sopy-quantum 2.0.0__tar.gz → 2.0.3__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (28) hide show
  1. {sopy_quantum-2.0.0/sopy_quantum.egg-info → sopy_quantum-2.0.3}/PKG-INFO +2 -2
  2. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/README.md +1 -1
  3. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/pyproject.toml +1 -1
  4. sopy_quantum-2.0.3/sopy/pyscf/__init__.py +26 -0
  5. sopy_quantum-2.0.3/sopy/tensorly/__init__.py +26 -0
  6. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy/vector/vector.py +1 -1
  7. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3/sopy_quantum.egg-info}/PKG-INFO +2 -2
  8. sopy_quantum-2.0.0/sopy/pyscf/__init__.py +0 -16
  9. sopy_quantum-2.0.0/sopy/tensorly/__init__.py +0 -15
  10. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/LICENSE.txt +0 -0
  11. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/setup.cfg +0 -0
  12. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy/__init__.py +0 -0
  13. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy/amplitude/__init__.py +0 -0
  14. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy/amplitude/amplitude.py +0 -0
  15. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy/component/__init__.py +0 -0
  16. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy/component/component.py +0 -0
  17. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy/component/momentum.py +0 -0
  18. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy/pyscf/ext.py +0 -0
  19. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy/tensorly/ext.py +0 -0
  20. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy/vector/__init__.py +0 -0
  21. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy/vector/operand.py +0 -0
  22. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy_quantum.egg-info/SOURCES.txt +0 -0
  23. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy_quantum.egg-info/dependency_links.txt +0 -0
  24. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy_quantum.egg-info/requires.txt +0 -0
  25. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/sopy_quantum.egg-info/top_level.txt +0 -0
  26. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/tests/test_als.py +0 -0
  27. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/tests/test_overlaps_1.py +0 -0
  28. {sopy_quantum-2.0.0 → sopy_quantum-2.0.3}/tests/test_overlaps_2.py +0 -0
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: sopy-quantum
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- Version: 2.0.0
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+ Version: 2.0.3
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  Summary: Representation and Decomposition with Sums of Product for Operations in separated dimensions. Now using bandlimit place data on lattice.
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  Author-email: Jonathan Jerke <jonathan@quantumgalaxies.org>
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  License-Expression: MIT
@@ -112,7 +112,7 @@ Get the Euclidean distance from vector v-k and q
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  Reduce v with Fibonacci procedure
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- v.Fibonacci(ambiguity_rate=0.1).dist(v)
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+ v.Fibonacci(ambiguity_rate=0).dist(v)
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  The ambiguity rate will keep things real under recursive iterations driven by external programs.
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@@ -88,7 +88,7 @@ Get the Euclidean distance from vector v-k and q
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  Reduce v with Fibonacci procedure
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- v.Fibonacci(ambiguity_rate=0.1).dist(v)
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+ v.Fibonacci(ambiguity_rate=0).dist(v)
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  The ambiguity rate will keep things real under recursive iterations driven by external programs.
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@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
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  [project]
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  name = "sopy-quantum"
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- version = "2.0.0"
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+ version = "2.0.3"
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  authors = [
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  { name="Jonathan Jerke", email="jonathan@quantumgalaxies.org" },
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  ]
@@ -0,0 +1,26 @@
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+ # A generic stub that covers all the required extras for this module
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+ def _missing_ext_stub(*args, **kwargs):
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+ raise ImportError(
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+ "This feature requires additional optional dependencies (pyscf, numpy, pandas). "
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+ "Please install them using: pip install sopy-quantum[pyscf]"
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+ # Update the bracket tag above if you named the group something else!
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+ )
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+
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+ try:
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+ from .ext import get_orbital, get_basis, tabulate, rotation_matrix_from_euler
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+
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+ except ImportError as e:
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+ # Check if the error is caused by ANY of the missing optional packages
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+ error_msg = str(e).lower()
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+ known_extras = ['pyscf', 'numpy', 'pandas',]
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+
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+ if any(pkg in error_msg for pkg in known_extras):
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+ get_orbital = _missing_ext_stub
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+ get_basis = _missing_ext_stub
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+ tabulate = _missing_ext_stub
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+ rotation_matrix_from_euler = _missing_ext_stub
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+ else:
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+ # If the import failed for a completely different reason (e.g., a typo in .ext), raise it
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+ raise e
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+
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+ __all__ = ['get_orbital', 'get_basis', 'tabulate', 'rotation_matrix_from_euler']
@@ -0,0 +1,26 @@
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+ # A generic stub that covers all the required extras for this module
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+ def _missing_ext_stub(*args, **kwargs):
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+ raise ImportError(
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+ "This feature requires additional optional dependencies (pyscf, numpy, pandas). "
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+ "Please install them using: pip install sopy-quantum[pyscf]"
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+ # Update the bracket tag above if you named the group something else!
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+ )
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+
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+ try:
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+ from .ext import reduce, image
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+
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+ except ImportError as e:
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+ # Check if the error is caused by ANY of the missing optional packages
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+ error_msg = str(e).lower()
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+ known_extras = ['tensorly']
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+
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+ if any(pkg in error_msg for pkg in known_extras):
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+ get_orbital = _missing_ext_stub
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+ get_basis = _missing_ext_stub
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+ tabulate = _missing_ext_stub
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+ rotation_matrix_from_euler = _missing_ext_stub
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+ else:
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+ # If the import failed for a completely different reason (e.g., a typo in .ext), raise it
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+ raise e
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+
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+ __all__ = ['reduce','image']
@@ -124,7 +124,7 @@ class Vector :
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  for d in self.dims(True):
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  content += [rank.components[d].normalize()]
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  new = Vector()
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- new.components = [content]
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+ new.components = content
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  ranks += new
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  return ranks
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@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: sopy-quantum
3
- Version: 2.0.0
3
+ Version: 2.0.3
4
4
  Summary: Representation and Decomposition with Sums of Product for Operations in separated dimensions. Now using bandlimit place data on lattice.
5
5
  Author-email: Jonathan Jerke <jonathan@quantumgalaxies.org>
6
6
  License-Expression: MIT
@@ -112,7 +112,7 @@ Get the Euclidean distance from vector v-k and q
112
112
 
113
113
  Reduce v with Fibonacci procedure
114
114
 
115
- v.Fibonacci(ambiguity_rate=0.1).dist(v)
115
+ v.Fibonacci(ambiguity_rate=0).dist(v)
116
116
 
117
117
  The ambiguity rate will keep things real under recursive iterations driven by external programs.
118
118
 
@@ -1,16 +0,0 @@
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- try:
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- from .ext import get_orbital
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- from .ext import get_basis
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- from .ext import tabulate
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- from .ext import rotation_matrix_from_euler
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-
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- __all__ = ['get_orbital', 'get_basis', 'tabulate', 'rotation_matrix_from_euler']
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-
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- except ImportError as e:
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- if 'pyscf' in str(e):
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- raise ImportError(
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- "Missing optional dependency 'pyscf'. "
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- "Please install it using: pip install sopy[pyscf]"
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- ) from e
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- else:
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- raise e
@@ -1,15 +0,0 @@
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- try:
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- from .ext import reduce
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- from .ext import image
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- __all__ = ['reduce', 'image']
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-
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- except ImportError as e:
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- # Check if the error is actually because 'tensorly' is missing
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- # (and not some other syntax error in your code)
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- if 'tensorly' in str(e) or 'tensorflow' in str(e):
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- raise ImportError(
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- "Missing optional dependency 'tensorly'. "
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- "Please install it using: pip install sopy[tensorly]"
13
- ) from e
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- else:
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- raise e
File without changes
File without changes