[Hot Fix] Fix setuptools for pymatgen packaging (materialsproject#3934)

Author: DanielYang59

pyproject.toml

@@ -131,9 +131,12 @@ feff_plot_cross_section = "pymatgen.cli.feff_plot_cross_section:main"
 feff_plot_dos = "pymatgen.cli.feff_plot_dos:main"
 get_environment = "pymatgen.cli.get_environment:main"
 
+[tool.setuptools]
+include-package-data = false
+
 [tool.setuptools.packages.find]
 where = ["src"]
-include = ["pymatgen"]
+include = ["pymatgen", "pymatgen.*"]
 
 [tool.setuptools.package-data]
 "pymatgen.analysis" = ["*.yaml", "*.json", "*.csv"]

tests/core/test_structure.py

@@ -1768,7 +1768,6 @@ def test_relax_ase_opt_kwargs(self):
         assert traj[0] != traj[-1]
         assert os.path.isfile(traj_file)
 
-    @pytest.mark.skip("TODO remove skip once https://github.com/materialsvirtuallab/matgl/issues/238 is resolved")
     def test_calculate_m3gnet(self):
         pytest.importorskip("matgl")
         calculator = self.get_structure("Si").calculate()
@@ -1780,7 +1779,6 @@ def test_calculate_m3gnet(self):
         assert np.linalg.norm(calculator.results["forces"]) == approx(7.8123485e-06, abs=0.2)
         assert np.linalg.norm(calculator.results["stress"]) == approx(1.7861567, abs=2)
 
-    @pytest.mark.skip("TODO remove skip once https://github.com/materialsvirtuallab/matgl/issues/238 is resolved")
     def test_relax_m3gnet(self):
         matgl = pytest.importorskip("matgl")
         struct = self.get_structure("Si")
@@ -1791,7 +1789,6 @@ def test_relax_m3gnet(self):
             actual = relaxed.dynamics[key]
             assert actual == val, f"expected {key} to be {val}, {actual=}"
 
-    @pytest.mark.skip("TODO remove skip once https://github.com/materialsvirtuallab/matgl/issues/238 is resolved")
     def test_relax_m3gnet_fixed_lattice(self):
         matgl = pytest.importorskip("matgl")
         struct = self.get_structure("Si")
@@ -1800,7 +1797,6 @@ def test_relax_m3gnet_fixed_lattice(self):
         assert isinstance(relaxed.calc, matgl.ext.ase.M3GNetCalculator)
         assert relaxed.dynamics["optimizer"] == "BFGS"
 
-    @pytest.mark.skip("TODO remove skip once https://github.com/materialsvirtuallab/matgl/issues/238 is resolved")
     def test_relax_m3gnet_with_traj(self):
         pytest.importorskip("matgl")
         struct = self.get_structure("Si")
@@ -2406,8 +2402,6 @@ def test_relax_ase_mol_return_traj(self):
         assert traj[0] != traj[-1]
         assert os.path.isfile(traj_file)
 
-    # TODO remove skip once https://github.com/tblite/tblite/issues/110 is fixed
-    @pytest.mark.skip("Pytorch and TBLite clash. https://github.com/materialsproject/pymatgen/pull/3060")
     def test_calculate_gfnxtb(self):
         pytest.importorskip("tblite")
         mol_copy = self.mol.copy()