NNLOJET runner

.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

pyproject.toml

@@ -38,12 +38,13 @@ appdirs = "^1.4.4"
 tomli = "^2.0.1"
 yadism = { extras = ["box"], version = "^0.13.5", optional=true, markers = "python_version < '3.13'" }
 eko = { extras = ["box"], version = "^0.14.2", optional=true, 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']

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

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_<name>), 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")

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()

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)
+
+    ###### <this part will eventually go to -prepare->
+
     run_dataset(runner)
 
 

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
 

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."""

src/pinefarm/external/nnlojet/__init__.py

@@ -0,0 +1,4 @@
+"""NNLOJET interface."""
+
+from .nnpdf_interface import generate_pinecard_from_nnpdf
+from .runner import NNLOJET