + bins: [10, 20, 40] + extra_selectors: + - "reject abs_ylp min = 1.37 max = 1.52" + - "reject abs_ylm min = 1.37 max = 1.52" +``` +""" + +from copy import deepcopy + +import numpy as np +from nnpdf_data import load_dataset_metadata +from ruamel.yaml import YAML, CommentedMap + +# set-up the yaml reader +yaml = YAML(pure=True) +yaml.default_flow_style = False +yaml.indent(sequence=4, offset=2, mapping=4) + +HISTOGRAM_VARIABLES = {"y", "etay", "eta", "pT", "pT2", "M2"} + + +def _legacy_nnpdf_translation(df, proc_type): + """When reading variables with k1/k2/k3 tries to figure out to which variables it corresponds.""" + from validphys.filters import KIN_LABEL # pylint: disable=E0401 + + new_vars = list(KIN_LABEL[proc_type]) + # Reorganize a bit the names to avoid extra problems + if "M_ll" in new_vars: + new_vars[new_vars.index("M_ll2")] = "M2" + df.columns = df.columns.set_levels(new_vars, level=0) + + +def _df_to_bins(dataframe): + """NNPDF kin dataframe to list of bins. + + Convert a dataframe containing min/mid/max for some kin variable + into a list of bins as NNLOJET understands it. + """ + # If the NNPDF dataset has been implemented recently + # we will have min/max + # otherwise we have only mid and have to trick this + if np.allclose(dataframe["min"], dataframe["max"]): + # Fake min/max and hope for the best + mid_points = dataframe["mid"].values + shifts = np.diff(mid_points) / 2.0 + bins = mid_points[:-1] + shifts + # Assume that the shift in the first and last points + # is the same as the second and next-to-last + fpo = [mid_points[0] - shifts[0]] + lpo = [mid_points[-1] + shifts[-1]] + return np.concatenate([fpo, bins, lpo]) + + # Couple maxs and mins, assuming no overlap between bins... + all_bins = np.concatenate([dataframe["min"], dataframe["max"]]) + return np.unique(all_bins) + + +def _1d_histogram(kin_df, hist_var): + """Prepare the histogram for a 1d distribution.""" + histo_bins = _df_to_bins(kin_df[hist_var]) + + if hist_var == "pT2": + histo_bins = np.sqrt(histo_bins) + hist_var = "pT" + + if hist_var == "M2": + histo_bins = np.sqrt(histo_bins) + hist_var = "M" + + # Don't do more than 3 decimals + histo_bins = np.round(histo_bins, decimals=3).tolist() + + return {"name": hist_var, "observable": hist_var, "bins": histo_bins} + + +def _nnlojet_observable(observable, process): + """Try to automatically understand the NNLOJET observables given the NNPDF process and obs.""" + observable = observable.lower() + if observable in ("eta", "y", "etay"): + if process.upper().startswith("Z"): + return "yz" + if process.upper().startswith("WP") and not process.upper().endswith("J"): + return "ylp" + if process.upper().startswith("WM") and not process.upper().endswith("J"): + return "ylm" + if observable == "pt": + if process.upper().startswith("Z"): + return "ptz" + if process.upper().startswith("W"): + return "ptw" + if observable == "m" and process.upper().startswith("Z"): + return "mll" + if observable == "m2": + print("\033[91m [WARNING] \033[0m Changed M2 to M in the selectors") + return "mll" + + raise ValueError(f"Observable {observable} not recognized for process {process}") + + +def _generate_metadata(arxiv, hepdata, nnpdf_name, output): + """Generate a minimal ``metadata.txt`` file.""" + empty_fields = [ + "description", + "x1_label", + "x1_label_tex", + "x2_label", + "x2_label_tex", + "x2_unit", + "y_label", + "y_label_tex", + "y_unit", + ] + ret = f"""arxiv={arxiv} +hepdata={hepdata} +nnpdf_id={nnpdf_name} +""" + ret += "=\n".join(empty_fields) + "=" + output.write_text(ret) + + +def select_selectors(experiment, process): + """A selection of default selectors to be selected depending on the selected experiment. + + The experiment defines the cuts to be applied to each variable. + The process defines the name of the variables in NNLOJET + """ + cuts = { + "rapidity": (None, None), + "pt": (20.0, None), + "inv_mass": (None, None), + "mt": (None, None), + } + + variables = {"rapidity": [], "pt": [], "inv_mass": [], "mt": []} + + if experiment == "LHCB": + cuts["rapidity"] = (2.0, 4.5) + cuts["inv_mass"] = (60.0, 120.0) + elif experiment == "ATLAS": + cuts["rapidity"] = (0.0, 2.5) + cuts["inv_mass"] = (66.0, 116.0) + cuts["pt"] = (25.0, None) + cuts["mt"] = (50.0, None) + elif experiment == "CMS": + cuts["rapidity"] = (0.0, 2.4) + cuts["inv_mass"] = (60.0, 120.0) + cuts["pt"] = (35.0, None) + else: + raise NotImplementedError(f"Selectors for {experiment=} not implemented") + + if process.startswith("Z"): + variables["rapidity"] += ["yz", "abs_ylp", "abs_ylm"] + variables["inv_mass"].append("mll") + variables["pt"].append("ptl2") + elif process.startswith("W"): + w_sign = process[1].lower() + variables["rapidity"].append(f"abs_yl{w_sign}") + variables["pt"].append(f"ptl{w_sign}") + variables["mt"].append("mt") + + selector_options = [] + + for cut_type, (cut_min, cut_max) in cuts.items(): + + if cut_min is None and cut_max is None: + continue + + for variable in variables[cut_type]: + tmp = {"observable": variable} + if cut_min is not None: + tmp["min"] = cut_min + if cut_max is not None: + tmp["max"] = cut_max + + selector_options.append(tmp) + + return selector_options + + +def _generate_nnlojet_pinecard(runname, process, energy, experiment, histograms): + """Generate a pinecard for NNLOJET runs from an NNPDF dataset.""" + selectors = select_selectors(experiment, process) + histograms = deepcopy(histograms) + + if process.startswith("Z0"): + process = process.replace("Z0", "Z") + + # Digest the histogram variable + for histo in histograms: + ob = histo["observable"] + histo["observable"] = _nnlojet_observable(ob, process) + + ret = { + "runname": runname, + "process": {"proc": process, "sqrts": energy}, + "pdf": "NNPDF40_nnlo_as_01180", + "techcut": 1e-7, + "histograms": histograms, + "multi_channel": 0, + "channels": { + "LO": "LO", + "R": "R", + "V": "V", + "RR": "RR", + "RV": "RV", + "VV": "VV", + }, + "parameters": { + "MASS[Z]": 91.1876, + "MASS[W]": 80.379, + "WIDTH[Z]": 2.4952, + "WIDTH[W]": 2.085, + "SCHEME[alpha]": "Gmu", + "GF": "1.1663787d-5", + }, + "selectors": selectors, + } + return ret + + +def generate_pinecard_from_nnpdf( + nnpdf_dataset, scale="etz", output_path=".", observables=None +): + """Generate a NNLOJET pinecard from an NNPDF dataset. + + Takes as input an NNPDF dataset, which will be loaded with the + nnpdf_data package. + + If a list of observables is provided, only those in the list will be loaded + from the dataframe. + """ + metadata = load_dataset_metadata(nnpdf_dataset) + kin_df = metadata.load_kinematics(drop_minmax=False) + + if observables is not None: + # If a list of observables is provided, select them from the dataframe + # list in case they enter as a tuple + kin_df = kin_df.loc[:, list(observables)] + + # Change some variable names: + kin_df.rename(columns={"m_ll2": "M2"}, inplace=True) + output_runcards = [] + + # Put all the information we might need in nicely organized variables + process = metadata.process + energy = metadata.cm_energy + experiment = metadata.experiment + + # Now use the kinematic information to generate histograms + kin_variables = kin_df.columns.get_level_values(0) + + # Is it legacy? + if "k1" in kin_variables: + # Time to translate! + _legacy_nnpdf_translation(kin_df, metadata.process_type) + kin_variables = kin_df.columns.get_level_values(0) + + hist_vars = list(HISTOGRAM_VARIABLES.intersection(kin_variables)) + + # Now preprocess the variables according to the process type + + # Drell Yan + if process in ("WPWM", "Z0", "DY"): + # Special case: is a histogram binned by invariant mass? + if "M2" in hist_vars: + if len(kin_df["M2"]["mid"].unique()) == 1: + hist_vars.remove("M2") + + # Create the histogram depending on whether this is a 1D or 2D distribution (or total) + histograms = None + + if len(hist_vars) == 1: + histograms = [_1d_histogram(kin_df, hist_vars[0])] + elif len(hist_vars) == 2: + + # Let's see whether we know how to do this 2D distribution + if "M2" in hist_vars: + svar = "M2" + elif "y" in hist_vars: + svar = "y" + else: + raise NotImplementedError(f"Don't know how to do this 2D: {hist_vars}") + hist_vars.remove(svar) + + # 2D distributions can only be done when min-max is available, otherwise it's a mess + bounds_df = kin_df[svar] + if svar.endswith("2"): + bounds_df[["min", "max"]] = bounds_df[["min", "max"]].apply( + lambda x: np.sqrt(x) + ) + bounds = bounds_df.drop_duplicates().values.tolist() + + nnlojet_var = _nnlojet_observable(svar, process) + another_v = hist_vars[0] + histograms = [] + + for i, (bin_min, mid_val, bin_max) in enumerate(bounds): + idx = kin_df[svar]["mid"] == mid_val + tmp = _1d_histogram(kin_df[idx], another_v) + tmp["name"] = f"{another_v}_bin_{i}" + tmp["extra_selectors"] = [ + { + "observable": f"{nnlojet_var}", + "min": bin_min, + "max": bin_max, + } + ] + histograms.append(tmp) + elif len(hist_vars) == 0 and metadata.process_type == "INC": + # inclusive cross section, just create a big enough histogram + histograms = [{"observable": "y", "bins": [-10.0, 10.0], "name": "tot"}] + else: + raise NotImplementedError( + "3D distributions not implemented or process not recognized" + ) + + is_normalized = metadata.theory.operation.lower() == "ratio" + if is_normalized: + print( + "\033[91m [WARNING] \033[0m This dataset is probably normalized, you might be missing the runcard for the fiducial cross section" + ) + + # Prepare the metadata for the data + hepdata = metadata._parent.hepdata.url + arxiv = metadata._parent.arXiv.url.split("/")[-1] + tables = metadata.tables + if not hepdata.startswith("https:"): + # Try to autoguess the doi + hepdata = f"https://doi.org/{hepdata}" + + data_comment = f"arXiv number: {arxiv}, hepdata entry: {hepdata} (tables: {tables})" + print( + f"\033[91m [WARNING] \033[0m Remember to update he selection cuts in the runcard, see {hepdata}" + ) + + # For some NNPDF datasets, different processes/energies might be grouped together + processes = [process] + if process.startswith("WPWM"): + processes = [process.replace("WP", ""), process.replace("WM", "")] + if process == "DY": + processes = ["Z0", "WP", "WM"] + + parent_folder = output_path.parent + base_name = output_path.name + + output_runcards = [] + for proc in processes: + runname = nnpdf_dataset.replace(process, proc) + + ret = _generate_nnlojet_pinecard(runname, proc, energy, experiment, histograms) + ret["scales"] = {"mur": scale, "muf": scale} + + # Beautify before dumping + data = CommentedMap(ret) + for key in ret: + data.yaml_set_comment_before_after_key(key, before="\n") + data.yaml_set_start_comment(data_comment) + + opath = parent_folder / base_name.replace(process, proc) + opath.mkdir(exist_ok=True, parents=True) + + runcard_name = (opath / runname.upper()).with_suffix(".yaml") + yaml.dump(data, runcard_name) + output_runcards.append(runcard_name) + + _generate_metadata( + arxiv, hepdata, nnpdf_dataset, runcard_name.with_name("metadata.txt") + ) + + return output_runcards diff --git a/src/pinefarm/external/nnlojet/runcardgen.py b/src/pinefarm/external/nnlojet/runcardgen.py new file mode 100755 index 0000000..2dbb777 --- /dev/null +++ b/src/pinefarm/external/nnlojet/runcardgen.py @@ -0,0 +1,441 @@ +"""Autogeneration of NNLOJET runcards. + +Module for the autogeneration of NNLOJET runcards using as input +yaml files containing the NNPDF dataset information. +""" + +import logging +from collections import defaultdict +from dataclasses import dataclass, field +from functools import cached_property +from pathlib import Path + +import numpy as np +from yaml import safe_load + +logger = logging.getLogger(__name__) + +HEADER = r""" +!###############################################! +!## ##! +!## _ ___ ____ ____ ____________ ##! +!## / |/ / |/ / / / __ \__ / / __/_ __/ ##! +!## / / / /__/ /_/ / // / _/ / / ##! +!## /_/|_/_/|_/____/\____/\___/___/ /_/ ##! +!## ##! +!## Runcard for NNPDF datasets ##! +!###############################################! +""" +INDT = " " # indentation + +# Constants for the combine.ini config file +COMBINE_OUTPUT_FOLDER = "combined" +COMBINE_HEADER = f""" +[Paths] +raw_dir = . +out_dir = {COMBINE_OUTPUT_FOLDER} + +""" +COMBINE_FOOTER = """ + +[Options] +recursive = True +weights = True +trim = (3.5, 0.01) +k-scan = (None, 3, 0.7) +""" + + +@dataclass +class Histogram: + """Holds histogram information.""" + + name: str + observable: str + bins: list + extra_selectors: list = None + pineappl: bool = True + + def to_str(self): # noqa: D102 + hstr = f"{INDT}{self.observable} > {self.name} {self.bins}" + if self.pineappl: + hstr += " grid=pine" + + if self.extra_selectors is not None: + selectors = [Selector(**i) for i in self.extra_selectors] + hstr += f"\n{INDT}HISTOGRAM_SELECTORS\n{INDT*2}" + hstr += f"\n{INDT*2}".join(i.to_str() for i in selectors) + hstr += f"\n{INDT}END_HISTOGRAM_SELECTORS\n" + return hstr + + +@dataclass +class Selector: + """Holds selector information.""" + + observable: str + min: float = None + max: float = None + + def to_str(self): # noqa: D102 + ret = f"{INDT}select {self.observable} " + if self.min is not None: + ret += f" min = {self.min}" + if self.max is not None: + ret += f" max = {self.max}" + return ret + + +@dataclass +class YamlLOJET: + """Definition of the yaml runcard for sending NNLOJET jobs.""" + + runname: str + process: dict + channels: dict + scales: dict = field(default_factory=dict) + parameters: dict = field(default_factory=dict) + selectors: list = None + histograms: list = None + multi_channel: int = 3 + techcut: float = 1e-7 + pdf: str = "NNPDF40_nnlo_as_01180" + + def __post_init__(self): + self.histograms = [Histogram(**i) for i in self.histograms] + self.selectors = [Selector(**i) for i in self.selectors] + + @cached_property + def channel_names_list(self): + """List of channels.""" + return list(self.channels.keys()) + + def active_channels(self, active_channels=None): + """Digest active channels. + + Loop over all channels in the yamlcard and check whether + it correspond to one of the channels in the list `active_channels` + e.g., if active_channels = [RR, RV], all RRa_n, RRb_n, and RV_n will be accepted + If active_channels is None, return the whole thing for [LO, R, V, RR, RV, VV] + + Returns a dict {channel_name: list_of_channels} + """ + if active_channels is None: + return self.active_channels(["LO", "R", "V", "RR", "RV", "VV"]) + + active_channels = list(active_channels) + + if "NLO" in active_channels: + active_channels.append("R") + active_channels.append("V") + + if "NNLO" in active_channels: + active_channels.append("RR") + active_channels.append("RV") + active_channels.append("VV") + + ret = defaultdict(list) + + # Run over all channels + for channel in self.channel_names_list: + for level in active_channels: + level_prefix = f"{level}_" + if level == "RR": + level_prefix = ("RR_", "RRa_", "RRb_") + + if channel.startswith(level_prefix) or channel == level: + ret[level].append(channel) + + return ret + + def get_channel_list(self, channel): + """Generate list of channels.""" + return self.channels[channel] + + @property + def process_name(self): + """Get process name.""" + return self.process["proc"] + + def selector_definitions(self): + """Get definition of selectors.""" + return "\n".join(i.to_str() for i in self.selectors) + + def histogram_definitions(self): + """Return a string with the definition of all the histograms. + + In general the histogram is defined in the yaml file as a dict with: + - name + observable + bins + extra_selectors: dict + """ + return "\n".join(i.to_str() for i in self.histograms) + + +def parse_input_yaml(yaml_path): + """Parse the yaml runcard into a YamlLOJET object.""" + if not yaml_path.exists(): + raise FileNotFoundError(f"Yaml file {yaml_path} not found") + yaml_dict = safe_load(yaml_path.open("r")) + return YamlLOJET(**yaml_dict) + + +def _fill_process(process): + """Fill process options.""" + process_name = process["proc"] + sqrts = process["sqrts"] + """Fill process block given the metadata for the process""" + return f""" +PROCESS {process_name} + collider = pp sqrts = {sqrts} + jet = none[0] + decay_type = 1 +END_PROCESS +""" + + +def _fill_run(runname, pdf, mode_line, techcut=1e-7, multi_channel=3): + """Fil run options.""" + if multi_channel == 0: + multi_channel = ".false." + return f""" +RUN {runname.upper()} + PDF = {pdf}[0] + tcut = {techcut} + scale_coefficients = .true. + multi_channel = {multi_channel} + iseed = 1 + {mode_line} +END_RUN +""" + + +def _fill_parameters(theory_parameters): + """Fill physical parameters.""" + parameters = { + "MASS[Z]": 91.1876, + "WIDTH[Z]": 2.4952, + "MASS[W]": 80.379, + "WIDTH[W]": 2.085, + "SCHEME[alpha]": "Gmu", + "GF": 1.1663787e-5, + } + + parameters.update(theory_parameters) + ptext = "\n".join(f"{i} = {j}" for i, j in parameters.items()) + + return f""" +PARAMETERS +{ptext} +END_PARAMETERS +""" + + +def _fill_selectors(metadata): + """Fill selectors.""" + return f""" +SELECTORS +{metadata.selector_definitions()} +END_SELECTORS +""" + + +def _fill_histograms(metadata, empty=True): + """Create the histograms from the declarative definition.""" + if empty: + histogram_content = "" + else: + histogram_content = metadata.histogram_definitions() + + return f""" +HISTOGRAMS +{histogram_content} +END_HISTOGRAMS +""" + + +def _fill_scales(scales): + """Fill in scales.""" + mur = scales.get("mur", 91.2) + muf = scales.get("muf", 91.2) + + return f""" +SCALES +{INDT}mur = {mur} muf = {muf} +END_SCALES +""" + + +def region_str_generator(channel_name): + """Given the name of the channel, set up the region.""" + order = channel_name.split("_", 1)[0] + if order.endswith("a"): + return "region = a" + elif order.endswith("b"): + return "region = b" + return "" + + +def _fill_channels(channels, region_str=""): + """Fill channels.""" + return f""" +CHANNELS {region_str} + {channels} +END_CHANNELS +""" + + +def generate_runcard( + metadata: YamlLOJET, + channel: str, + runcard_name: str = "runcard", + is_warmup: bool = False, + events: int = int(1e4), + iterations: int = 1, + output=Path("."), +): + """Generate a NNLOJET runcard given the metadata of the run in the folder defined by che channel name. + + The output path of the runcard will be ./channel/runcard_name_{warmup/production}.run. + """ + channel_dir = output / channel + channel_dir.mkdir(exist_ok=True) + + region_str = region_str_generator(channel) + + if is_warmup: + mode_str = "warmup" + else: + mode_str = "production" + if iterations > 1: + raise ValueError("Only 1 iterations allowed in production") + mode_line = f"{mode_str} = {events}[{iterations}]" + channels = metadata.get_channel_list(channel) + + pdf = ( + metadata.pdf + ) # we can even check whether this needs to be installed before running! + + runcard_path = channel_dir / f"{runcard_name}_{mode_str}.run" + runcard_text = HEADER + + runcard_text += _fill_process(metadata.process) + runcard_text += _fill_run( + metadata.runname, + pdf, + mode_line, + techcut=metadata.techcut, + multi_channel=metadata.multi_channel, + ) + runcard_text += _fill_parameters(metadata.parameters) + runcard_text += _fill_selectors(metadata) + runcard_text += _fill_histograms(metadata, empty=is_warmup) + runcard_text += _fill_scales(metadata.scales) + runcard_text += _fill_channels(channels, region_str=region_str) + runcard_path.write_text(runcard_text) + + logger.info(f"Runcard written to {runcard_path}") + + return runcard_path + + +## combine.ini generation + + +def _channel_selection(metadata, channels=None): + """Generate a selection of channels compatible with the metadata. + + Run over all possible channels in the metadata and add them + to the combine script in the right combination whenever they are + selected in the arguments of this function. + + Parameters + ---------- + metadata: YamlLOJET + information from th e pinecard + channels: list(str) + list of channels to be run + """ + all_levels = {i.split("_")[0] for i in metadata.channels.keys()} + + lo = ["LO"] + nlo = ["R", "V"] + nnlo = ["RR", "RV", "VV", "RRa", "RRb"] + + def is_allowed(l): + """Return false if the given level is not allowed.""" + if channels is None: + return True + if l in channels: + return True + if l in ("RRa", "RRb") and ("RR" in channels): + return True + return False + + ret = {} + # Now go over every level and include it in the combine.ini + # whenever it is both in channels and in the metadata + if add_lo := all_levels.intersection(lo): + if all(is_allowed(i) for i in add_lo): + ret["LO"] = list(add_lo) + if add_nlo := all_levels.intersection(nlo): + tmp = list(add_nlo.union(add_lo)) + if all(is_allowed(i) for i in tmp): + ret["NLO"] = tmp + if add_nnlo := all_levels.intersection(nnlo): + tmp = list(add_nnlo.union(add_nlo).union(add_lo)) + if all(is_allowed(i) for i in tmp): + ret["NNLO"] = tmp + # Add a exclusive NNLO level for debugging + if all(is_allowed(i) for i in add_nnlo): + ret["exclusive_nnlo"] = list(add_nnlo) + + if not ret: + raise ValueError(f"No channel {channels} found in the pinecard") + + return ret + + +def _generate_channel_merging(metadata, combinations): + """Define how subchannels are to be merged. + + Looking at metadata and the list of allowed channels, prepare + [Parts], [Merge] and [Final]. + """ + allowed_levels = set(np.concatenate(list(combinations.values()))) + merge_dict = metadata.active_channels(active_channels=allowed_levels) + + parts_list = [] + merge_list = [] + for level_name, channel_list in merge_dict.items(): + parts_list.append("\n".join(channel_list)) + merge_list.append(f"{level_name} = " + " + ".join(channel_list)) + + ret = "\n[Parts]\n" + "\n".join(parts_list) + ret += "\n\n[Merge]\n" + "\n".join(merge_list) + ret += "\n\n[Final]" + + for order, levels in combinations.items(): + if all(l in merge_dict for l in levels): + ret += f"\n{order} = " + " + ".join(levels) + + return ret + + +def generate_combine_ini(metadata, channels, output=Path(".")): + """Generate a NNLOJET combine config file.""" + # Initialize the file + cini_text = COMBINE_HEADER + + # Define the list of observables + obs_list = "\n".join([i.name for i in metadata.histograms]) + cini_text += f"\n[Observables]\ncross\n{obs_list}\n" + + # Define which (nnlojet) channels are neded and how they are merged + combinations = _channel_selection(metadata, channels) + cini_text += _generate_channel_merging(metadata, combinations) + + cini_text += COMBINE_FOOTER + + (output / "combine.ini").write_text(cini_text) diff --git a/src/pinefarm/external/nnlojet/runner.py b/src/pinefarm/external/nnlojet/runner.py new file mode 100644 index 0000000..f969b0e --- /dev/null +++ b/src/pinefarm/external/nnlojet/runner.py @@ -0,0 +1,94 @@ +"""Provides a runner for NNLOJET.""" + +from yaml import safe_load + +from .. import interface +from .runcardgen import YamlLOJET, generate_combine_ini, generate_runcard + +# Reasonable default for warmup and production for DY +_DEFAULTS = { + "warmup": {"iterations": 10, "events": int(5e6)}, + "production": {"iterations": 1, "events": int(1e6)}, +} + + +class NNLOJET(interface.External): + """Interface provider for NNLOJET.""" + + def __init__(self, pinecard, theorycard, *args, **kwargs): + super().__init__(pinecard, theorycard, *args, **kwargs) + + pinecard = pinecard.replace("NNLOJET_", "") + yaml_card = (self.source / pinecard).with_suffix(".yaml") + # Save the yaml dictionary from the NNLOJET pinecard + self._yaml_dict = safe_load(yaml_card.open("r")) + + def preparation(self): + """Run the preparation step for NNLOJET.""" + # Update the yaml card according to the theory + params = self._yaml_dict["parameters"] + + if self.theory.get("CKM", [1.0])[0] != 1.0: + params["CKM"] = "FULL" + + translate = [("MZ", "MASS[Z]"), ("MW", "MASS[W]")] + for nnpdf_key, nnlojet_key in translate: + if nnpdf_key in self.theory: + params[nnlojet_key] = self.theory[nnpdf_key] + + # Autodiscover scale if possible + if (scdict := self._yaml_dict.get("scales")) is not None: + for scale, key in scdict.items(): + if isinstance(key, str) and key.upper() in self.theory: + scdict[scale] = self.theory[key.upper()] + + # Select channels according to PTO + order = self.theory.get("PTO") + channels = ["LO"] + if order > 0: + channels += ["R", "V"] + if order > 1: + channels += ["RR", "RV", "VV"] + if order > 2: + raise NotImplementedError("N3LO still not working") + + pinedata = YamlLOJET(**self._yaml_dict) + # Given the allowed channel, generate the possible channel choices + active_channels = pinedata.active_channels(channels) + + # Generate both the production and warmup runcards with reasonable defaults + self.dest.mkdir(exist_ok=True, parents=True) + for level_name, level_channels in active_channels.items(): + print(f"Preparing {len(level_channels)} runcards for {level_name}") + for mode in ["warmup", "production"]: + nev = _DEFAULTS[mode]["events"] + nit = _DEFAULTS[mode]["iterations"] + for channel in level_channels: + is_warmup = mode == "warmup" + _ = generate_runcard( + pinedata, + channel, + output=self.dest, + is_warmup=is_warmup, + events=nev, + iterations=nit, + ) + + generate_combine_ini(pinedata, active_channels, self.dest) + return True + + def run(self): + """Run the corresponding NNLOJET runcard.""" + raise NotImplementedError("NNLOJET running not implemented outside of dry mode") + + def collect_versions(self) -> dict: + """NNLOJET version.""" + return {"nnlojet_version": "secret"} + + def generate_pineappl(self): + """Not implemented.""" + print("Not yet") + + def results(self): + """Not implemented.""" + print("Good luck") diff --git a/src/pinefarm/install.py b/src/pinefarm/install.py index edcf890..4b9e3c0 100644 --- a/src/pinefarm/install.py +++ b/src/pinefarm/install.py @@ -363,3 +363,9 @@ def prepend(name, value): prepend("PATH", configs.configs["paths"]["bin"]) prepend("LD_LIBRARY_PATH", lib) prepend("PKG_CONFIG_PATH", lib / "pkgconfig") + + +def nnlojet(): + """Installation of NNLOJET.""" + print("Installation not supported yet") + return True diff --git a/src/pinefarm/tools.py b/src/pinefarm/tools.py index 3e2503f..0ed9752 100644 --- a/src/pinefarm/tools.py +++ b/src/pinefarm/tools.py @@ -32,7 +32,7 @@ def create_output_folder(name, theoryid): + "-" + name + "-" - + datetime.datetime.now().strftime("-%Y%m%d%H%M%S") + + datetime.datetime.now().strftime("%Y%m%d%H%M%S") ) target.mkdir(exist_ok=True, parents=True) return target