Sourmash

Latest version: v4.8.12

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4.4.2

Minor fixes and performance improvements:

* circumvent a very slow `MinHash.remove_many(...)` call in `sourmash gather` (2123)

Developer updates:

* substantial refactoring of `CounterGather` and related `Index` code. (2116)
* update `Index` protocol tests to include tests for `peek` and `consume` (2111)
* Bump pypa/cibuildwheel from 2.7.0 to 2.8.0 (2118)
* test insert after downsample for LCA_Database (2117)
* update release notes & pyproject.toml after v4.4.1 (2114)

4.4.1

Major new features:

* less stringent size accuracy parameters for ANI accuracy reporting (2074)
* only skip dist est if containment/jaccard are 0 or 1 (2060)
* emit fewer warnings about potential ANI estimation issues (2061)

Minor new features:

* fix `lca summarize` to support general collections for queries (2107)
* add compare --avg-containment (2056)

Documentation updates:

* fix search and gather docs (2105)
* fix `CITATION.cff` YAML and add a test for parseability and content. (2103)

Developer updates:

* move setup.cfg into pyproject.toml (2097)
* Fix downsample_scaled in `core` (2108)
* add picklist tests; support for allow_empty (2106)
* remove LazyLoadedIndex (2104)
* Bump web-sys from 0.3.57 to 0.3.58 (2092)
* Bump getrandom from 0.2.6 to 0.2.7 (2090)
* Bump wasm-bindgen-test from 0.3.30 to 0.3.31 (2093)
* Bump pypa/cibuildwheel from 2.6.1 to 2.7.0 (2089)
* Build: nix updates (2088)
* CI: split wheel building (2087)
* rust version bumps (2086)
* Update sphinx requirement from <5,>=4.4.0 to >=4.4.0,<6 (2068)
* Bump actions/setup-python from 3 to 4 (2080)
* Bump myst-parser from 0.17.2 to 0.18.0 (2081)
* Bump pypa/cibuildwheel from 2.5.0 to 2.6.1 (2079)
* remove unnecessary `object` from `class` definitions (2077)

4.4.0

This release contains many new features! Of particular note:
* sourmash now estimates and outputs average nucleotide identity (ANI) based on k-mer measures;
* `sourmash sketch translate` is no longer unusably slow;
* we provide Mac OS 'arm64' wheels for the new M1 Macs;
* we've added a number of support features for managing large collections of signatures and building very large databases;
* and we've added support for SQLite databases that can be used for storing and searching signatures and doing Kraken-style LCA analysis of genomes and metagenomes.

In addition, we have built updated Genbank genome databases (with contents from March 2022) as well as GTDB R07-RS207 databases; see [the prepared databases page](https://sourmash.readthedocs.io/en/latest/databases.html). We've also made some benchmarks available for these databases, so you can get some idea of the necessary computational resources for your searches.

Last but by no means least, we have begun providing a number of examples and recipes for using sourmash - see the new [sourmash examples](https://sourmash-bio.github.io/sourmash-examples/) Web site!

---

Major new features:

* add ANI output to search, prefetch, and gather (1934, 1952, 1955, 1966, 1967, 2011, 2031, 2032)
* new GTDB and Genbank database releases (2013, 2038)
* provide macos arm64 wheels (1935)
* support for SQLite databases (1808)
* implement `sourmash sketch fromfile` (1884, 1885, 1886, 2009)
* add `sourmash sig check` for comparing picklists and databases (1907, 1915, 1917)
* add `sig collect` command (2036) for building standalone manifests from many databases
* Add direct loading of manifest CSVs as sourmash indices (1891)
* add `-A/--abundance-from` to `sig subtract` & add `sig inflate` (1889)
* advanced database format documentation (2025)

Minor new features:

* add `-d/--debug` to `sourmash sig describe`; upgrade output errors. (1782)
* add `sum_hashes` to `sourmash sig describe` output. (1882)

Bug fixes:

* catch TypeError in search w/abund vs flat at the command line (1928)
* speed up `SeqToHashes` `translate` (1938, 1946)

Cleanup and documentation fixes:

* better handle some pickfile errors (1924)
* remove unnecessary downsampling warnings (1971)
* use same wording for dayhoff/hp as for dna/protein (1929)
* rename `covered_bp` property to better reflect function (2050)

Developer updates:

* provide "protocol" tests for `Index`, `CollectionManifest`, and `LCA_Database` classes (1936)
* remove khmer CI tests (1950)
* Benchmarks for seq_to_hashes in protein mode (1944)
* add some tests for Jaccard output ordering (1926)
* Oxidize ZipStorage (1909)
* cleanup and commenting of `test_index.py` tests. (1898, 1900)
* rationalize `_signatures_with_internal` (1896)
* Convert nix to flakes (1904)
* fix docs build (1897)
* Fix build/CI and unused imports papercuts (1974)
* fix hypothesis CI (2028)
* dependabot version updates (1977, 1978, 1979, 1980, 1981, 1982, 1983, 1984, 1985, 1986, 1987, 1988, 1989, 1991, 1993, 1994, 1995, 1996, 1997, 1998, 2017, 2019, 2020, 2021, 2022, 2023, 2042)

4.3.0

New features:

* add `sourmash sig grep` (1864)
* add `sourmash sig summarize` (1837, 1863)
* add `--include-db-pattern` and `--exclude-db-pattern` to many commands (1871)
* update lca summarize output to output total counts (1838)

Bug fixes:

* fix `sourmash prefetch` to work when db scaled is larger than query scaled (1870)
* fix `sourmash prefetch` for multiple ksizes in database (1866)
* allow missing columns in tax CSV files (1869)
* fix containment calculation for nodegraphs (1862)
* fix `tax prepare` SQL code for empty/blank taxonomic ranks (1843)

Cleanup and documentation fixes:
* clean up 'describe' a little bit, add a test (1861)
* add --output-dir as alias for every --outdir (1817)
* fix doc titles in `command-line.md` and update description a bit (1874)

Developer updates:

* move greyhound-core into sourmash (1238)
* drop Python 3.7, default most of CI to Python 3.10 (1839)
* reorganize traits for easier wasm and native compilation (1836)
* update asv to newly released version (1834)
* pin setuptools < 60 (1879)

4.2.4

Medium bug fixes:

* fix bug where `sourmash sketch ... --singleton -o output.sig` drops signatures (1810)
* fix `sourmash search --containment` with two abund signatures (1780)
* fix plot/labels/CSV ordering with `sourmash plot --csv` (1821)

Small bug fixes:

* fix `Index.search_abund` downsampling and filename output (1820)
* check to make sure that .zip files exist before trying to load from them (1777)
* fix and test and refactor output information during signature creation (1826)

Minor new functionality:

* adjust text output of gather to indicate weighted/unweighted results (1819)
* update `sourmash multigather` to save hash abundances to `.unassigned.sig` (1720)
* re-inflate prefetch output sketches (1827)

Cleanup and documentation fixes:

* fix 'sketch' output info (1794)
* fix PMID for mock metagenome (1811)
* check to make sure that = is in param strings where necessary (1775)

Developer updates:

* set pickfile on SourmashPicklist.load (1776)
* Fix new clippy lints in beta (1.59, next stable) (1791)
* Rust updates (clippy, MSRV, CI, wasm-pack) (1786)
* disable the `fix_lint` component of the py38 tests in `tox.ini` (1823)

4.2.3

Minor new features:

* Save prefetch csv directly from prefetch-gather with `--save-prefetch-csv` (1765)
* Added brief descriptions and `-h/--help` text to sourmash `gather`, `search`, and `compare` (1735)
* Adding bounds checking for `--scaled` and `--num` in `sourmash sketch` (1711)

Documentation updates:

* update release notes with -m for git tag (1754)
* update coverage from 10x to 20x per description in documentation page (1736)

Development updates:

* Update tests to use `runtmp` fixture instead of `utils.TempDirectory()` (1718)
* Refactor `ZipFileLinearCollection` and `SaveSignatures_ZipFile` to use `ZipStorage` (1598)
* Clippy fixes for 1.57 beta (1760)
* CI: Update cibuildwheel usage (1759)
* Replace `notify` format usage with f-strings instead (1723)
* CI: Fix build errors with cbindgen (1713)
* Change `sourmash compute` to `sourmash sketch` in test files (1712)
* Update tests to use `runtmp` fixture instead of `utils.TempDirectory()`

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