mv {mb->matbench}_discovery

janosh · janosh · commit 9fdab8cb304b · 2023-06-19T20:29:21.000-07:00
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
@@ -29,4 +29,4 @@ jobs:
 
       - name: Run tests
         id: tests
-        run: pytest --durations 0 --cov mb_discovery
+        run: pytest --durations 0 --cov matbench_discovery
diff --git a/data/wbm/fetch_process_wbm_dataset.py b/data/wbm/fetch_process_wbm_dataset.py
@@ -20,8 +20,8 @@
 from pymatviz import density_scatter
 from tqdm import tqdm
 
-from mb_discovery import ROOT
-from mb_discovery.energy import get_e_form_per_atom
+from matbench_discovery import ROOT
+from matbench_discovery.energy import get_e_form_per_atom
 
 try:
     import gdown
diff --git a/matbench_discovery/__init__.py b/matbench_discovery/__init__.py
diff --git a/matbench_discovery/build_phase_diagram.py b/matbench_discovery/build_phase_diagram.py
@@ -12,8 +12,8 @@
 from pymatgen.entries.computed_entries import ComputedEntry
 from pymatgen.ext.matproj import MPRester
 
-from mb_discovery import ROOT
-from mb_discovery.energy import get_e_form_per_atom, get_elemental_ref_entries
+from matbench_discovery import ROOT
+from matbench_discovery.energy import get_e_form_per_atom, get_elemental_ref_entries
 
 today = f"{datetime.now():%Y-%m-%d}"
 module_dir = os.path.dirname(__file__)
diff --git a/matbench_discovery/energy.py b/matbench_discovery/energy.py
@@ -7,7 +7,7 @@
 from pymatgen.util.typing import EntryLike
 from tqdm import tqdm
 
-from mb_discovery import ROOT
+from matbench_discovery import ROOT
 
 
 def get_elemental_ref_entries(
diff --git a/matbench_discovery/plot_scripts/hist_classified_stable_as_func_of_hull_dist.py b/matbench_discovery/plot_scripts/hist_classified_stable_as_func_of_hull_dist.py
@@ -3,9 +3,9 @@
 
 import pandas as pd
 
-from mb_discovery import ROOT
-from mb_discovery.plot_scripts import df_wbm
-from mb_discovery.plots import (
+from matbench_discovery import ROOT
+from matbench_discovery.plot_scripts import df_wbm
+from matbench_discovery.plots import (
     StabilityCriterion,
     WhichEnergy,
     hist_classified_stable_as_func_of_hull_dist,
diff --git a/matbench_discovery/plot_scripts/hist_classified_stable_as_func_of_hull_dist_batches.py b/matbench_discovery/plot_scripts/hist_classified_stable_as_func_of_hull_dist_batches.py
@@ -4,9 +4,9 @@
 import pandas as pd
 import pymatviz
 
-from mb_discovery import ROOT
-from mb_discovery.plot_scripts import df_wbm
-from mb_discovery.plots import (
+from matbench_discovery import ROOT
+from matbench_discovery.plot_scripts import df_wbm
+from matbench_discovery.plots import (
     StabilityCriterion,
     WhichEnergy,
     hist_classified_stable_as_func_of_hull_dist,
diff --git a/matbench_discovery/plot_scripts/precision_recall_vs_calc_count.py b/matbench_discovery/plot_scripts/precision_recall_vs_calc_count.py
@@ -4,9 +4,9 @@
 import pandas as pd
 from sklearn.metrics import f1_score
 
-from mb_discovery import ROOT
-from mb_discovery.plot_scripts import df_wbm
-from mb_discovery.plots import StabilityCriterion, precision_recall_vs_calc_count
+from matbench_discovery import ROOT
+from matbench_discovery.plot_scripts import df_wbm
+from matbench_discovery.plots import StabilityCriterion, precision_recall_vs_calc_count
 
 __author__ = "Rhys Goodall, Janosh Riebesell"
 
diff --git a/matbench_discovery/plot_scripts/rolling_mae_vs_hull_dist.py b/matbench_discovery/plot_scripts/rolling_mae_vs_hull_dist.py
@@ -3,9 +3,9 @@
 
 import pandas as pd
 
-from mb_discovery import ROOT
-from mb_discovery.plot_scripts import df_wbm
-from mb_discovery.plots import rolling_mae_vs_hull_dist
+from matbench_discovery import ROOT
+from matbench_discovery.plot_scripts import df_wbm
+from matbench_discovery.plots import rolling_mae_vs_hull_dist
 
 __author__ = "Rhys Goodall, Janosh Riebesell"
 __date__ = "2022-06-18"
diff --git a/matbench_discovery/plot_scripts/rolling_mae_vs_hull_dist_wbm_batches.py b/matbench_discovery/plot_scripts/rolling_mae_vs_hull_dist_wbm_batches.py
@@ -3,9 +3,9 @@
 
 import pandas as pd
 
-from mb_discovery import ROOT
-from mb_discovery.plot_scripts import df_wbm
-from mb_discovery.plots import plt, rolling_mae_vs_hull_dist
+from matbench_discovery import ROOT
+from matbench_discovery.plot_scripts import df_wbm
+from matbench_discovery.plots import plt, rolling_mae_vs_hull_dist
 
 __author__ = "Rhys Goodall, Janosh Riebesell"
 __date__ = "2022-06-18"
diff --git a/matbench_discovery/plots.py b/matbench_discovery/plots.py
diff --git a/matbench_discovery/slurm.py b/matbench_discovery/slurm.py
diff --git a/models/bowsr/join_bowsr_results.py b/models/bowsr/join_bowsr_results.py
@@ -10,7 +10,7 @@
 from pymatgen.core import Structure
 from tqdm import tqdm
 
-from mb_discovery import ROOT, as_dict_handler
+from matbench_discovery import ROOT, as_dict_handler
 
 __author__ = "Janosh Riebesell"
 __date__ = "2022-09-22"
diff --git a/models/bowsr/slurm_array_bowsr_wbm.py b/models/bowsr/slurm_array_bowsr_wbm.py
@@ -14,8 +14,8 @@
 from maml.apps.bowsr.optimizer import BayesianOptimizer
 from tqdm import tqdm
 
-from mb_discovery import ROOT, as_dict_handler
-from mb_discovery.slurm import slurm_submit_python
+from matbench_discovery import ROOT, as_dict_handler
+from matbench_discovery.slurm import slurm_submit_python
 
 __author__ = "Janosh Riebesell"
 __date__ = "2022-08-15"
diff --git a/models/m3gnet/eda_wbm_pre_vs_post_m3gnet_relaxation.py b/models/m3gnet/eda_wbm_pre_vs_post_m3gnet_relaxation.py
@@ -9,7 +9,7 @@
 from pymatviz.utils import add_identity_line
 from sklearn.metrics import r2_score
 
-from mb_discovery import ROOT
+from matbench_discovery import ROOT
 
 __author__ = "Janosh Riebesell"
 __date__ = "2022-06-18"
diff --git a/models/m3gnet/join_m3gnet_relax_results.py b/models/m3gnet/join_m3gnet_relax_results.py
@@ -10,8 +10,8 @@
 from pymatgen.core import Structure
 from tqdm import tqdm
 
-from mb_discovery import ROOT, as_dict_handler
-from mb_discovery.energy import get_e_form_per_atom
+from matbench_discovery import ROOT, as_dict_handler
+from matbench_discovery.energy import get_e_form_per_atom
 
 __author__ = "Janosh Riebesell"
 __date__ = "2022-08-16"
diff --git a/models/m3gnet/slurm_array_m3gnet_relax_wbm.py b/models/m3gnet/slurm_array_m3gnet_relax_wbm.py
@@ -13,8 +13,8 @@
 from m3gnet.models import Relaxer
 from tqdm import tqdm
 
-from mb_discovery import ROOT, as_dict_handler
-from mb_discovery.slurm import slurm_submit_python
+from matbench_discovery import ROOT, as_dict_handler
+from matbench_discovery.slurm import slurm_submit_python
 
 """
 To slurm submit this file, run:
diff --git a/models/wrenformer/mp/get_mp_energies.py b/models/wrenformer/mp/get_mp_energies.py
@@ -7,7 +7,7 @@
 from mp_api.client import MPRester
 from tqdm import tqdm
 
-from mb_discovery import ROOT
+from matbench_discovery import ROOT
 
 """
 Download all MP formation and above hull energies on 2022-08-13.
diff --git a/models/wrenformer/slurm_array_wrenformer.py b/models/wrenformer/slurm_array_wrenformer.py
@@ -4,8 +4,8 @@
 
 from aviary.wrenformer.train import train_wrenformer_on_df
 
-from mb_discovery import ROOT
-from mb_discovery.slurm import slurm_submit_python
+from matbench_discovery import ROOT
+from matbench_discovery.slurm import slurm_submit_python
 
 """
 Train a Wrenformer
diff --git a/tests/test_energy.py b/tests/test_energy.py
@@ -11,7 +11,7 @@
     Entry,
 )
 
-from mb_discovery.energy import get_e_form_per_atom, get_elemental_ref_entries
+from matbench_discovery.energy import get_e_form_per_atom, get_elemental_ref_entries
 
 dummy_struct = Structure(
     lattice=Lattice.cubic(5),
diff --git a/tests/test_init.py b/tests/test_init.py
@@ -3,7 +3,7 @@
 import os
 from typing import Any
 
-from mb_discovery import PKG_DIR, ROOT, as_dict_handler, chunks
+from matbench_discovery import PKG_DIR, ROOT, as_dict_handler, chunks
 
 
 def test_has_root_pkg_dir() -> None:
diff --git a/tests/test_plots.py b/tests/test_plots.py
@@ -7,9 +7,9 @@
 import pandas as pd
 import pytest
 
-from mb_discovery import ROOT
-from mb_discovery.plot_scripts import df_wbm
-from mb_discovery.plots import (
+from matbench_discovery import ROOT
+from matbench_discovery.plot_scripts import df_wbm
+from matbench_discovery.plots import (
     StabilityCriterion,
     hist_classified_stable_as_func_of_hull_dist,
     precision_recall_vs_calc_count,
diff --git a/tests/test_slurm.py b/tests/test_slurm.py
@@ -5,7 +5,7 @@
 import pytest
 from pytest import CaptureFixture
 
-from mb_discovery.slurm import _get_calling_file_path, slurm_submit_python
+from matbench_discovery.slurm import _get_calling_file_path, slurm_submit_python
 
 
 @pytest.mark.parametrize("py_file_path", [None, "path/to/file.py"])
@@ -27,7 +27,7 @@ def test_slurm_submit(capsys: CaptureFixture[str], py_file_path: str | None) ->
 
     # check slurm_submit_python() prints cmd and calls subprocess.run() in submit mode
     with pytest.raises(SystemExit), patch("sys.argv", ["slurm-submit"]), patch(
-        "mb_discovery.slurm.subprocess.run"
+        "matbench_discovery.slurm.subprocess.run"
     ) as mock_subprocess_run:
         slurm_submit_python(**kwargs)  # type: ignore
 

Original file line number	Diff line number	Diff line change
`@@ -11,7 +11,7 @@`
`11`	`11`	`Entry,`
`12`	`12`	`)`
`13`	`13`
`14`		`-from mb_discovery.energy import get_e_form_per_atom, get_elemental_ref_entries`
	`14`	`+from matbench_discovery.energy import get_e_form_per_atom, get_elemental_ref_entries`
`15`	`15`
`16`	`16`	`dummy_struct = Structure(`
`17`	`17`	`lattice=Lattice.cubic(5),`