Openfermion

Latest version: v1.7.0

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1.7.0

OpenFermion version 1.7.0 has been released. This new version contains new features, bug fixes, many dependency library updates, and overall repository upkeep. It's available from GitHub (https://github.com/quantumlib/OpenFermion) and PyPI (https://pypi.org/project/openfermion).

Compatibility notice

This release specifies updated versions of most Python packages and tools that OpenFermion depends upon, such as [Cirq](https://github.com/quantumlib/Cirq), and also raises the minimum version of Python needed to 3.10. These updates allow OpenFermion to keep pace with advancements in the Python ecosystem as well as get the latest bug fixes and improvements in its package dependencies.

If you encounter significant version conflicts with your environment or other Python packages that you need to use in conjunction with OpenFermion, please [open an issue on GitHub](https://github.com/quantumlib/openfermion/issues) and let us know.

What's Changed

New feature additions

* Make JAX config updates and expose `penalty_param` by cvsik in https://github.com/quantumlib/OpenFermion/pull/894
* Add `MajoranaOperator` supports operation with numbers, by snow0369 in https://github.com/quantumlib/OpenFermion/pull/868
* Include `.h5` data files in `resource_estimates/integrals` as part of the installation, by mhucka in https://github.com/quantumlib/OpenFermion/pull/968

Other changes

* Fix doc generation, by dstrain115 in https://github.com/quantumlib/OpenFermion/pull/869
* Remove `cirq_google`, by dstrain115 in https://github.com/quantumlib/OpenFermion/pull/871
* Fix comparison in `freeze_orbitals`, by aleksey-uvarov in https://github.com/quantumlib/OpenFermion/pull/898
* Minor typo in `projects.md`, by vtomole in https://github.com/quantumlib/OpenFermion/pull/902
* Update the link to Nielsen's notes., by vtomole in https://github.com/quantumlib/OpenFermion/pull/903
* Update CI worfklow actions & fix minor bug, by mhucka in https://github.com/quantumlib/OpenFermion/pull/909
* Add security policy statement, by mhucka in https://github.com/quantumlib/OpenFermion/pull/913
* Enhance CI workflows, by mhucka in https://github.com/quantumlib/OpenFermion/pull/914
* Fix nightly CI workflow failures, by mhucka in https://github.com/quantumlib/OpenFermion/pull/915
* Add Code of Conduct and `SUPPORT.md` files, by mhucka in https://github.com/quantumlib/OpenFermion/pull/916
* Modularize workflow & find working os/arch/python combos, by mhucka in https://github.com/quantumlib/OpenFermion/pull/917
* Use local reference to workflow path, by mhucka in https://github.com/quantumlib/OpenFermion/pull/919
* Add `.zenodo.json` file, by mhucka in https://github.com/quantumlib/OpenFermion/pull/921
* Split Pytest jobs into separate matrix & results steps, by mhucka in https://github.com/quantumlib/OpenFermion/pull/922
* Update `setup.py` info & add classifiers, keywords, maintainers, by mhucka in https://github.com/quantumlib/OpenFermion/pull/920
* Update versions of dependencies & regenerate envs/*.txt files, by mhucka in https://github.com/quantumlib/OpenFermion/pull/923
* Fix misc minor issues, by mhucka in https://github.com/quantumlib/OpenFermion/pull/933
* Minor enhancements to README file & fix to `setup.py`, by mhucka in https://github.com/quantumlib/OpenFermion/pull/934
* Replace no-longer-available SciPy constructs, by mhucka in https://github.com/quantumlib/OpenFermion/pull/935
* Correct Nick Rubin's affiliation, by mhucka in https://github.com/quantumlib/OpenFermion/pull/937
* Raise SciPy version to 1.15 and update requirements accordingly, by mhucka in https://github.com/quantumlib/OpenFermion/pull/936
* Add testing on Python 3.13 to nightly tests, by mhucka in https://github.com/quantumlib/OpenFermion/pull/938
* Update version of Python used in CI max compat tests, by mhucka in https://github.com/quantumlib/OpenFermion/pull/940
* Add CONTRIBUTING.md file, by mhucka in https://github.com/quantumlib/OpenFermion/pull/941
* Update & enhance packaging scripts, by mhucka in https://github.com/quantumlib/OpenFermion/pull/943
* Remove doc source files from installation, by mhucka in https://github.com/quantumlib/OpenFermion/pull/945
* Add timeouts to jobs, by mhucka in https://github.com/quantumlib/OpenFermion/pull/946
* Improve efficiency by testing if any files changed, by mhucka in https://github.com/quantumlib/OpenFermion/pull/948
* Add YAML file linter, by mhucka in https://github.com/quantumlib/OpenFermion/pull/951
* Add GHA problem-matcher for pylint, by mhucka in https://github.com/quantumlib/OpenFermion/pull/957
* Pin action versions to commit hashes, by mhucka in https://github.com/quantumlib/OpenFermion/pull/959
* Use specific versions of GitHub runners, by mhucka in https://github.com/quantumlib/OpenFermion/pull/960
* Add CITATION.cff file, by mhucka in https://github.com/quantumlib/OpenFermion/pull/966

New Contributors

* snow0369 made their first contribution in https://github.com/quantumlib/OpenFermion/pull/868
* cvsik made their first contribution in https://github.com/quantumlib/OpenFermion/pull/894
* aleksey-uvarov made their first contribution in https://github.com/quantumlib/OpenFermion/pull/898
* mhucka made their first contribution in https://github.com/quantumlib/OpenFermion/pull/909

**Full Changelog**: https://github.com/quantumlib/OpenFermion/compare/v1.6.1...v1.7.0

1.6.1

What's Changed
* Bump requirements by mpharrigan in https://github.com/quantumlib/OpenFermion/pull/854
* Reformat src/openfermion using black formatter. by fdmalone in https://github.com/quantumlib/OpenFermion/pull/846
* Fix pytest deprecation warnings. by fdmalone in https://github.com/quantumlib/OpenFermion/pull/852
* Fix scipy sqrtm precision issue by fdmalone in https://github.com/quantumlib/OpenFermion/pull/864
* Remove limit on cirq by fdmalone in https://github.com/quantumlib/OpenFermion/pull/867


**Full Changelog**: https://github.com/quantumlib/OpenFermion/compare/v1.6.0...v1.6.1

1.6.0

What's Changed
* Fix two openfermion docs by dstrain115 in https://github.com/quantumlib/OpenFermion/pull/795
* Update DropNegligible to cirq.drop_negligible_operations by dstrain115 in https://github.com/quantumlib/OpenFermion/pull/799
* Matrix exponential of sparse matrix is not allowed by dstrain115 in https://github.com/quantumlib/OpenFermion/pull/800
* Fix another expm doc error by dstrain115 in https://github.com/quantumlib/OpenFermion/pull/801
* Change a few more sparse matrices to dense to get docs working by dstrain115 in https://github.com/quantumlib/OpenFermion/pull/802
* Revert dense matrix by dstrain115 in https://github.com/quantumlib/OpenFermion/pull/804
* Fix CI. by fdmalone in https://github.com/quantumlib/OpenFermion/pull/816
* Rename `openfermion/third_party/` to `openfermion/contrib/` by tanujkhattar in https://github.com/quantumlib/OpenFermion/pull/806
* Fixed deprecated import of OptimizeResult by ica574 in https://github.com/quantumlib/OpenFermion/pull/811
* Apply suggestions from CommonTypos checker by pavoljuhas in https://github.com/quantumlib/OpenFermion/pull/817
* Use pip-compile for CI dependencies by mpharrigan in https://github.com/quantumlib/OpenFermion/pull/818
* Enable testing for resource estimates by fdmalone in https://github.com/quantumlib/OpenFermion/pull/828
* Improve runtime type checking in symmetry_conserving_bravyi_kitaev by kwkbtr in https://github.com/quantumlib/OpenFermion/pull/785
* [PBC Resources Estimates 1/4] Add k-point THC factorization by fdmalone in https://github.com/quantumlib/OpenFermion/pull/821
* `freeze_orbitals` reflects the `prune` flag by mafaldaramoa in https://github.com/quantumlib/OpenFermion/pull/803
* [PBC Resources Estimates 2/4] Add Integral Factorization Helpers by fdmalone in https://github.com/quantumlib/OpenFermion/pull/822
* [PBC Resources Estimates 3/4] Add computation of lambda by fdmalone in https://github.com/quantumlib/OpenFermion/pull/823
* [PBC Resources Estimates 4/4] Add costing functions by fdmalone in https://github.com/quantumlib/OpenFermion/pull/824
* Switch to using the black formatter by mpharrigan in https://github.com/quantumlib/OpenFermion/pull/835
* Use docker to pin dependencies by mpharrigan in https://github.com/quantumlib/OpenFermion/pull/829
* Add black pyproject by fdmalone in https://github.com/quantumlib/OpenFermion/pull/847
* Add resource estimates requirements as extras_require. by fdmalone in https://github.com/quantumlib/OpenFermion/pull/841
* Bump version for release. by fdmalone in https://github.com/quantumlib/OpenFermion/pull/848
* Fix setup resource path by fdmalone in https://github.com/quantumlib/OpenFermion/pull/849

New Contributors
* fdmalone made their first contribution in https://github.com/quantumlib/OpenFermion/pull/816
* ica574 made their first contribution in https://github.com/quantumlib/OpenFermion/pull/811
* pavoljuhas made their first contribution in https://github.com/quantumlib/OpenFermion/pull/817
* kwkbtr made their first contribution in https://github.com/quantumlib/OpenFermion/pull/785
* mafaldaramoa made their first contribution in https://github.com/quantumlib/OpenFermion/pull/803

**Full Changelog**: https://github.com/quantumlib/OpenFermion/compare/v1.5.1...v1.6.0

1.5.1

What's Changed
* Resolves failing cirq pre-release by ncrubin in https://github.com/quantumlib/OpenFermion/pull/794


**Full Changelog**: https://github.com/quantumlib/OpenFermion/compare/v1.5.0...v1.5.1

Mainly fixes a issue with using linalg.expm instead of scipy.sparse.linalg.expm such that the right data types are being passed around.

1.5.0

What's Changed
* Fix reference to deprecated SingleQubitGate by dstrain115 in https://github.com/quantumlib/OpenFermion/pull/788
* Making OF compatible with cirq>0.15 by ncrubin in https://github.com/quantumlib/OpenFermion/pull/793


**Full Changelog**: https://github.com/quantumlib/OpenFermion/compare/v1.4.0...v1.5.0

1.4.0

What's Changed
* Reset version to "dev" by mpharrigan in https://github.com/quantumlib/OpenFermion/pull/759
* fault-tolerant resource estimates for chemical hamiltonians by jjgoings in https://github.com/quantumlib/OpenFermion/pull/763
* Fix QuadraticHamiltonian diagonalization by kevinsung in https://github.com/quantumlib/OpenFermion/pull/772
* Reduced BCS type Hamiltonians by cvmxn1 in https://github.com/quantumlib/OpenFermion/pull/770
* Fix cirq coverage test by dstrain115 in https://github.com/quantumlib/OpenFermion/pull/779
* Fix cirq.google reference in docs. by dstrain115 in https://github.com/quantumlib/OpenFermion/pull/778
* Move tutorial from cirq by augustehirth in https://github.com/quantumlib/OpenFermion/pull/783
* DropNegligible was used but is deprecated. by WhiteSymmetry in https://github.com/quantumlib/OpenFermion/pull/781
* Adds a link to the Q-Chem plugin in README by epifanovsky in https://github.com/quantumlib/OpenFermion/pull/784
* Lookup dictionary for JW transformation of a FermionOperator by alexfleury in https://github.com/quantumlib/OpenFermion/pull/777
* Pin Requirements to working cirq versions by ncrubin in https://github.com/quantumlib/OpenFermion/pull/786

New Contributors
* jjgoings made their first contribution in https://github.com/quantumlib/OpenFermion/pull/763
* cvmxn1 made their first contribution in https://github.com/quantumlib/OpenFermion/pull/770
* dstrain115 made their first contribution in https://github.com/quantumlib/OpenFermion/pull/779
* augustehirth made their first contribution in https://github.com/quantumlib/OpenFermion/pull/783
* WhiteSymmetry made their first contribution in https://github.com/quantumlib/OpenFermion/pull/781
* epifanovsky made their first contribution in https://github.com/quantumlib/OpenFermion/pull/784
* alexfleury made their first contribution in https://github.com/quantumlib/OpenFermion/pull/777

**Full Changelog**: https://github.com/quantumlib/OpenFermion/compare/v1.3.0...v1.4.0

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