test: define targets in conftest.py, refactor devtools usages (#1327)

* configure exes in conftest.py instead of devtools
* remove usages of Case (to be removed from devtools)
* refactor test_gwf_maw[1-4] to accommodate removal

autotest/conftest.py

@@ -1,8 +1,11 @@
 import platform
+import sys
 from pathlib import Path
+from os import PathLike
+from typing import Dict
 
 import pytest
-from modflow_devtools.executables import Executables, build_default_exe_dict
+from modflow_devtools.executables import Executables, get_suffixes
 
 pytest_plugins = ["modflow_devtools.fixtures"]
 project_root_path = Path(__file__).resolve().parent.parent
@@ -45,7 +48,42 @@ def libmf6_path(bin_path) -> Path:
 
 @pytest.fixture(scope="session")
 def targets(bin_path) -> Executables:
-    return Executables(**build_default_exe_dict(bin_path))
+    exe_ext, lib_ext = get_suffixes(sys.platform)
+    dl_bin = bin_path / "downloaded"
+    rb_bin = bin_path / "rebuilt"
+    tgts = dict()
+
+    # downloaded executables
+    tgts["mf2000"] = dl_bin / f"mf2000{exe_ext}"
+    tgts["mf2005"] = dl_bin / f"mf2005dbl{exe_ext}"
+    tgts["mfnwt"] = dl_bin / f"mfnwtdbl{exe_ext}"
+    tgts["mfusg"] = dl_bin / f"mfusgdbl{exe_ext}"
+    tgts["mflgr"] = dl_bin / f"mflgrdbl{exe_ext}"
+    tgts["mf2005s"] = dl_bin / f"mf2005{exe_ext}"
+    tgts["mt3dms"] = dl_bin / f"mt3dms{exe_ext}"
+    tgts["crt"] = dl_bin / f"crt{exe_ext}"
+    tgts["gridgen"] = dl_bin / f"gridgen{exe_ext}"
+    tgts["mp6"] = dl_bin / f"mp6{exe_ext}"
+    tgts["mp7"] = dl_bin / f"mp7{exe_ext}"
+    tgts["swtv4"] = dl_bin / f"swtv4{exe_ext}"
+    tgts["sutra"] = dl_bin / f"sutra{exe_ext}"
+    tgts["triangle"] = dl_bin / f"triangle{exe_ext}"
+    tgts["vs2dt"] = dl_bin / f"vs2dt{exe_ext}"
+    tgts["zonbudusg"] = dl_bin / f"zonbudusg{exe_ext}"
+
+    # binaries rebuilt from last release
+    tgts["mf6_regression"] = rb_bin / f"mf6{exe_ext}"
+    tgts["libmf6_regression"] = rb_bin / f"libmf6{lib_ext}"
+    tgts["mf5to6_regression"] = rb_bin / f"mf5to6{exe_ext}"
+    tgts["zbud6_regression"] = rb_bin / f"zbud6{exe_ext}"
+
+    # local development binaries
+    tgts["mf6"] = bin_path / f"mf6{exe_ext}"
+    tgts["libmf6"] = bin_path / f"libmf6{lib_ext}"
+    tgts["mf5to6"] = bin_path / f"mf5to6{exe_ext}"
+    tgts["zbud6"] = bin_path / f"zbud6{exe_ext}"
+
+    return Executables(**tgts)
 
 
 @pytest.fixture

autotest/test_gwf_maw01.py

@@ -0,0 +1,213 @@
+import os
+from types import SimpleNamespace as Case
+
+import flopy
+import numpy as np
+import pytest
+
+from framework import TestFramework
+from simulation import TestSimulation
+
+budtol = 1e-2
+bud_lst = ["GWF_IN", "GWF_OUT", "RATE_IN", "RATE_OUT"]
+
+well1 = Case(
+    observations={"maw_obs.csv": [("mh1", "head", 1)]},
+    packagedata=[[0, 0.1, 50.0, 100.0, "THIEM", 1]],
+    connectiondata=[[0, 0, (0, 0, 1), 100.0, 50.0, 1.0, 0.1]],
+    perioddata=[[0, "rate", 0.0]],
+)
+
+ex = ["maw01", "maw01nwt", "maw01nwtur"]
+krylov = ["CG", "BICGSTAB", "BICGSTAB"]
+newton = [None, "NEWTON", "NEWTON UNDER_RELAXATION"]
+nlay = 1
+nrow = 1
+ncol = 3
+nper = 3
+delr = 300
+delc = 300
+perlen = 3 * [1]
+nstp = 3 * [1]
+tsmult = 3 * [1]
+well = well1
+strt = 100
+hk = 1
+nouter = 100
+ninner = 300
+hclose = 1e-9
+rclose = 1e-3
+relaxation_factor = 1
+compare = False
+
+
+def build_model(idx, ws, mf6):
+    name = ex[idx]
+    sim = flopy.mf6.MFSimulation(
+        sim_name=name,
+        version="mf6",
+        exe_name=mf6,
+        sim_ws=ws,
+    )
+
+    # create tdis package
+    tdis_rc = [(perlen[i], nstp[i], tsmult[i]) for i in range(nper)]
+    tdis = flopy.mf6.ModflowTdis(
+        sim, time_units="DAYS", nper=nper, perioddata=tdis_rc
+    )
+
+    # create gwf model
+    gwf = flopy.mf6.MFModel(
+        sim,
+        model_type="gwf6",
+        modelname=name,
+        model_nam_file=f"{name}.nam",
+    )
+    gwf.name_file.newtonoptions = newton[idx]
+
+    # create iterative model solution and register the gwf model with it
+    ims = flopy.mf6.ModflowIms(
+        sim,
+        print_option="SUMMARY",
+        outer_dvclose=hclose,
+        outer_maximum=nouter,
+        under_relaxation="NONE",
+        inner_maximum=ninner,
+        inner_dvclose=hclose,
+        rcloserecord=rclose,
+        linear_acceleration=krylov[idx],
+        scaling_method="NONE",
+        reordering_method="NONE",
+        relaxation_factor=relaxation_factor,
+    )
+    sim.register_ims_package(ims, [gwf.name])
+
+    dis = flopy.mf6.ModflowGwfdis(
+        gwf,
+        nlay=nlay,
+        nrow=nrow,
+        ncol=ncol,
+        delr=delr,
+        delc=delc,
+        top=100.0,
+        botm=0.0,
+        idomain=1,
+        filename=f"{name}.dis",
+    )
+
+    # initial conditions
+    ic = flopy.mf6.ModflowGwfic(gwf, strt=strt, filename=f"{name}.ic")
+
+    # node property flow
+    npf = flopy.mf6.ModflowGwfnpf(
+        gwf,
+        save_flows=True,
+        icelltype=1,
+        k=hk,
+        k33=hk,
+        filename=f"{name}.npf",
+    )
+    # storage
+    sto = flopy.mf6.ModflowGwfsto(
+        gwf,
+        save_flows=True,
+        iconvert=1,
+        ss=0.0,
+        sy=0.1,
+        steady_state={0: True},
+        # transient={1: False},
+        filename=f"{name}.sto",
+    )
+
+    # chd files
+    chdlist0 = []
+    chdlist0.append([(0, 0, 0), 100.0])
+    chdlist0.append([(0, 0, 2), 100.0])
+
+    chdlist1 = []
+    chdlist1.append([(0, 0, 0), 25.0])
+    chdlist1.append([(0, 0, 2), 25.0])
+
+    chdspdict = {0: chdlist0, 1: chdlist1, 2: chdlist0}
+    chd = flopy.mf6.ModflowGwfchd(
+        gwf,
+        stress_period_data=chdspdict,
+        save_flows=False,
+        filename=f"{name}.chd",
+    )
+
+    # wel files
+    # wel = flopy.mf6.ModflowGwfwel(gwf, print_input=True, print_flows=True,
+    #                              maxbound=len(ws),
+    #                              periodrecarray=wd6,
+    #                              save_flows=False)
+    # MAW
+    maw = flopy.mf6.ModflowGwfmaw(
+        gwf,
+        filename=f"{name}.maw",
+        print_input=True,
+        print_head=True,
+        print_flows=True,
+        save_flows=True,
+        observations=well.observations,
+        packagedata=well.packagedata,
+        connectiondata=well.connectiondata,
+        perioddata=well.perioddata,
+    )
+
+    # output control
+    oc = flopy.mf6.ModflowGwfoc(
+        gwf,
+        budget_filerecord=f"{name}.cbc",
+        head_filerecord=f"{name}.hds",
+        headprintrecord=[("COLUMNS", 10, "WIDTH", 15, "DIGITS", 6, "GENERAL")],
+        saverecord=[("HEAD", "ALL")],
+        printrecord=[("HEAD", "ALL"), ("BUDGET", "ALL")],
+        filename=f"{name}.oc",
+    )
+
+    return sim, None
+
+
+def eval_results(sim):
+    print("evaluating MAW heads...")
+
+    # MODFLOW 6 maw results
+    fpth = os.path.join(sim.simpath, "maw_obs.csv")
+    tc = np.genfromtxt(fpth, names=True, delimiter=",")
+
+    # create known results array
+    tc0 = np.array([100.0, 25.0, 100.0])
+
+    # calculate maximum absolute error
+    diff = tc["MH1"] - tc0
+    diffmax = np.abs(diff).max()
+    dtol = 1e-9
+    msg = f"maximum absolute maw head difference ({diffmax}) "
+
+    if diffmax > dtol:
+        sim.success = False
+        msg += f"exceeds {dtol}"
+        assert diffmax < dtol, msg
+    else:
+        sim.success = True
+        print("    " + msg)
+
+
+@pytest.mark.parametrize("idx, name", list(enumerate(ex)))
+def test_mf6model(idx, name, function_tmpdir, targets):
+    ws = str(function_tmpdir)
+    sim, _ = build_model(idx, ws, targets.mf6)
+    sim.write_simulation()
+    sim.run_simulation()
+    test = TestFramework()
+    test.run(
+        TestSimulation(
+            name=name,
+            exe_dict=targets,
+            exfunc=eval_results,
+            idxsim=idx,
+            make_comparison=False,
+        ),
+        ws,
+    )