Rename math to mathutils (issue #23)

Now the imports are not broken
lcmd-epfl · Apr 12, 2024 · d051565 · d051565
1 parent 61d3c3b
commit d051565
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Showing 12 changed files with 6 additions and 6 deletions.
diff --git a/qstack/__init__.py b/qstack/__init__.py
@@ -7,5 +7,5 @@
 from qstack import basis_opt
 from qstack import spahm
 from qstack import regression
-from qstack import math
+from qstack import mathutils
 from qstack import orcaio
diff --git a/qstack/math/__init__.py → qstack/mathutils/__init__.py b/qstack/math/__init__.py → qstack/mathutils/__init__.py
diff --git a/qstack/math/fps.py → qstack/mathutils/fps.py b/qstack/math/fps.py → qstack/mathutils/fps.py
diff --git a/qstack/math/matrix.py → qstack/mathutils/matrix.py b/qstack/math/matrix.py → qstack/mathutils/matrix.py
diff --git a/qstack/math/wigner.py → qstack/mathutils/wigner.py b/qstack/math/wigner.py → qstack/mathutils/wigner.py
diff --git a/qstack/math/xyz_integrals_float.py → qstack/mathutils/xyz_integrals_float.py b/qstack/math/xyz_integrals_float.py → qstack/mathutils/xyz_integrals_float.py
diff --git a/qstack/math/xyz_integrals_sym.py → qstack/mathutils/xyz_integrals_sym.py b/qstack/math/xyz_integrals_sym.py → qstack/mathutils/xyz_integrals_sym.py
diff --git a/qstack/orcaio.py b/qstack/orcaio.py
@@ -1,5 +1,5 @@
 import numpy as np
-from qstack.math.matrix import from_tril
+from qstack.mathutils.matrix import from_tril
 from qstack.tools import reorder_ao
 
 def read_density(mol, basename, directory='./', version=500, openshell=False, reorder_dest='pyscf'):

diff --git a/qstack/regression/hyperparameters.py b/qstack/regression/hyperparameters.py
@@ -6,7 +6,7 @@
 from sklearn.model_selection import train_test_split, KFold
 from qstack.regression.kernel_utils import get_kernel, defaults, ParseKwargs
 from qstack.tools import correct_num_threads
-from qstack.math.fps import do_fps
+from qstack.mathutils.fps import do_fps
 
 def hyperparameters(X, y,
            sigma=defaults.sigmaarr, eta=defaults.etaarr, gkernel=defaults.gkernel, gdict=defaults.gdict,

diff --git a/qstack/regression/regression.py b/qstack/regression/regression.py
@@ -5,7 +5,7 @@
 from sklearn.model_selection import train_test_split
 from qstack.regression.kernel_utils import get_kernel, defaults, ParseKwargs
 from qstack.tools import correct_num_threads
-from qstack.math.fps import do_fps
+from qstack.mathutils.fps import do_fps
 
 
 def regression(X, y, read_kernel=False, sigma=defaults.sigma, eta=defaults.eta,

diff --git a/qstack/spahm/rho/sym.py b/qstack/spahm/rho/sym.py
@@ -3,7 +3,7 @@
 import numpy as np
 from pyscf import gto, data
 from qstack import compound
-from qstack.math.matrix import sqrtm
+from qstack.mathutils.matrix import sqrtm
 
 
 def idxl0(i, l, ao):

diff --git a/tests/test_reorder.py b/tests/test_reorder.py
@@ -4,7 +4,7 @@
 import numpy as np
 from qstack import compound, tools
 from qstack.fields.decomposition import decompose
-from qstack.math.matrix import from_tril
+from qstack.mathutils.matrix import from_tril
 
 
 def test_reorder_pyscf_gpr():