v1.7.0

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, 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 and let us know.

What's Changed

New feature additions

• Make JAX config updates and expose penalty_param by @cvsik in #894
• Add MajoranaOperator supports operation with numbers, by @snow0369 in #868
• Include .h5 data files in resource_estimates/integrals as part of the installation, by @mhucka in #968

Other changes

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

New Contributors

• @snow0369 made their first contribution in #868
• @cvsik made their first contribution in #894
• @aleksey-uvarov made their first contribution in #898
• @mhucka made their first contribution in #909

Full Changelog: v1.6.1...v1.7.0

v1.6.1

What's Changed

• Bump requirements by @mpharrigan in #854
• Reformat src/openfermion using black formatter. by @fdmalone in #846
• Fix pytest deprecation warnings. by @fdmalone in #852
• Fix scipy sqrtm precision issue by @fdmalone in #864
• Remove limit on cirq by @fdmalone in #867

Full Changelog: v1.6.0...v1.6.1

v1.6.0

What's Changed

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

New Contributors

• @fdmalone made their first contribution in #816
• @ica574 made their first contribution in #811
• @pavoljuhas made their first contribution in #817
• @kwkbtr made their first contribution in #785
• @mafaldaramoa made their first contribution in #803

Full Changelog: v1.5.1...v1.6.0

v1.5.1

What's Changed

• Resolves failing cirq pre-release by @ncrubin in #794

Full Changelog: 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.

v1.5.0

What's Changed

• Fix reference to deprecated SingleQubitGate by @dstrain115 in #788
• Making OF compatible with cirq>0.15 by @ncrubin in #793

Full Changelog: v1.4.0...v1.5.0

v1.4.0

What's Changed

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

New Contributors

• @jjgoings made their first contribution in #763
• @cvmxn1 made their first contribution in #770
• @dstrain115 made their first contribution in #779
• @augustehirth made their first contribution in #783
• @WhiteSymmetry made their first contribution in #781
• @epifanovsky made their first contribution in #784
• @alexfleury made their first contribution in #777

Full Changelog: v1.3.0...v1.4.0

v1.3.0

OpenFermion 1.3 is an incremental update with some fixes and improvements (see below). Crucially, we have moved from pinning to a specific version of Cirq to having a minimum supported version of Cirq (0.12 for this release).

Changes

• Implement Bravyi-Kitaev for InteractionOperator (#753)
• Fix unexpected behavior of symmetry_conserving_bravyi_kitaev (#734)
• Revamp CI: matrix, multi-Cirq (#755)

v1.2.0

Upgrade cirq compatibility.

What's Changed

• [Docs] Format math expressions by @rmlarose in #738
• Adding mention of OpenFermion-FQE to the frontpage by @babbush in #740
• Added functionality to compute one-norm of qubit/majorana Hamiltonian from molecular integrals by @Emieeel in #725
• Updates linux CI to use 18.04 by @MichaelBroughton in #747
• Updates fqe include path for site rendering by @MichaelBroughton in #746
• Upgrade to cirq 0.12 by @tanujkhattar in #748
• Version bump by @ncrubin in #749

New Contributors

• @tanujkhattar made their first contribution in #748

Full Changelog: v1.1.0...v1.2.0

v1.1.0

levels up to cirq 0.11

v1.0.1

Creating official release from March 6th v1.0.1 release of OpenFermion associated with commit ( c22551f).