Substitution of apfel with eko in evolven3fit

.gitignore

@@ -378,6 +378,9 @@ ENV/
 env.bak/
 venv.bak/
 
+conda-build
+conda_bld/
+
 # Spyder project settings
 .spyderproject
 .spyproject

conda-recipe/conda_build_config.yaml

@@ -1,7 +1,7 @@
 #For some reason the resolver decides to use an old version of numpy
 #without this
 numpy:
-    - 1.22
+    - 1.21
 
 pin_run_as_build:
     lhapdf: x.x.x

conda-recipe/meta.yaml

@@ -50,7 +50,11 @@ requirements:
         - sphinx_rtd_theme >0.5
         - sphinxcontrib-bibtex
         - curio >=1.0
-        - pineappl >=0.5.2
+        - pineappl >=0.5.8
+        - eko ==0.10.2
+        - banana-hep ==0.6.6
+        - lz4 >=3.1.10 # see https://github.com/conda-forge/eko-feedstock/issues/10
+
 
 test:
     requires:

n3fit/setup.py

@@ -13,6 +13,7 @@
 
         entry_points = {'console_scripts':
             ['n3fit = n3fit.scripts.n3fit_exec:main',
+             'evolven3fit_new = n3fit.scripts.evolven3fit_new:main',
              'vp-setupfit = n3fit.scripts.vp_setupfit:main',
              'varflavors = n3fit.scripts.varflavors:main',
              ]

n3fit/src/evolven3fit_new/cli.py

@@ -0,0 +1,244 @@
+from . import evolve, utils
+
+import numpy as np
+
+XGRID = np.array(
+    [
+        1.00000000000000e-09,
+        1.29708482343957e-09,
+        1.68242903474257e-09,
+        2.18225315420583e-09,
+        2.83056741739819e-09,
+        3.67148597892941e-09,
+        4.76222862935315e-09,
+        6.17701427376180e-09,
+        8.01211109898438e-09,
+        1.03923870607245e-08,
+        1.34798064073805e-08,
+        1.74844503691778e-08,
+        2.26788118881103e-08,
+        2.94163370300835e-08,
+        3.81554746595878e-08,
+        4.94908707232129e-08,
+        6.41938295708371e-08,
+        8.32647951986859e-08,
+        1.08001422993829e-07,
+        1.40086873081130e-07,
+        1.81704331793772e-07,
+        2.35685551545377e-07,
+        3.05703512595323e-07,
+        3.96522309841747e-07,
+        5.14321257236570e-07,
+        6.67115245136676e-07,
+        8.65299922973143e-07,
+        1.12235875241487e-06,
+        1.45577995547683e-06,
+        1.88824560514613e-06,
+        2.44917352454946e-06,
+        3.17671650028717e-06,
+        4.12035415232797e-06,
+        5.34425265752090e-06,
+        6.93161897806315e-06,
+        8.99034258238145e-06,
+        1.16603030112258e-05,
+        1.51228312288769e-05,
+        1.96129529349212e-05,
+        2.54352207134502e-05,
+        3.29841683435992e-05,
+        4.27707053972016e-05,
+        5.54561248105849e-05,
+        7.18958313632514e-05,
+        9.31954227979614e-05,
+        1.20782367731330e-04,
+        1.56497209466554e-04,
+        2.02708936328495e-04,
+        2.62459799331951e-04,
+        3.39645244168985e-04,
+        4.39234443000422e-04,
+        5.67535660104533e-04,
+        7.32507615725537e-04,
+        9.44112105452451e-04,
+        1.21469317686978e-03,
+        1.55935306118224e-03,
+        1.99627451141338e-03,
+        2.54691493736552e-03,
+        3.23597510213126e-03,
+        4.09103436509565e-03,
+        5.14175977083962e-03,
+        6.41865096062317e-03,
+        7.95137940306351e-03,
+        9.76689999624100e-03,
+        1.18876139251364e-02,
+        1.43298947643919e-02,
+        1.71032279460271e-02,
+        2.02100733925079e-02,
+        2.36463971369542e-02,
+        2.74026915728357e-02,
+        3.14652506132444e-02,
+        3.58174829282429e-02,
+        4.04411060163317e-02,
+        4.53171343973807e-02,
+        5.04266347950069e-02,
+        5.57512610084339e-02,
+        6.12736019390519e-02,
+        6.69773829498255e-02,
+        7.28475589986517e-02,
+        7.88703322292727e-02,
+        8.50331197801452e-02,
+        9.13244910278679e-02,
+        9.77340879783772e-02,
+        1.04252538208639e-01,
+        1.10871366547237e-01,
+        1.17582909372878e-01,
+        1.24380233801599e-01,
+        1.31257062945031e-01,
+        1.38207707707289e-01,
+        1.45227005135651e-01,
+        1.52310263065985e-01,
+        1.59453210652156e-01,
+        1.66651954293987e-01,
+        1.73902938455578e-01,
+        1.81202910873333e-01,
+        1.88548891679097e-01,
+        1.95938145999193e-01,
+        2.03368159629765e-01,
+        2.10836617429103e-01,
+        2.18341384106561e-01,
+        2.25880487124065e-01,
+        2.33452101459503e-01,
+        2.41054536011681e-01,
+        2.48686221452762e-01,
+        2.56345699358723e-01,
+        2.64031612468684e-01,
+        2.71742695942783e-01,
+        2.79477769504149e-01,
+        2.87235730364833e-01,
+        2.95015546847664e-01,
+        3.02816252626866e-01,
+        3.10636941519503e-01,
+        3.18476762768082e-01,
+        3.26334916761672e-01,
+        3.34210651149156e-01,
+        3.42103257303627e-01,
+        3.50012067101685e-01,
+        3.57936449985571e-01,
+        3.65875810279643e-01,
+        3.73829584735962e-01,
+        3.81797240286494e-01,
+        3.89778271981947e-01,
+        3.97772201099286e-01,
+        4.05778573402340e-01,
+        4.13796957540671e-01,
+        4.21826943574548e-01,
+        4.29868141614175e-01,
+        4.37920180563205e-01,
+        4.45982706956990e-01,
+        4.54055383887562e-01,
+        4.62137890007651e-01,
+        4.70229918607142e-01,
+        4.78331176755675e-01,
+        4.86441384506059e-01,
+        4.94560274153348e-01,
+        5.02687589545177e-01,
+        5.10823085439086e-01,
+        5.18966526903235e-01,
+        5.27117688756998e-01,
+        5.35276355048428e-01,
+        5.43442318565661e-01,
+        5.51615380379768e-01,
+        5.59795349416641e-01,
+        5.67982042055800e-01,
+        5.76175281754088e-01,
+        5.84374898692498e-01,
+        5.92580729444440e-01,
+        6.00792616663950e-01,
+        6.09010408792398e-01,
+        6.17233959782450e-01,
+        6.25463128838069e-01,
+        6.33697780169485e-01,
+        6.41937782762089e-01,
+        6.50183010158361e-01,
+        6.58433340251944e-01,
+        6.66688655093089e-01,
+        6.74948840704708e-01,
+        6.83213786908386e-01,
+        6.91483387159697e-01,
+        6.99757538392251e-01,
+        7.08036140869916e-01,
+        7.16319098046733e-01,
+        7.24606316434025e-01,
+        7.32897705474271e-01,
+        7.41193177421404e-01,
+        7.49492647227008e-01,
+        7.57796032432224e-01,
+        7.66103253064927e-01,
+        7.74414231541921e-01,
+        7.82728892575836e-01,
+        7.91047163086478e-01,
+        7.99368972116378e-01,
+        8.07694250750291e-01,
+        8.16022932038457e-01,
+        8.24354950923382e-01,
+        8.32690244169987e-01,
+        8.41028750298844e-01,
+        8.49370409522600e-01,
+        8.57715163684985e-01,
+        8.66062956202683e-01,
+        8.74413732009721e-01,
+        8.82767437504206e-01,
+        8.91124020497459e-01,
+        8.99483430165226e-01,
+        9.07845617001021e-01,
+        9.16210532771399e-01,
+        9.24578130473112e-01,
+        9.32948364292029e-01,
+        9.41321189563734e-01,
+        9.49696562735755e-01,
+        9.58074441331298e-01,
+        9.66454783914439e-01,
+        9.74837550056705e-01,
+        9.83222700304978e-01,
+        9.91610196150662e-01,
+        1.00000000000000e00,
+    ]
+)
+
+
+def cli_evolven3fit_new(
+    configuration_folder,
+    q_fin,
+    q_points,
+    op_card_info,
+    theory_card_info,
+    dump,
+    load,
+    force,
+):
+    """Evolves the fitted PDFs.
+
+    The q_grid starts at the Q0 given by the theory but
+    the last point is q_fin and its number of
+    points can be specified by q_points. If just one of the
+    two is not specified by the user, the default grid
+    will be used.
+
+    If a path is given for the dump option, the eko
+    will be dumped in that path after the computation.
+
+    If a path is given for the load option, the eko
+    to be used for the evolution will be loaded from that
+    path.
+
+    The two options are mutually exclusive.
+    """
+    utils.check_is_a_fit(configuration_folder)
+    return evolve.evolve_fit(
+        configuration_folder,
+        q_fin,
+        q_points,
+        op_card_info,
+        theory_card_info,
+        force,
+        load,
+        dump,
+    )

n3fit/src/evolven3fit_new/eko_utils.py

@@ -0,0 +1,83 @@
+from ekobox import gen_theory, gen_op
+from eko import run_dglap
+
+from validphys.loader import Loader
+from . import utils
+
+from typing import Any, Dict, Optional
+import logging
+
+_logger = logging.getLogger(__name__)
+
+
+def construct_eko_cards(
+    theoryID,
+    q_fin,
+    q_points,
+    x_grid,
+    op_card_dict: Optional[Dict[str, Any]] = None,
+    theory_card_dict: Optional[Dict[str, Any]] = None,
+):
+    """
+    Return the theory and operator cards used to construct the eko.
+    theoryID is the ID of the theory for which we are computing the theory and operator card.
+    q_fin is the final point of the q grid while q_points is the number of points of the grid.
+    x_grid is the x grid to be used.
+    op_card_dict and theory_card_dict are optional updates that can be provided respectively to the
+    operator card and to the theory card.
+    """
+    if theory_card_dict is None:
+        theory_card_dict = {}
+    if op_card_dict is None:
+        op_card_dict = {}
+    # theory_card construction
+    theory = Loader().check_theoryID(theoryID).get_description()
+    theory.pop("FNS")
+    theory.update(theory_card_dict)
+    theory_card = gen_theory.gen_theory_card(theory["PTO"], theory["Q0"], update=theory)
+    # construct operator card
+    q2_grid = utils.generate_q2grid(
+        theory["Q0"],
+        q_fin,
+        q_points,
+        {theory["mb"]: theory["kbThr"], theory["mt"]: theory["ktThr"]},
+    )
+    op_card = gen_op.gen_op_card(q2_grid, update={"interpolation_xgrid": x_grid})
+    op_card.update(op_card_dict)
+    return theory_card, op_card
+
+
+def construct_eko_for_fit(theory_card, op_card, save_path=None):
+    """
+    Construct the eko operator needed for evolution of fitted pdfs
+
+    Parameters
+    ----------
+        theory_card: dict
+            theory card to use for the eko
+        op_card: dict
+            operator card to use for the eko
+        save_path: pathlib.Path
+            path where the eko will be saved (the eko
+            won't be saved if save_path is None)
+    Returns
+    -------
+        : eko.output.Output
+        eko operator
+    """
+    # generate eko operator
+    if save_path is not None:
+        if not save_path.parent.exists():
+            raise FileNotFoundError(
+                f"Path where eko should be dumped does not exist: {save_path}"
+            )
+    eko_op = run_dglap(theory_card, op_card)
+    if save_path is not None:
+        # Here we want to catch all possible exceptions in order to avoid losing the computed eko
+        try:
+            _logger.info(f"Saving computed eko to : {save_path}")
+            eko_op.dump_tar(save_path)
+        except:
+            _logger.error(f"Error saving the eko to : {save_path}")
+            pass
+    return eko_op