small changes to the nnlojet part

Author: scarlehoff

.pre-commit-config.yaml

@@ -40,7 +40,7 @@ repos:
       - id: pydocstyle
         files: ^src/
         additional_dependencies:
-          - toml
+          - tomli
   - repo: https://github.com/pre-commit/pre-commit
     rev: v4.2.0
     hooks:

extras/theories/theory_nnlo.yaml

@@ -1,44 +1,44 @@
 ID: NNLO
 Comments: Example of NNLO theory
-CKM: 0.97428 0.22530 0.003470 0.22520 0.97345 0.041000 0.00862 0.04030 0.999152
+CKM: 0.97367 0.22431 3.82e-3 0.221 0.975 41.1e-3 8.6e-3 41.5e-3 1.010
 DAMP: 0
 EScaleVar: 1
 FNS: FONLL-C
-GF: 1.1663787e-05
+GF: 1.1663788e-5
 HQ: POLE
 IC: 1
 IB: 0
 MP: 0.938
-MW: 80.398
-MZ: 91.1876
+MZ: 91.1880
+MW: 80.3692
 MaxNfAs: 5
 MaxNfPdf: 5
-ModEv: TRN
+ModEv: EXA
+IterEv: 60
 ModSV: expanded
 NfFF: 4
 PTO: 2
 Q0: 1.65
 QED: 0
-Qedref: 1.777
-Qmb: 4.92
-Qmc: 1.51
-Qmt: 172.5
-Qref: 91.2
-SIN2TW: 0.23126
+Qedref: 91.1880
+Qref: 91.1880
+alphas: 0.118
+alphaqed: 0.0075700
+SIN2TW: 0.22348
 SxOrd: LL
 SxRes: 0
 TMC: 1
 XIF: 1.0
 XIR: 1.0
-alphaqed: 0.007496252
-alphas: 0.118
 global_nx: 0
-kbThr: 1.0
+mc: 1.502
+Qmc: 1.502
 kcThr: 1.0
-ktThr: 1.0
-mb: 4.92
-mc: 1.51
+mb: 4.936
+Qmb: 4.936
+kbThr: 1.0
 mt: 172.5
+Qmt: 172.5
 nfref: null
 nf0: null
 fact_to_ren_scale_ratio: 1.0

pyproject.toml

@@ -36,7 +36,7 @@ pineappl = "^0.8.2"
 more-itertools = "^8.10.0"
 appdirs = "^1.4.4"
 tomli = "^2.0.1"
-nnpdf-data = { version = "0.0.3" }
+nnpdf-data = { version = ">=0.0.3" }
 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'" }
 

src/pinefarm/cli/autogen.py

@@ -31,10 +31,12 @@ def runcards(dataset, target, select_obs=None, name=None):
 
     output = configs.configs["paths"]["runcards"] / f"{target}_{name}"
 
-    if target == "NNLOJET":
+    if target.upper() == "NNLOJET":
         output_runcards = generate_pinecard_from_nnpdf(
             dataset, output_path=output, observables=select_obs
         )
+    else:
+        raise ValueError(f"Target {target} not recognized")
 
     rich.print("Pinecards written to: ")
     rich.print("    " + "\n".join(str(i) for i in output_runcards))

src/pinefarm/external/__init__.py

@@ -28,7 +28,7 @@ def decide_external_tool(dsname: str):
     # 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"):
+    if dsname.startswith(("NNLOJET", "nnlojet")):
         from .nnlojet import NNLOJET
 
         return NNLOJET, "blue"

src/pinefarm/external/nnlojet/runcardgen.py

@@ -225,11 +225,12 @@ def _fill_process(process):
     """Fill process options."""
     process_name = process["proc"]
     sqrts = process["sqrts"]
+    jet = process.get("jet", "none[0]")  # Can be None
     """Fill process block given the metadata for the process"""
     return f"""
 PROCESS  {process_name}
   collider = pp  sqrts = {sqrts}
-  jet = none[0]
+  jet = {jet}
   decay_type = 1
 END_PROCESS
 """
@@ -239,6 +240,7 @@ def _fill_run(runname, pdf, mode_line, techcut=1e-7, multi_channel=3):
     """Fil run options."""
     if multi_channel == 0:
         multi_channel = ".false."
+    # Note, scale coefficients need to be set to true to fill the grid
     return f"""
 RUN  {runname.upper()}
   PDF = {pdf}[0]

src/pinefarm/external/nnlojet/runner.py

@@ -24,6 +24,11 @@ def __init__(self, pinecard, theorycard, *args, **kwargs):
         # Save the yaml dictionary from the NNLOJET pinecard
         self._yaml_dict = safe_load(yaml_card.open("r"))
 
+    @staticmethod
+    def install():
+        """NNLOJET should be installed manually."""
+        pass
+
     def preparation(self):
         """Run the preparation step for NNLOJET."""
         # Update the yaml card according to the theory