fulqrum 0.4.2__tar.gz

fulqrum-0.4.2/LICENSE.txt

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fulqrum-0.4.2/MANIFEST.in

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+include LICENSE.txt
+include README.md
+include requirements.txt
+recursive-include fulqrum *.pxi
+recursive-include fulqrum *.pxd
+recursive-include fulqrum *.pyx
+recursive-include fulqrum/core/src *.hpp
+recursive-include fulqrum/test/data *.json
+recursive-include fulqrum/include *.hpp
+recursive-include fulqrum/core/src/external *.hpp
+recursive-include fulqrum/core/src/external *.h
+recursive-include qiskit-addon-sqd-hpc/include *.hpp

fulqrum-0.4.2/PKG-INFO

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+Metadata-Version: 2.4
+Name: fulqrum
+Version: 0.4.2
+Requires-Python: >=3.10
+License-File: LICENSE.txt
+Requires-Dist: cython>=3.0.5
+Requires-Dist: numpy>=2.0
+Requires-Dist: orjson
+Requires-Dist: psutil
+Requires-Dist: scipy>=1.14.1
+Dynamic: license-file
+Dynamic: requires-dist

fulqrum-0.4.2/README.md

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+
+![fulqrum_logo](./docs/images/fulqrum_logo.png)
+
+
+# Fulqrum
+
+A generalized framework for quantum subspace eigensolving.
+
+Fulqrum is a set of tools for enabling the solution to large-scale Hamiltonian subspace eigenproblems over extended alphabets.  Fulqrum was designed specifically with the goals of: (1) Providing a unified code base for solving both spin and fermionic systems. (2) Working for arbitrary numbers of qubits. (3) Reducing memory consumption, as compared to existing methods. And finally, (4) Decoupling operator construction from eigensolving itself.  In addition to satisfying these goals, Fulqrum is performant, and beats other eigensolvers in terms of total runtime.
+
+In addition to eigensolving itself, Fulqrum provides tools for generating compact subspaces that yield accurate solutions while potentially  using orders of magnitude fewer bit-strings than standard quantum subspace methods alone.
+
+
+## Documentation
+
+Development docs: https://qiskit-community.github.io/fulqrum/dev/
+
+
+## Installation
+
+
+### Requirements
+
+Outside of standard Python packages Fulqrum requires some Boost headers and OpenMP 3+.
+
+Required Boost header files are included in the ``third-party/boost`` directory, and therefore, no explicit installation of Boost is needed.
+
+### Git submodule
+
+Fulqrum uses [`qiskit-addon-sqd-hpc`](https://github.com/Qiskit/qiskit-addon-sqd-hpc) as a Git submodule. Therefore, we can do either of the following to get actual and required files from that repo:
+
+Clone Fulqrum with `--recurse-submodules` flag, and it will also clone files from the submodule.
+```bash
+git clone --recurse-submodules https://github.com/qiskit-community/fulqrum.git
+```
+
+OR
+
+After cloning Fulqrum normally, do a submodule update.
+```bash
+git clone https://github.com/qiskit-community/fulqrum.git
+cd fulqrum
+git submodule update --init --recursive
+```
+
+### Building files locally
+
+In order to run the unittests locally, it is only necessary to build the Cython files inplace:
+
+```bash
+python setup.py build_ext --inplace
+```
+you can add also use env flags such as `CC=clang CXX=clang++` or set the target architecture using `FQ_ARCH=znver4` (or whatever you have)
+
+### Installation on Linux
+
+Installation on Linux is simple:
+
+```bash
+pip install .
+```
+
+### Installation on OSX
+
+On OSX, to get OpenMP, one should install llvm using homebrew:
+
+```bash
+brew install llvm
+```
+and the following, or something similar, added to the users `.zshrc` file:
+
+```bash
+export PATH="/opt/homebrew/opt/llvm/bin:$PATH"
+export LDFLAGS="-L/opt/homebrew/opt/llvm/lib"
+export CPPFLAGS="-I/opt/homebrew/opt/llvm/include"
+```
+
+Then installation of Fulqrum with openmp can be accomplished using a call like:
+
+```bash
+CC=clang CXX=clang++ pip install .
+```
+
+### Parallel build
+
+You can turn on parallel compilation by setting the environment variable
+`FQ_BUILD_PARALLEL=<num threads>`, which can accelerate the build time. Example
+with `8` parallel threads:
+
+```bash
+# OSX
+FQ_BUILD_PARALLEL=8 CC=clang CXX=clang++ pip install .
+
+# Linux
+FQ_BUILD_PARALLEL=8 pip install .
+
+# local
+FQ_BUILD_PARALLEL=8 python setup.py build_ext --inplace
+```
+
+### Runtime performance tuning
+
+The type-2 build/matvec scripts (`csrlike_builder2`, `csr2`,
+`matvec2`) allows two optional **runtime** environment variables for tuning. Both have defaults and are read at run time (no rebuild needed), so they are safe to leave unset.
+
+| Variable | Default | Description |
+| --- | --- | --- |
+| `FQ_BLK` | `128` | The number of rows in a block of rows. FQ_BLK number of rows reuses a chunk of group_ladder_ptrs. Larger blocks give more reuse but risk overflowing the per-core cache; smaller blocks reduce reuse. `128` is a good middle ground. Values `<= 0` are ignored. |
+| `FQ_LADDER_WIDTH` | `2` | Number of ladder bits used to bucket each group's terms, giving `2^FQ_LADDER_WIDTH` bins per group (so `2` → 4 bins, `4` → 16 bins). |
+
+Both variables tune the speed only. They change no result.
+
+Example: run a workload with a larger row block and finer ladder bucketing:
+
+```bash
+FQ_BLK=256 FQ_LADDER_WIDTH=4 python your_workload.py
+```
+
+## Running benchmarks
+
+See the README.md in the `benchmarks` directory.
+
+
+## Notes on `Subspace` input format
+
+Two modes of input to subspace is supported:
+1. **Half-string mode:** In this mode, the input `subspace_strs` to the `Subspace()` is a length-2
+`tuple[list[str], list[str]]`, where the first element represents _alpha_ strings, and the second
+one represents _beta_ strings. Internally, `fulqrum` will sort each list and perform a Cartesian product between the two lists to construct the full subspace. A full bitstring will be represented by `beta half str + alpha half str`, and the final length of subspace bitstring will be `len(beta half string) + len(alpha half string)`. For example, `[['100', '001, '010'], ['110', '000']]` is a valid input `subspace_strs` in half-string mode. The final subspace size will be `2 * 3 = 6`, with each bitstrings with `3 + 3 = 6` characters/bits. This mode is useful for chemistry applications. For instance, many popular chemistry packages such as PySCF takes alpha and beta strings separately and extends the subspace by taking Cartesian product. This mode enables PySCF-like functionality and keeps the memory requirement in check.
+
+2. **Full-string mode:** In this mode, `subspace_strs` has to be length-1 `tuple[list[str]]`. In this mode, no Cartesian product is taken internally, and the supplied _full_ bitstrings are used as is after sorting.
+
+**Note:** There is no special flag to denote half-string vs. full-string mode. `Fulqrum` will compute the length of the input `subspace_strs` and detect half-string or full-string mode automatically to construct the subspace. If `subspace_strs` has a different length other than 1 or 2 or its element(s) is not `list[str]`, it will throw an `TypeError`.

fulqrum-0.4.2/benchmarks/__init__.py

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+# This code is a Qiskit project.
+#
+# (C) Copyright IBM 2024.
+#
+# This code is licensed under the Apache License, Version 2.0. You may
+# obtain a copy of this license in the LICENSE.txt file in the root directory
+# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
+#
+# Any modifications or derivative works of this code must retain this
+# copyright notice, and modified files need to carry a notice indicating
+# that they have been altered from the originals.
+import os
+
+os.environ["OPENBLAS_NUM_THREADS"] = "1"
+from .config import Configuration
+
+__all__ = ["Configuration"]

fulqrum-0.4.2/benchmarks/config.py

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+# This code is a Qiskit project.
+#
+# (C) Copyright IBM 2024.
+#
+# This code is licensed under the Apache License, Version 2.0. You may
+# obtain a copy of this license in the LICENSE.txt file in the root directory
+# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
+#
+# Any modifications or derivative works of this code must retain this
+# copyright notice, and modified files need to carry a notice indicating
+# that they have been altered from the originals.
+
+
+"""Utils for reading a config file"""
+
+import configparser
+import os
+from ast import literal_eval
+
+DEFAULT_FILENAME = os.path.abspath(
+    os.path.join(os.path.dirname(__file__), "default.conf")
+)
+
+
+class FulqrumConfig:
+    """Class representing a user config file
+
+    The config file format should be in a form that looks like
+    """
+
+    def __init__(self, filename=None):
+        """Create a FulqrumConfig
+
+        Args:
+            filename (str): The path to the user config file. If one isn't
+                specified the `default.config` file in the parent dir is used
+        """
+        if filename is None:
+            self.filename = DEFAULT_FILENAME
+        else:
+            self.filename = filename
+        self.options = {}
+        self.config_parser = configparser.ConfigParser()
+        # read file
+        self.config_parser.read(self.filename)
+        for sec in self.config_parser.sections():
+            self.options[sec] = {}
+            for item in list(self.config_parser.items(sec)):
+                self.options[sec][item[0]] = literal_eval(item[1])
+
+
+Configuration = FulqrumConfig()

fulqrum-0.4.2/benchmarks/conftest.py

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+# This code is a Qiskit project.
+#
+# (C) Copyright IBM 2024.
+#
+# This code is licensed under the Apache License, Version 2.0. You may
+# obtain a copy of this license in the LICENSE.txt file in the root directory
+# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
+#
+# Any modifications or derivative works of this code must retain this
+# copyright notice, and modified files need to carry a notice indicating
+# that they have been altered from the originals.
+# conftest.py
+import time
+import numpy
+import scipy
+import pytest
+import fulqrum
+from packaging.version import parse
+
+
+# function executed right after test items collected but before test run
+def pytest_collection_modifyitems(config, items):
+    if not config.getoption("-m"):
+        skip_me = pytest.mark.skip(reason="use `-m long` to run this test")
+        for item in items:
+            if "long" in item.keywords:
+                item.add_marker(skip_me)
+
+
+def pytest_benchmark_update_json(config, benchmarks, output_json):
+    """Adds custom sections to the pytest-benchmark report"""
+    reporter = config.pluginmanager.get_plugin("terminalreporter")
+
+    # 8.4.0 changed the internal attribute and type that session start
+    # is recorded at. There does not seem to be a public api for it on
+    # the terminal reporter so this lets us support both 8.4.0 or older
+    # versions
+    pytest_version = parse(pytest.__version__)
+    if pytest_version.release >= (8, 4, 0):
+        output_json["total_duration"] = time.time() - reporter._session_start.time
+    else:
+        output_json["total_duration"] = time.time() - reporter._sessionstarttime
+
+    output_json["env_info"] = {
+        "fulqrum": str(fulqrum.__version__),
+        "numpy": str(numpy.__version__),
+        "scipy": str(scipy.__version__),
+    }

fulqrum-0.4.2/fulqrum/__init__.py

@@ -0,0 +1,56 @@
+# This code is a part of Fulqrum.
+#
+# (C) Copyright IBM 2024.
+#
+# This code is licensed under the Apache License, Version 2.0. You may
+# obtain a copy of this license in the LICENSE.txt file in the root directory
+# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
+#
+# Any modifications or derivative works of this code must retain this
+# copyright notice, and modified files need to carry a notice indicating
+# that they have been altered from the originals.
+
+"""Fulqrum"""
+
+__version__ = "0.4.2"
+
+
+from .core import (
+    QubitOperator,
+    Subspace,
+    SubspaceHamiltonian,
+    FermionicOperator,
+    Bitset,
+)
+
+import fulqrum.core.constants as constants
+
+__all__ = [
+    "QubitOperator",
+    "Subspace",
+    "SubspaceHamiltonian",
+    "FermionicOperator",
+    "Bitset",
+    "constants",
+]
+
+
+def about():
+    """About Fulqrum"""
+    print("")
+    print("███████ ██    ██ ██       ██████  ██████  ██    ██   ████    ████")
+    print("██      ██    ██ ██      ██    ██ ██   ██ ██    ██  ██  ██  ██  ██")
+    print("█████   ██    ██ ██      ██    ██ ██████  ██    ██ ██    ████    ██")
+    print("██      ██    ██ ██      ██ ▄▄ ██ ██   ██ ██    ██ ██    ████    ██")
+    print("██       ██████  ███████  ██████  ██   ██  ██████  ██    ████    ██")
+    print("")
+    print("(C) Copyright IBM 2024")
+    print("Paul D. Nation, Abdullah Saki, and Hwajung Kang")
+    print(f"Fulqrum version: {__version__}")
+
+
+def get_include():
+    import os
+
+    dir_path = os.path.dirname(os.path.realpath(__file__))
+    return dir_path + os.sep + "include"

fulqrum-0.4.2/fulqrum/convert/__init__.py

@@ -0,0 +1,32 @@
+# This code is a part of Fulqrum.
+#
+# (C) Copyright IBM 2024.
+#
+# This code is licensed under the Apache License, Version 2.0. You may
+# obtain a copy of this license in the LICENSE.txt file in the root directory
+# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
+#
+# Any modifications or derivative works of this code must retain this
+# copyright notice, and modified files need to carry a notice indicating
+# that they have been altered from the originals.
+
+"""Conversion utilities"""
+
+from .openfermion import (
+    openfermion_fermi_op_to_fulqrum,
+    openfermion_qubit_op_to_fulqrum,
+)
+from .qiskit import (
+    sparsepauli_to_fulqrum,
+    qiskit_nature_fermi_op_to_fulqrum,
+)
+from .integrals import integrals_to_fq_fermionic_op, fcidump_to_fq_fermionic_op
+
+__all__ = [
+    "openfermion_fermi_op_to_fulqrum",
+    "openfermion_qubit_op_to_fulqrum",
+    "sparsepauli_to_fulqrum",
+    "qiskit_nature_fermi_op_to_fulqrum",
+    "integrals_to_fq_fermionic_op",
+    "fcidump_to_fq_fermionic_op",
+]