Files fixed for various examples. (#69)

* add back `eigenvalues.npy` files in example/silicon/data * update notebook for example silicon * update `eigenvalues.npy` for example/hBN * update files for tests/test_sktb * update `pyproject.toml`
deepmodeling · Mar 10, 2024 · 559525b · 559525b
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Showing 12 changed files with 3 additions and 2 deletions.
diff --git a/dptb/tests/data/test_sktb/dataset/kpath_spk.0/eigenvalues.npy b/dptb/tests/data/test_sktb/dataset/kpath_spk.0/eigenvalues.npy
diff --git a/dptb/tests/data/test_sktb/dataset/kpath_spk.0/kpoints.npy b/dptb/tests/data/test_sktb/dataset/kpath_spk.0/kpoints.npy
diff --git a/dptb/tests/data/test_sktb/dataset/kpath_spk.0/xdat.traj b/dptb/tests/data/test_sktb/dataset/kpath_spk.0/xdat.traj
diff --git a/dptb/tests/data/test_sktb/dataset/kpathmd25.0/eigenvalues.npy b/dptb/tests/data/test_sktb/dataset/kpathmd25.0/eigenvalues.npy
diff --git a/dptb/tests/data/test_sktb/dataset/kpathmd25.0/kpoints.npy b/dptb/tests/data/test_sktb/dataset/kpathmd25.0/kpoints.npy
diff --git a/dptb/tests/data/test_sktb/dataset/kpathmd25.0/xdat.traj b/dptb/tests/data/test_sktb/dataset/kpathmd25.0/xdat.traj
diff --git a/examples/hBN/data/kpath.0/eigenvalues.npy b/examples/hBN/data/kpath.0/eigenvalues.npy
diff --git a/examples/silicon/data/kpath.0/eigenvalues.npy b/examples/silicon/data/kpath.0/eigenvalues.npy
diff --git a/examples/silicon/data/kpath_spk.0/eigenvalues.npy b/examples/silicon/data/kpath_spk.0/eigenvalues.npy
diff --git a/examples/silicon/data/kpt.0/eigs.npy → examples/silicon/data/kpt.0/eigenvalues.npy b/examples/silicon/data/kpt.0/eigs.npy → examples/silicon/data/kpt.0/eigenvalues.npy
diff --git a/examples/silicon/silicon.ipynb b/examples/silicon/silicon.ipynb
diff --git a/pyproject.toml b/pyproject.toml
@@ -41,6 +41,7 @@ future = "*"
 dargs = "0.3.3"
 xitorch = "0.3.0"
 fmm3dpy = "1.0.0"
+e3nn = ">=0.5.1"
 
 
 [tool.poetry.group.3Dfermi]
@@ -67,7 +68,7 @@ build-backend = "poetry_dynamic_versioning.backend"
 
 
 [tool.poetry-dynamic-versioning]
-enable = true
+enable = false
 vcs = "git"
 strict = true
 format-jinja = """