tequila-basic 1.9.9__tar.gz → 1.9.10__tar.gz

{tequila_basic-1.9.9/src/tequila_basic.egg-info → tequila_basic-1.9.10}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: tequila-basic
-Version: 1.9.9
+Version: 1.9.10
 Summary: A High-Level Abstraction Framework for Quantum Algorithms
 Home-page: https://github.com/tequilahub/tequila
 Author: Tequila Developers 
@@ -36,7 +36,8 @@ Tequila can execute the underlying quantum expectation values on state of the ar
 # Getting Started
 
 Get started with our collection of  
-- *[Tutorials](https://tequilahub.github.io/tequila-tutorials/)*  
+- *[Tutorials](https://tequilahub.github.io/tequila-tutorials/)*
+- *[Documentation](https://tequilahub.github.io/tequila-tutorials/docs/sphinx/)*  
 
 Further sources:
 - [overview article](https://arxiv.org/abs/2011.03057)   
@@ -44,8 +45,8 @@ Further sources:
 - [talks and slides](https://kottmanj.github.io/talks_and_material/)  
 
 # Installation
-Recommended Python version is 3.9 (3.10).   
-Tequila supports linux, osx and windows. However, not all optional dependencies are supported on windows.  
+Recommended Python version is 3.10 (3.11).   
+Tequila supports linux, osx and windows. However, not all optional dependencies (especially chemistry) are supported on windows.  
 
 ## Install from PyPi
 **Do not** install like this: (Minecraft lovers excluded)
@@ -56,7 +57,7 @@ You can install tequila from PyPi as:
 pip install tequila-basic
 ```
 this will install tequila with all essential dependencies.
-We recommend to install some fast quantum backends, like qulacs or qibo, as well.
+We recommend to install some fast quantum backends, like qulacs, as well.
 Those can be installed before or after you install tequila.
 ```bash
 # install basic tequila
@@ -157,7 +158,7 @@ print("VQE : {:+2.8}f".format(result.energy))
 print("FCI : {:+2.8}f".format(fci))
 ```
 
-Do you want to create your own methods? Check out the [tutorials](https://github.com/tequilahub/tequila-tutorials)!
+Do you want to create your own methods? Check out the [tutorials]([https://github.com/tequilahub/tequila-tutorials](https://tequilahub.github.io/tequila-tutorials/))!
 
 # Some Research projects using Tequila
 J.S. Kottmann, A. Anand, A. Aspuru-Guzik.  
@@ -322,12 +323,7 @@ pip install pyscf
 Works similar as Psi4. Classical methods are also integrated in the madness interface allowing to use them in a basis-set-free representation.
 
 # Documentation
-You can build the documentation by navigating to `docs` and entering `make html`.
-Open the documentation with a browser over like `firefox docs/build/html/index.html`
-Note that you will need some additional python packages like `sphinx` and `mr2` that are not explicitly listed in the requirements.txt
-
-You can also visit our prebuild online [documentation](https://tequilahub.github.io/tequila/)
-that will correspond to the github master branch
+see [here](https://tequilahub.github.io/tequila-tutorials/docs/sphinx/)  
 
 # How to contribute
 If you find any bugs or inconveniences in `tequila` please don't be shy and let us know.
@@ -339,9 +335,11 @@ Here is how that works:
 1. Make a fork of `tequila` to your own github account.
 2. Checkout the `devel` branch and make sure it is up to date with the main [github repository](https://github.com/aspuru-guzik-group/tequila).
 3. Create and checkout a new branch from `devel` via `git branch pr-my-branch-name` followed by `git checkout pr-my-branch-name`. By typing `git branch` afterwards you can check which branch is currently checked out on your computer.
-4. Introduce changes to the code and commit them with git.
-5. Push the changes to *your* github account
-6. Log into github and create a pull request to the main [github repository](https://github.com/aspuru-guzik-group/tequila). The pull-request should be directed to the `devel` branch (but we can also change that afterwards).
+4. Introduce changes to the code.
+5. Format your code using [Ruff](https://github.com/astral-sh/ruff).
+  You can install Ruff with `pip install ruff`, then run the formatter with `ruff format` and the linter with `ruff check` (most IDEs also provide a way of integrating Ruff and doing this automatically).
+6. Commit them with git and push the changes to *your* github account
+7. Log into github and create a pull request to the main [github repository](https://github.com/aspuru-guzik-group/tequila). The pull-request should be directed to the `devel` branch (but we can also change that afterwards).
 
 If you plan to introduce major changes to the base library it can be beneficial to contact us first.
 This way we might be able to avoid conflicts before they arise.
@@ -409,4 +407,3 @@ They can be installed for example over visual studio.
 Tequila runs on Mac OSX.
 You might get in trouble with installing qulacs since it currently does not work with Apple's clang compiler.
 You need to install latest GNU compile (at least gcc-7 and g++7) and set them as default before installing qulacs over pip.
-

{tequila_basic-1.9.9 → tequila_basic-1.9.10}/README.md

@@ -9,7 +9,8 @@ Tequila can execute the underlying quantum expectation values on state of the ar
 # Getting Started
 
 Get started with our collection of  
-- *[Tutorials](https://tequilahub.github.io/tequila-tutorials/)*  
+- *[Tutorials](https://tequilahub.github.io/tequila-tutorials/)*
+- *[Documentation](https://tequilahub.github.io/tequila-tutorials/docs/sphinx/)*  
 
 Further sources:
 - [overview article](https://arxiv.org/abs/2011.03057)   
@@ -17,8 +18,8 @@ Further sources:
 - [talks and slides](https://kottmanj.github.io/talks_and_material/)  
 
 # Installation
-Recommended Python version is 3.9 (3.10).   
-Tequila supports linux, osx and windows. However, not all optional dependencies are supported on windows.  
+Recommended Python version is 3.10 (3.11).   
+Tequila supports linux, osx and windows. However, not all optional dependencies (especially chemistry) are supported on windows.  
 
 ## Install from PyPi
 **Do not** install like this: (Minecraft lovers excluded)
@@ -29,7 +30,7 @@ You can install tequila from PyPi as:
 pip install tequila-basic
 ```
 this will install tequila with all essential dependencies.
-We recommend to install some fast quantum backends, like qulacs or qibo, as well.
+We recommend to install some fast quantum backends, like qulacs, as well.
 Those can be installed before or after you install tequila.
 ```bash
 # install basic tequila
@@ -130,7 +131,7 @@ print("VQE : {:+2.8}f".format(result.energy))
 print("FCI : {:+2.8}f".format(fci))
 ```
 
-Do you want to create your own methods? Check out the [tutorials](https://github.com/tequilahub/tequila-tutorials)!
+Do you want to create your own methods? Check out the [tutorials]([https://github.com/tequilahub/tequila-tutorials](https://tequilahub.github.io/tequila-tutorials/))!
 
 # Some Research projects using Tequila
 J.S. Kottmann, A. Anand, A. Aspuru-Guzik.  
@@ -295,12 +296,7 @@ pip install pyscf
 Works similar as Psi4. Classical methods are also integrated in the madness interface allowing to use them in a basis-set-free representation.
 
 # Documentation
-You can build the documentation by navigating to `docs` and entering `make html`.
-Open the documentation with a browser over like `firefox docs/build/html/index.html`
-Note that you will need some additional python packages like `sphinx` and `mr2` that are not explicitly listed in the requirements.txt
-
-You can also visit our prebuild online [documentation](https://tequilahub.github.io/tequila/)
-that will correspond to the github master branch
+see [here](https://tequilahub.github.io/tequila-tutorials/docs/sphinx/)  
 
 # How to contribute
 If you find any bugs or inconveniences in `tequila` please don't be shy and let us know.
@@ -312,9 +308,11 @@ Here is how that works:
 1. Make a fork of `tequila` to your own github account.
 2. Checkout the `devel` branch and make sure it is up to date with the main [github repository](https://github.com/aspuru-guzik-group/tequila).
 3. Create and checkout a new branch from `devel` via `git branch pr-my-branch-name` followed by `git checkout pr-my-branch-name`. By typing `git branch` afterwards you can check which branch is currently checked out on your computer.
-4. Introduce changes to the code and commit them with git.
-5. Push the changes to *your* github account
-6. Log into github and create a pull request to the main [github repository](https://github.com/aspuru-guzik-group/tequila). The pull-request should be directed to the `devel` branch (but we can also change that afterwards).
+4. Introduce changes to the code.
+5. Format your code using [Ruff](https://github.com/astral-sh/ruff).
+  You can install Ruff with `pip install ruff`, then run the formatter with `ruff format` and the linter with `ruff check` (most IDEs also provide a way of integrating Ruff and doing this automatically).
+6. Commit them with git and push the changes to *your* github account
+7. Log into github and create a pull request to the main [github repository](https://github.com/aspuru-guzik-group/tequila). The pull-request should be directed to the `devel` branch (but we can also change that afterwards).
 
 If you plan to introduce major changes to the base library it can be beneficial to contact us first.
 This way we might be able to avoid conflicts before they arise.
@@ -382,4 +380,3 @@ They can be installed for example over visual studio.
 Tequila runs on Mac OSX.
 You might get in trouble with installing qulacs since it currently does not work with Apple's clang compiler.
 You need to install latest GNU compile (at least gcc-7 and g++7) and set them as default before installing qulacs over pip.
-

{tequila_basic-1.9.9 → tequila_basic-1.9.10}/requirements.txt

@@ -18,6 +18,8 @@ openfermion ~= 1.0 # can not be smaller than 1.0
 #pyquil<3.0 # you also need to install the forest-sdk
 ##qulacs-gpu # you can't have #qulacs and #qulacs-gpu at the same time
 #qibo <= 0.1.1 # can not be installed in the same environment as gpyopt
+#quimb
+#mqt.ddsim == 2.0.0b2  # requires qiskit < 2
 
 #optional optimizers
 #gpyopt # not in combination with qibo as quantum backend

{tequila_basic-1.9.9 → tequila_basic-1.9.10}/setup.py

@@ -4,55 +4,52 @@ import sys
 
 # on Windows: remove jax and jaxlib from requirements.txt and add autgrad
 
+
 def read_requirements(fname):
-    with open('requirements.txt') as file:
-        lines=file.readlines()
+    with open("requirements.txt") as file:
+        lines = file.readlines()
         requirements = [line.strip() for line in lines]
     return requirements
 
+
 # get author and version information
-VERSIONFILE="src/tequila/version.py"
-info = {"__version__":None, "__author__":None}
+VERSIONFILE = "src/tequila/version.py"
+info = {"__version__": None, "__author__": None}
 with open(VERSIONFILE, "r") as f:
     for l in f.readlines():
         tmp = l.split("=")
         if tmp[0].strip().lower() in info:
-            info[tmp[0].strip().lower()] = tmp[1].strip().strip("\"").strip("\'")
+            info[tmp[0].strip().lower()] = tmp[1].strip().strip('"').strip("'")
 
-for k,v in info.items():
+for k, v in info.items():
     if v is None:
-        raise Exception("could not find {} string in {}".format(k,VERSIONFILE))
+        raise Exception("could not find {} string in {}".format(k, VERSIONFILE))
 
-extras_3_6 = ['dataclasses']
+extras_3_6 = ["dataclasses"]
 extras_3_7 = []
 additional = []
 
-requirements = read_requirements('requirements.txt')
+requirements = read_requirements("requirements.txt")
 
 try:
     with open("README.md", "r") as f:
-        long_description=f.read()
-except:
-    long_description=""
+        long_description = f.read()
+except Exception:
+    long_description = ""
 
 setup(
-    name='tequila-basic',
+    name="tequila-basic",
     version=info["__version__"],
     author=info["__author__"],
     url="https://github.com/tequilahub/tequila",
     description="A High-Level Abstraction Framework for Quantum Algorithms",
-    author_email='jakob.kottmann@gmail.com',
+    author_email="jakob.kottmann@gmail.com",
     long_description=long_description,
     long_description_content_type="text/markdown",
     install_requires=requirements + additional,
-    extras_require={
-        ':python_version < "3.7"': extras_3_6,
-        ':python_version == "3.7"': extras_3_7
-    },
-    packages=find_packages(where='src'),
-    package_dir={'': 'src'},
+    extras_require={':python_version < "3.7"': extras_3_6, ':python_version == "3.7"': extras_3_7},
+    packages=find_packages(where="src"),
+    package_dir={"": "src"},
     include_package_data=True,
-    package_data={
-        '': [os.path.join('src')]
-    }
+    package_data={"": [os.path.join("src")]},
 )

{tequila_basic-1.9.9 → tequila_basic-1.9.10}/src/tequila/__init__.py

@@ -1,25 +1,37 @@
 from tequila.utils import BitString, BitNumbering, BitStringLSB, initialize_bitstring, TequilaException, TequilaWarning
 from tequila.circuit import gates, QCircuit, NoiseModel, compile_circuit, CircuitCompiler
 from tequila.hamiltonian import paulis, QubitHamiltonian, PauliString
-from tequila.objective import Objective, VectorObjective,\
-    ExpectationValue, Variable, assign_variable, format_variable_dictionary,\
-    vectorize
+from tequila.objective import (
+    Objective,
+    VectorObjective,
+    ExpectationValue,
+    Variable,
+    assign_variable,
+    format_variable_dictionary,
+    vectorize,
+)
 from tequila.objective import QTensor
 from tequila.objective.braket import BraKet, make_transition, make_overlap, Overlap, Fidelity
 
-# backward compatibility
-braket = BraKet
-
 from tequila.optimizers import INSTALLED_OPTIMIZERS, show_available_optimizers
 from tequila.optimizers import minimize, minimize_scipy, minimize_gd, optimizer_scipy
 
-from tequila.simulators.simulator_api import simulate, compile, compile_to_function, draw, pick_backend, \
-    INSTALLED_SAMPLERS, \
-    INSTALLED_SIMULATORS, SUPPORTED_BACKENDS, INSTALLED_BACKENDS, show_available_simulators
+from tequila.simulators.simulator_api import (
+    simulate,
+    compile,
+    compile_to_function,
+    draw,
+    pick_backend,
+    INSTALLED_SAMPLERS,
+    INSTALLED_SIMULATORS,
+    SUPPORTED_BACKENDS,
+    INSTALLED_BACKENDS,
+    show_available_simulators,
+)
 from tequila.wavefunction import QubitWaveFunction
 from tequila.circuit.qasm import export_open_qasm, import_open_qasm, import_open_qasm_from_file
 from tequila.circuit.pyzx import convert_to_pyzx, convert_from_pyzx
-import tequila.quantumchemistry as chemistry # shortcut
+import tequila.quantumchemistry as chemistry  # shortcut
 from tequila.quantumchemistry import Molecule, MoleculeFromOpenFermion, MoleculeFromTequila
 
 # make sure to use the jax/autograd numpy for objectives
@@ -32,11 +44,14 @@ from tequila.tools.random_generators import make_random_circuit, make_random_ham
 # get rid of the jax GPU/CPU warnings
 import warnings
 
-warnings.filterwarnings("ignore", module="jax")
-warnings.filterwarnings("ignore", module="absl")
-warnings.filterwarnings("default", category=TequilaWarning)
-
 # load applications and helpers
 from tequila.apps import adapt
 
 from .version import __version__, __author__
+
+# backward compatibility
+braket = BraKet
+
+warnings.filterwarnings("ignore", module="jax")
+warnings.filterwarnings("ignore", module="absl")
+warnings.filterwarnings("default", category=TequilaWarning)

{tequila_basic-1.9.9 → tequila_basic-1.9.10}/src/tequila/apps/__init__.py

@@ -3,7 +3,8 @@ from tequila.apps.unary_state_prep import UnaryStatePrep
 from tequila.apps import adapt
 from tequila.apps import krylov
 
-def gem(circuits:list, H, variables:dict=None, *args, **kwargs):
+
+def gem(circuits: list, H, variables: dict = None, *args, **kwargs):
     """
     Solve the generalized eigenvalue equation: HC = ESC
     with matries Hij = <i|H|j>, Sij = <i|j> and states |i> = U[i]|00...0> generated by the circuits given
@@ -24,13 +25,21 @@ def gem(circuits:list, H, variables:dict=None, *args, **kwargs):
     ----------
     a tuple of eigenenergies E and eigenvectors C in the same format as numpy.linalg.eigh
     """
-    
+
     varnames = sum([U.extract_variables() for U in circuits], [])
     if len(varnames) > 0:
         if variables is None:
-            raise TequilaException("GEM method: no variables dictionary given, but circuits have {} variables:\n{}".format(len(varnames),str(varnames)))
+            raise TequilaException(
+                "GEM method: no variables dictionary given, but circuits have {} variables:\n{}".format(
+                    len(varnames), str(varnames)
+                )
+            )
         for k in varnames:
             if k not in variables:
-                raise TequilaException("GEM method: you gave a parametrized circuit, but the variable {} was not set in the variables dictionary".format(k))
+                raise TequilaException(
+                    "GEM method: you gave a parametrized circuit, but the variable {} was not set in the variables dictionary".format(
+                        k
+                    )
+                )
 
-    return krylov.krylov_method(krylov_circs=circuits,H=H,variables=variables) 
+    return krylov.krylov_method(krylov_circs=circuits, H=H, variables=variables)