Remove need for _template.yaml

benchmarks/bench_cli.py

@@ -50,9 +50,6 @@ def benchmark_opcard_cli(tmp_path, test_files):
     grid_path = pathlib.Path(
         test_files / "data/grids/400/HERA_NC_225GEV_EP_SIGMARED.pineappl.lz4"
     )
-    default_card_path = pathlib.Path(
-        test_files / "data/operator_cards/400/_template.yaml"
-    )
     thcard_path = pathlib.Path(test_files / "data" / "theory_cards" / "400.yaml")
     target_path = pathlib.Path(tmp_path / "test_ope_card.yaml")
     runner = CliRunner()
@@ -61,7 +58,6 @@ def benchmark_opcard_cli(tmp_path, test_files):
         [
             "opcard",
             str(grid_path),
-            str(default_card_path),
             str(thcard_path),
             str(target_path),
         ],

benchmarks/bench_evolve.py

@@ -25,7 +25,6 @@ def benchmark_write_operator_card_from_file_num_fonll(
         / "400"
         / "HERA_NC_225GEV_EP_SIGMARED.pineappl.lz4"
     )
-    default_path = test_files / "data" / "operator_cards" / "400" / "_template.yaml"
     num_opcard = 7 if is_mixed else 5
     targets_path_list = [
         tmp_path / f"test_opcard_{num}.yaml" for num in range(num_opcard)
@@ -34,7 +33,7 @@ def benchmark_write_operator_card_from_file_num_fonll(
         with open(tcard_path, encoding="utf-8") as f:
             tcard = yaml.safe_load(f)
         _x_grid, _q2_grid = pineko.evolve.write_operator_card_from_file(
-            pine_path, default_path, target_path, tcard
+            pine_path, target_path, tcard
         )
     # Check if the opcards are ok
     for opcard_path, cfg in zip(
@@ -49,11 +48,10 @@ def benchmark_write_operator_card_from_file_num_fonll(
 
 def benchmark_write_operator_card_from_file(tmp_path, test_files, test_configs):
     pine_path = test_files / "data/grids/400/HERA_NC_225GEV_EP_SIGMARED.pineappl.lz4"
-    default_path = test_files / "data/operator_cards/400/_template.yaml"
     target_path = pathlib.Path(tmp_path / "test_operator.yaml")
     tcard = pineko.theory_card.load(400)
     x_grid, _q2_grid = pineko.evolve.write_operator_card_from_file(
-        pine_path, default_path, target_path, tcard
+        pine_path, target_path, tcard
     )
 
     # Load the operator card
@@ -64,22 +62,19 @@ def benchmark_write_operator_card_from_file(tmp_path, test_files, test_configs):
     wrong_pine_path = test_files / "data/grids/208/HERA_CC_318GEV_EM_wrong.pineappl.lz4"
     with pytest.raises(FileNotFoundError):
         _ = pineko.evolve.write_operator_card_from_file(
-            wrong_pine_path, default_path, target_path, 1.0
+            wrong_pine_path, target_path, 1.0
         )
 
 
 def benchmark_dglap(tmp_path, test_files, test_configs):
     pine_path = test_files / "data/grids/400/HERA_NC_225GEV_EP_SIGMARED.pineappl.lz4"
-    default_path = test_files / "data/operator_cards/400/_template.yaml"
     target_path = pathlib.Path(tmp_path / "test_operator.yaml")
 
     theory_id = 400
     tcard = pineko.theory_card.load(theory_id)
     # In order to check if the operator card is enough for eko, let's compute the eko
 
-    pineko.evolve.write_operator_card_from_file(
-        pine_path, default_path, target_path, tcard
-    )
+    pineko.evolve.write_operator_card_from_file(pine_path, target_path, tcard)
 
     # Load the opcard
     myopcard = yaml.safe_load(target_path.read_text(encoding="utf-8"))

pineko.ci.toml

@@ -4,7 +4,6 @@ nnpdf=true
 [paths]
 # inputs
 grids = "./theory_productions/data/grids"
-operator_card_template_name = "_template.ci.yaml"
 # outputs
 operator_cards = "./theory_productions/operator_cards"
 ekos = "./theory_productions/data/ekos"

pineko.debug.toml

@@ -3,7 +3,6 @@
 ymldb = "data/ymldb"
 grids = "data/grids"
 theory_cards = "data/theory_cards"
-operator_card_template_name = "_template.yaml"
 # outputs
 operator_cards = "data/operator_cards"
 ekos = "data/ekos"

src/pineko/cli/opcard.py

@@ -2,6 +2,7 @@
 
 import pathlib
 
+import rich
 import rich_click as click
 import yaml
 
@@ -11,16 +12,23 @@
 
 @command.command("opcard")
 @click.argument("pineappl-path", metavar="PINEAPPL", type=click.Path(exists=True))
-@click.argument(
-    "default-card-path", metavar="DEFAULT_CARD", type=click.Path(exists=True)
-)
 @click.argument("thcard-path", metavar="THCARD", type=click.Path())
 @click.argument("opcard-path", metavar="OPCARD", type=click.Path())
-def subcommand(pineappl_path, default_card_path, thcard_path, opcard_path):
+@click.option("--ipd", default=4, show_default=True, help="interpolation polynomial degree")
+@click.option("--iil", default=True, show_default=True, help="interpolation is log")
+@click.option("--int-cores", default=1, show_default=True, help="number of integration cores")
+def subcommand(
+    pineappl_path, 
+    thcard_path, 
+    opcard_path,
+    ipd,
+    iil,
+    int_cores,
+):
     """Write EKO card for PineAPPL grid.
 
-    Writes a copy of the default card from DEFAULT_CARD to OPCARD
-    with the adjusted x grid and Q2 grid read from PINEAPPL.
+    Writes an operator card OPCARD from the information in 
+    opcard_template.py and the theory card.
 
     A THCARD is required, since some of the EKO's OPCARD information come from
     the NNPDF theory entries (e.g. :math:`Q0`).
@@ -29,5 +37,5 @@ def subcommand(pineappl_path, default_card_path, thcard_path, opcard_path):
     tcard = yaml.safe_load(pathlib.Path(thcard_path).read_text(encoding="utf-8"))
     opcard_path = pathlib.Path(opcard_path)
     _x_grid, q2_grid = evolve.write_operator_card_from_file(
-        pineappl_path, default_card_path, opcard_path, tcard
+        pineappl_path, opcard_path, tcard, ipd, iil, int_cores
     )

src/pineko/cli/theory_.py

@@ -29,9 +29,12 @@ def inherit_grids(source_theory_id, target_theory_id, datasets, overwrite):
 @click.argument("theory_id", type=click.INT)
 @click.argument("datasets", type=click.STRING, nargs=-1)
 @click.option("--overwrite", is_flag=True, help="Allow files to be overwritten")
-def opcards(theory_id, datasets, overwrite):
+@click.option("--ipd", default=4, show_default=True, help="interpolation polynomial degree")
+@click.option("--iil", default=True, show_default=True, help="interpolation is log")
+@click.option("--int-cores", default=1, show_default=True, help="number of integration cores")
+def opcards(theory_id, datasets, overwrite, ipd, iil, int_cores):
     """Write EKO card for all FK tables in all datasets."""
-    theory.TheoryBuilder(theory_id, datasets, overwrite=overwrite).opcards()
+    theory.TheoryBuilder(theory_id, datasets, overwrite=overwrite).opcards(ipd, iil, int_cores)
 
 
 @theory_.command()

src/pineko/configs.py

@@ -16,13 +16,12 @@
 NEEDED_KEYS = [
     "operator_cards",
     "grids",
-    "operator_card_template_name",
     THEORY_PATH_KEY,
     "fktables",
     "ekos",
 ]
+NEEDED_FILES = []
 
-NEEDED_FILES = ["operator_card_template_name"]
 GENERIC_OPTIONS = "general"
 
 
@@ -87,8 +86,6 @@ def enhance_paths(configs_):
     for key in required_keys:
         if key not in configs_["paths"]:
             raise ValueError(f"Configuration is missing a 'paths.{key}' key")
-        if key in NEEDED_FILES:
-            continue
         if pathlib.Path(configs_["paths"][key]).anchor == "":
             configs_["paths"][key] = configs_["paths"]["root"] / configs_["paths"][key]
         else:

src/pineko/evolve.py

@@ -22,7 +22,7 @@
 from eko.matchings import Atlas, nf_default
 from eko.quantities import heavy_quarks
 
-from . import check, comparator, version
+from . import check, comparator, opcard_template, version
 
 logger = logging.getLogger(__name__)
 
@@ -94,22 +94,31 @@ def get_convolution_suffix(convolution: pineappl.convolutions.Conv) -> str:
 
 def write_operator_card_from_file(
     pineappl_path: os.PathLike,
-    default_card_path: os.PathLike,
     card_path: os.PathLike,
     tcard: dict,
+    ipd=4,
+    iil=True,
+    int_cores=1,
 ):
     """Generate operator card for a grid.
 
     Parameters
     ----------
     pineappl_path : str or os.PathLike
         path to grid to evolve
-    default_card : str or os.PathLike
-        base operator card
     card_path : str or os.PathLike
         target path
     tcard: dict
         theory card for the run
+    ipd:
+        interpolation polynomial degree, taken from cli. 
+        Set to default value
+    iil:
+        interpolation is log, taken from cli. 
+        Set to default value
+    int_cores:
+        number of integration cores, taken 
+        from cli. Set to default value
 
     Returns
     -------
@@ -124,11 +133,7 @@ def write_operator_card_from_file(
         raise FileNotFoundError(pineappl_path)
     pineappl_grid = pineappl.grid.Grid.read(pineappl_path)
     pineappl_grid.optimize()
-    default_card = yaml.safe_load(
-        pathlib.Path(default_card_path).read_text(encoding="utf-8")
-    )
-
-    return write_operator_card(pineappl_grid, default_card, card_path, tcard)
+    return write_operator_card(pineappl_grid, card_path, tcard, ipd, iil, int_cores)
 
 
 def dump_card(
@@ -166,23 +171,29 @@ def dump_card(
 
 def write_operator_card(
     pineappl_grid: pineappl.grid.Grid,
-    default_card: dict,
     card_path: Union[str, os.PathLike],
     tcard: dict,
+    ipd, 
+    iil, 
+    int_cores
 ):
     """Generate operator card for this grid.
 
     Parameters
     ----------
     pineappl_grid : pineappl.grid.Grid
         grid to evolve
-    default_card : dict
-        base operator card
     card_path : str or os.PathLike
         target path
     tcard: dict
         theory card for the run, since some information in EKO is now required
         in operator card, but before was in the theory card
+    ipd:
+        interpolation polynomial degree, taken from cli
+    iil:
+        interpolation is log, taken from cli
+    int_cores:
+        number of integration cores, taken from cli
 
     Returns
     -------
@@ -204,18 +215,28 @@ def write_operator_card(
     # ... to get the x and muF grids for the eko
     evol_info = pineappl_grid.evolve_info(order_mask)
     muf2_grid = evol_info.fac1
-    operators_card = copy.deepcopy(default_card)
+    operators_card = {}
+    operators_card["configs"] = {}
     sv_method = sv_scheme(tcard)
     xif = 1.0 if sv_method is not None else tcard["XIF"]
     # update scale variation method
-    operators_card["configs"]["scvar_method"] = sv_method
-
+    operators_card["configs"]["scvar_method"] = sv_scheme(tcard)
+    operators_card["configs"]["ev_op_max_order"] = opcard_template.CONSTANTS["configs"]["ev_op_max_order"]
+    operators_card["debug"] = opcard_template.CONSTANTS["debug"]
     operators_card["init"] = (tcard["Q0"], tcard["nf0"])
-    if default_card.get("init") is not None and default_card["init"] != [
+    # setting the parameters from the cli
+    operators_card["configs"]["interpolation_polynomial_degree"] = ipd
+    operators_card["configs"]["interpolation_is_log"] = iil
+    operators_card["configs"]["n_integration_cores"] = int_cores
+    if opcard_template.CONSTANTS["init"] is not None and opcard_template.CONSTANTS["init"] != (
         tcard["Q0"],
         tcard["nf0"],
-    ]:
-        raise ValueError("Template declares a value of Q0, nf0 different from theory")
+    ):
+        raise logger.warning(
+            f"Warning! Q0 and nf0 from your theory are different "
+            f"than default settings ({tcard['Q0']}, {tcard['nf0']} vs "
+            f"{opcard_template.CONSTANTS['init']}). Check if this is really what you want!"
+            )
 
     q2_grid = (xif * xif * muf2_grid).tolist()
     # If we are producing nFONLL FKs we need to look to NfFF...
@@ -232,44 +253,32 @@ def write_operator_card(
         x_grid = np.append(x_grid, 1.0)
         operators_card["configs"]["interpolation_polynomial_degree"] = 1
         operators_card["xgrid"] = x_grid.tolist()
+    else:
+        operators_card["xgrid"] = opcard_template.xgrid
 
     # Add the version of eko and pineko to the operator card
     # using importlib.metadata.version to get the correct tag in editable mode
     operators_card["eko_version"] = metadata.version("eko")
 
     # Choose the evolution method according to the theory if the key is included
     if "ModEv" in tcard:
-        opconf = operators_card["configs"]
         if tcard["ModEv"] == "TRN":
-            opconf["evolution_method"] = "truncated"
-            opconf["ev_op_iterations"] = 1
+            operators_card["configs"]["evolution_method"] = "truncated"
+            operators_card["configs"]["ev_op_iterations"] = 1
+            operators_card["configs"]["inversion_method"] = "expanded"
         elif tcard["ModEv"] == "EXA":
-            opconf["evolution_method"] = "iterate-exact"
+            operators_card["configs"]["evolution_method"] = "iterate-exact"
+            operators_card["configs"]["inversion_method"] = "exact"
             if "IterEv" in tcard:
-                opconf["ev_op_iterations"] = tcard["IterEv"]
-            elif "ev_op_iterations" not in default_card["configs"]:
+                operators_card["configs"]["ev_op_iterations"] = tcard["IterEv"]
+            else:
                 raise ValueError(
-                    "EXA used but IterEv not found in the theory card and not ev_op_iterations set in the template"
+                    "EXA used but IterEv not found in the theory card"
                 )
-
-        # If the evolution method is defined in the template and it is different, fail
-        template_method = default_card["configs"].get("evolution_method")
-        if (
-            template_method is not None
-            and template_method != opconf["evolution_method"]
-        ):
-            raise ValueError(
-                f"The template and the theory have different evolution method ({template_method} vs {opconf['key']})"
-            )
-
-        # If the change is on the number of iterations, take the template value but warn the user
-        template_iter = default_card["configs"].get("ev_op_iterations")
-        if template_iter is not None and int(template_iter) != int(
-            opconf["ev_op_iterations"]
-        ):
-            raise ValueError(
-                f"The number of iteration in the theory and template is different, ({template_iter} vs {opconf['ev_op_iterations']})"
-            )
+    else:
+        raise ValueError(
+            "Evolution method not set in theory card"
+        )
 
     # Some safety checks
     if (
@@ -286,7 +295,6 @@ def write_operator_card(
 
     for conv in convolutions:
         dump_card(card_path, operators_card, conv)
-
     return operators_card["xgrid"], q2_grid