fix: remove pysisyphus-references; moved boys to testing

Author: eljost

.github/workflows/pythonapp.yaml

@@ -8,7 +8,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: ["3.9", "3.10", "3.11"]
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
 
     steps:
       - uses: actions/checkout@v3

sympleints/cart2sph.py

@@ -17,8 +17,8 @@
 from scipy.special import factorial as fact
 from scipy.special import binom
 
-from pysisyphus.wavefunction.helpers import canonical_order
-from pysisyphus.wavefunction.normalization import get_lmn_factors
+from sympleints.helpers import canonical_order
+from sympleints.testing.normalization import get_lmn_factors
 
 
 ZERO_THRESH = 1e-14

sympleints/graphs/Transform.py

@@ -10,7 +10,7 @@
 from sympleints.graphs.AngMoms import AngMoms, CartAngMom, SphAngMom
 from sympleints.helpers import BFKind, shell_iter
 
-from pysisyphus.wavefunction.cart2sph import expand_sph_quantum_numbers
+from sympleints.cart2sph import expand_sph_quantum_numbers
 
 
 KEY_MAP = {

sympleints/main.py

@@ -1127,7 +1127,8 @@ def parse_args(args):
     )
     parser.add_argument(
         "--boys-func",
-        default="pysisyphus.wavefunction.ints.boys",
+        # default="pysisyphus.wavefunction.ints.boys",
+        default="sympleints.testing.boys",
         help="Which Boys-function to use.",
     )
     parser.add_argument("--normalize", choices=normalization_map.keys(), default="none")

sympleints/boys.py renamed to sympleints/testing/boys.py

@@ -2,7 +2,7 @@
 
 import numpy as np
 
-from sympleints.boys import boys_quad, get_boys_func
+from sympleints.testing.boys import boys_quad, get_boys_func
 
 
 def test_boys(atol=2e-10):