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MRG: update #2065 (uniquify CSV output from multigather) #2721

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@ctb ctb commented Aug 19, 2023

Note: PR into #2065.

This PR updates #2065 with all the changes from latest. This includes the fix & update to multigather in #2322, which:

  • fixes the output of multigather to include more than one line 😆
  • prints out the output filename
  • supports --output-dir

No functional changes are made beyond the merge, so some tests are still failing; will discuss fixes in yet a new PR :).

ctb and others added 30 commits August 3, 2022 05:53
* Initial commit

* Added cat command details

* Added describe command details

* Downsample details failing

* Added downsample command details

* Added export command details

* Added extract command details

* Added filter command details

* Added flatten command details

* Added intersect command details

* Added kmers command details

* Added merge command details

* Added overlap command details

* Added rename command details

* Added split command details

* Added subtract command details

* fix #2070

* minor updates

Co-authored-by: C. Titus Brown <[email protected]>
* Initial commit

* Added cat command details

* Added describe command details

* Downsample details failing

* Added downsample command details

* Added export command details

* Added extract command details

* Added filter command details

* Added flatten command details

* Added intersect command details

* Added kmers command details

* Added merge command details

* Added overlap command details

* Added rename command details

* Added split command details

* Added subtract command details

* trial cleanup of sourmash sig cat usage

* merge

* fix sig split usage string

* Update src/sourmash/cli/sig/intersect.py

Co-authored-by: ccbaumler <[email protected]>

Co-authored-by: keyabarve <[email protected]>
Co-authored-by: ccbaumler <[email protected]>
* fix notification message about query scaled

* fix tests
…omies (#2178)

* add basics of sourmash tax grep command

* initial implementation

* fixed bug; added various args

* more tests

* support gzipped taxonomy files

* let 'prepare' save gzip csv files, too

* switch to outputting lineage; refactor

* fix and test invert match

* more tests

* add --count

* comment

* upd docs

* add test for tax prepare combining

* test multiple, duplicate tax

* finish? tests

* implement --force

* update usage string

* Update doc/command-line.md

Co-authored-by: Tessa Pierce Ward <[email protected]>

Co-authored-by: Tessa Pierce Ward <[email protected]>
* add FileInputCSV

* support zipfile taxonommies

* rename 'default_zip_name' to 'default_csvname'

* hack in support for CSVs with version info

* more tests, support for ZipFile objs being passed in

* sourmash sketch now accepts gzipped CSV files

* picklists can now be gzipped

* sig check now supports gz input file

* add test for sig check with gz picklist

* add delimiter support

* update comment

* fix comment

* update comment

* update comment

* remove SOURMASH-TAXONOMY.csv

* add explicit tests for FileOutputCSV

* add gzip output tests for compare, plot, gather

* change prefetch to use FileOutputCSV

* fix gather --save-prefetch-csv to use FileOutputCSV

* fix manifests to read/write gzip

* add test for sig describe -o csv.gz

* more test
* remove unnecessary exit checks

* add fail-on-empty; adjust notify output

* update tests

* more argparse foo

* re-add sys exit

* construct empty db when invalid

* be ok with databases with no pcklist matches

* add fail-on-empty to search and multigather

* adjust prefetch reporting, too

* add test for new output from prefetch

* simplify unnecessary code

* remove more unnecessary

* fix argparse foo, add test for search --no-fail-on-empty-database

* add test for sourmash gather --no-fail

* remove debug

* more tests

* even more test
* adjust search output to include threshold

* add docs, fix tests

* Apply suggestions from code review

thanks!

Co-authored-by: ccbaumler <[email protected]>

* Update doc/command-line.md

Co-authored-by: ccbaumler <[email protected]>

Co-authored-by: ccbaumler <[email protected]>
Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from 2.8.1 to 2.9.0.
- [Release notes](https://github.com/pypa/cibuildwheel/releases)
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---
updated-dependencies:
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  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <[email protected]>

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Co-authored-by: C. Titus Brown <[email protected]>
* update links to static rmd

* try fix links

* use full paths

* punctuation typo

Co-authored-by: C. Titus Brown <[email protected]>
…`runtmp` fixture instead of `utils.TempDirectory()` (#1739)

* Initial commit

* Fixed test

* Removed comments

* Made requested modification

* Removed commented code

* Made requested changes

* minor fix

Co-authored-by: C. Titus Brown <[email protected]>
* added angus tutorial to docs

* update tutorial

* fix images in tutorial-long.md

Co-authored-by: C. Titus Brown <[email protected]>
* try switching rtd to using mamba

* remove python version?

* bump CI

* bump up ubuntu version, too
…ation (#2215)

* fix? containment direction

* fix numbers

* sketchcomparison tests pass 🎉

* update; tests pass

* update docs with containment and ANI info

* add asymmetric test for prefetch containment ANI

* add test for search asymmetry

* fix spacing :)

* do specific compare test

* Update doc/command-line.md

Co-authored-by: Tessa Pierce Ward <[email protected]>

Co-authored-by: Tessa Pierce Ward <[email protected]>
* fix? containment direction

* fix numbers

* sketchcomparison tests pass 🎉

* update; tests pass

* update docs with containment and ANI info

* add asymmetric test for prefetch containment ANI

* add test for search asymmetry

* fix spacing :)

* do specific compare test

* add --distance-matrix to compare

* minor refactoring/cleanup/commenting of tests

* add distance test; minor test refactoring

* test refactoring

* more test refactoring

* add another --distance test

* add one more test

* update command line docs

* rename matrix to 'matrix' in compare, to reduce confusion

* Update doc/command-line.md

Co-authored-by: Tessa Pierce Ward <[email protected]>

Co-authored-by: Tessa Pierce Ward <[email protected]>
* add kreport output format to tax metagenome

* better fn info

* rm change not for this pr

* upd description

* add kreport to docs
* tests pass

* try out into_mutable and into_frozen

* use into_mutable/into_frozen

* use a context manager for into_*

* comment/doc, fix most tests

* fix totally foreseeable bug from use of dangerous mutate()

* remove dangerous to_mutable()

* slight refactoring

* clean up after merge

* some more fixes

* more fixes

* cleanup

* add some tests, and docs

* hmm.

* clean up
* use argparse extend for better list arg handling

* mult tax file tests

* testy tests

* implement force in loading

* add some more tests

* add test for 'extend' in metagenome -g arg

* mark places to test

* add tests for argparse extend to tax annotate

* add test for tax prepare

* add tests for tax grep

* add tests for tax genome

Co-authored-by: C. Titus Brown <[email protected]>
…tiple gather files (#2244)

* do not allow same query in mult gather files

* do allow us to load non-duplicated queries from this csv

* fail instead of ignore
* add bf to ani containment calculations

* write bf a diff way

* debiased containment

* basic tests for debiased containment mh fns

* constrain debiased containment

* Update src/sourmash/minhash.py

Co-authored-by: C. Titus Brown <[email protected]>

Co-authored-by: C. Titus Brown <[email protected]>
* add orig_query_sum_abunds column

* initial addition of n_weighted_found and sum_weighted_hashes

* ok, three columns

* more better

* remove redundant total_abund

* add total_weighted_hashes to SummarizedGatherResult

* catch missing total_weighted_hashes

* update kreport output

* fix the things

* fix final tests for scaled=2000

* Update src/sourmash/tax/tax_utils.py

Co-authored-by: Tessa Pierce Ward <[email protected]>

Co-authored-by: Tessa Pierce Ward <[email protected]>
#2265)

* add tests to reproduce bug #2262

* fix in __getstate__ rather than __setstate__

* add hp and dayhoff tests

* fix comment
…2251)

* check query_abundance when gather --ignore-abund is set

* check values for flat query
* replace chernoff bounds with exact probabilities

* fix failing tests (though there are some depreciation warnings that
aren't showing up) #2268 #2267
* version bumps for Rust dependencies
* flake updates
dependabot bot and others added 22 commits July 19, 2023 12:13
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The rs214 links are broken for the LCA files, small fix to point to the
correct URL folder; the URLs for the rs214 LCA DBs did not get updated
in the update of the table for those links.

Currently the DBs in the LCA column of the table are 404ed.

https://sourmash.readthedocs.io/en/latest/databases.html#gtdb-r08-rs214-genomic-representatives-85k

Once the items above are done, and all checks pass, request a review!
Bumps [serde_json](https://github.com/serde-rs/json) from 1.0.103 to
1.0.104.
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<blockquote>
<h2>v1.0.104</h2>
<ul>
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Release 1.0.104</li>
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from ZetaNumbers/value-ref-into-deserializer</li>
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Implement IntoDeserializer for &amp;Value</li>
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Delete inline attributes throughout test suite</li>
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Bumps
[supercharge/redis-github-action](https://github.com/supercharge/redis-github-action)
from 1.5.0 to 1.6.0.
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- 2023-07-27</h2>
<h3>Added</h3>
<ul>
<li>add <code>redis-remove-container</code> option adding the
<code>--rm</code> flag to the resulting <code>docker run … --rm</code>
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prepare changelog for 1.6.0</li>
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update versions</li>
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Add option to remove container when it exits</li>
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Bumps [tempfile](https://github.com/Stebalien/tempfile) from 3.7.0 to
3.7.1.
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This PR adds `-E/--extension` to `sourmash sig split`, so that you can
do (for example)
```
sourmash sig split -E .sig.gz database.zip
```
and get a bunch of `.sig.gz` files instead of a bunch of `.sig` files.

Addresses #2703
This PR updates `test_standalone_manifest_signatures_prefix_fail` to use
`runtmp.out(...)` for a directory that's not supposed to exist; the test
was failing on my laptop because the directory used in the test _did_
exist on my laptop 😄
Fixes #2684

This PR adds a function that creates an `args` object for a particular
sourmash command - so that you can do something like this:
```python
import sourmash.commands, sourmash.cli

# create args object:
args = sourmash.cli.parse_args(['plot', 'cmp'])

# run 'sourmash plot'
sourmash.commands.plot(args)
```

For convenience, this PR also makes all of the `sourmash sig` functions
available in Python via `sourmash.sig.<fn>`.
)

This PR adds support for argparse `usage` and `epilog` strings, as well
as `formatter_class`, per [argparse
docs](https://docs.python.org/3/library/argparse.html#argparse.ArgumentParser).

See
sourmash-bio/sourmash_plugin_template@cb5d454
for general use in plugins, and
ctb/sourmash_plugin_commonhash@3fbb4d2
for an example use in commonhash.

This means that e.g. commonhash now supports pleasing output for both
bad usage and `-h` flag -
```
sourmash scripts commonhash    
usage: 
   sourmash scripts commonhash [ -m 2 ] *.sig.gz -o filtered.zip
 commonhash: error: the following arguments are required: sigfiles, -o/--output
```

and
```
== This is sourmash version 4.8.3.dev0. ==
== Please cite Brown and Irber (2016), doi:10.21105/joss.00027. ==

usage: 
   sourmash scripts commonhash [ -m 2 ] *.sig.gz -o filtered.zip

filter hashes by min occurrence across sketches

Reduce 'noise' in Jaccard comparisons of sequencing data by removing
hashes that are present in only a few sketches.

'commonhash' supports the full range of sourmash sketch output formats [1].

[1] https://sourmash.readthedocs.io/en/latest/command-line.html#choosing-signature-output-formats

---

positional arguments:
  sigfiles              input signatures

options:
  -h, --help            show this help message and exit
  -q, --quiet           suppress non-error output
  -d, --debug           provide debugging output
  -k KSIZE, --ksize KSIZE
                        select this k-mer size
  -o OUTPUT, --output OUTPUT
                        save sketches to this location; e.g. output.zip or ./output/
  -m MIN_SAMPLES, --min-samples MIN_SAMPLES
                        a hash must be in this many samples to be retained

See https://github.com/ctb/sourmash_plugin_commonhash for more examples.

Need help? Have questions? Ask at https://github.com/sourmash/issues!
```
Bumps [log](https://github.com/rust-lang/log) from 0.4.19 to 0.4.20.
<details>
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<blockquote>
<h2>[0.4.20] - 2023-07-11</h2>
<ul>
<li>Remove rustversion dev-dependency by <a
href="https://github.com/Thomasdezeeuw"><code>@​Thomasdezeeuw</code></a>
in <a
href="https://github.com/rust-lang/log/pull/568">rust-lang/log#568</a></li>
<li>Remove <code>local_inner_macros</code> usage by <a
href="https://github.com/EFanZh"><code>@​EFanZh</code></a> in <a
href="https://github.com/rust-lang/log/pull/570">rust-lang/log#570</a></li>
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Merge pull request <a
href="https://github.com/rust-lang/log/issues/574">#574</a>
from chrysn-pull-requests/doc-log-to-defmt</li>
<li><a
href="https://github.com/rust-lang/log/commit/6de3cccc3670231edae0b2c86202a002aae65b2d"><code>6de3ccc</code></a>
Merge pull request <a
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from rust-lang/cargo/0.4.20</li>
<li><a
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Merge pull request <a
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from EFanZh/group-target-module-path-and-file</li>
<li><a
href="https://github.com/rust-lang/log/commit/3985711f74bb75a6504c41f6f4b66ad5fd29ef41"><code>3985711</code></a>
Group <code>target</code>, <code>module_path</code> and
<code>file</code> arguments</li>
<li><a
href="https://github.com/rust-lang/log/commit/3f534d00e485ba7f029b9ef348385154e4e51dfd"><code>3f534d0</code></a>
Move private APIs into a single module</li>
<li><a
href="https://github.com/rust-lang/log/commit/f5ab686e9b1ce6962dd4e02d6cc71a1d7ec48ea6"><code>f5ab686</code></a>
doc: Add log-to-defmt to other-facilities section</li>
<li><a
href="https://github.com/rust-lang/log/commit/6d173bf94114f62217349b76bc18ed4340f12586"><code>6d173bf</code></a>
prepare for 0.4.20 release</li>
<li><a
href="https://github.com/rust-lang/log/commit/cab10885defdf445dc730e5a22f67fcec69ca728"><code>cab1088</code></a>
Merge pull request <a
href="https://github.com/rust-lang/log/issues/570">#570</a>
from EFanZh/remove-local-inner-macros</li>
<li><a
href="https://github.com/rust-lang/log/commit/9d052b17d3ddf9b5894740c6d82899c531c789ee"><code>9d052b1</code></a>
Remove <code>local_inner_macros</code> usage</li>
<li><a
href="https://github.com/rust-lang/log/commit/e9123d6d9a62a99771bd33e43a29f67f7811eee0"><code>e9123d6</code></a>
Merge pull request <a
href="https://github.com/rust-lang/log/issues/568">#568</a>
from Thomasdezeeuw/remove-rustversion-dep</li>
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Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from
2.14.1 to 2.15.0.
<details>
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<blockquote>
<h2>v2.15.0</h2>
<ul>
<li>🌟 CPython 3.12 wheels are now built by default - without the
CIBW_PRERELEASE_PYTHONS flag. It's time to build and upload these wheels
to PyPI! This release includes CPython 3.12.0rc1, which is guaranteed to
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<li>✨ Adds musllinux_1_2 support - this allows packagers to build for
musl-based Linux distributions on a more recent Alpine image, and a
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<blockquote>
<h3>v2.15.0</h3>
<p><em>8 August 2023</em></p>
<ul>
<li>🌟 CPython 3.12 wheels are now built by default - without the
CIBW_PRERELEASE_PYTHONS flag. It's time to build and upload these wheels
to PyPI! This release includes CPython 3.12.0rc1, which is guaranteed to
be ABI compatible with the final release. (<a
href="https://github.com/pypa/cibuildwheel/issues/1565">#1565</a>)</li>
<li>✨ Adds musllinux_1_2 support - this allows packagers to build for
musl-based Linux distributions on a more recent Alpine image, and a
newer musl libc. (<a
href="https://github.com/pypa/cibuildwheel/issues/1561">#1561</a>)</li>
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<li><a
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Bump version: v2.15.0</li>
<li><a
href="https://github.com/pypa/cibuildwheel/commit/47e5d3c2cdee9d5324b6abe18c380c5ee33fd8f9"><code>47e5d3c</code></a>
Merge pull request <a
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<li><a
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feat: build using 3.12 RC by default</li>
<li><a
href="https://github.com/pypa/cibuildwheel/commit/df94b5db6769eb8c3abb164caa9ab84c763570da"><code>df94b5d</code></a>
[Bot] Update dependencies (<a
href="https://github.com/pypa/cibuildwheel/issues/1553">#1553</a>)</li>
<li><a
href="https://github.com/pypa/cibuildwheel/commit/36049d86a2e21d74382d84d7a423e20e49a2ca91"><code>36049d8</code></a>
feature: add musllinux_1_2 support (<a
href="https://github.com/pypa/cibuildwheel/issues/1561">#1561</a>)</li>
<li><a
href="https://github.com/pypa/cibuildwheel/commit/229f8570b497b5fa4a201f7dd28c4f52c104218e"><code>229f857</code></a>
[pre-commit.ci] pre-commit autoupdate (<a
href="https://github.com/pypa/cibuildwheel/issues/1562">#1562</a>)</li>
<li><a
href="https://github.com/pypa/cibuildwheel/commit/5b32ee7d7bcd9433f559d8b43e9f9a180288c227"><code>5b32ee7</code></a>
[pre-commit.ci] pre-commit autoupdate (<a
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<li><a
href="https://github.com/pypa/cibuildwheel/commit/3f3bd9cff62eb311ed99891cc65132731c0a1c6f"><code>3f3bd9c</code></a>
Merge pull request <a
href="https://github.com/pypa/cibuildwheel/issues/1554">#1554</a>
from pypa/pre-commit-ci-update-config</li>
<li><a
href="https://github.com/pypa/cibuildwheel/commit/8df6d59adf7f9c7876ece95d0f908b53e2014ff2"><code>8df6d59</code></a>
[pre-commit.ci] pre-commit autoupdate</li>
<li><a
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[pre-commit.ci] pre-commit autoupdate (<a
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Signed-off-by: dependabot[bot] <[email protected]>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Per openjournals/joss#423, we are planning to
make a new submission to JOSS for sourmash v4.x. The first paper from
2016 is [here](https://joss.theoj.org/papers/10.21105/joss.00027).

Fixes #1321.

Ref #622,
#444.

- [x] update authors per #1367
- [x] fix `@@@` in paper.md YAML header
- [x] review [JOSS
guidelines](https://joss.readthedocs.io/en/latest/submitting.html) and
think about what to add, if anything.
- [x] add funding acks - Moore esp
- [ ] let's fix citation issue finally
#511

---------

Co-authored-by: Tessa Pierce Ward <[email protected]>
Co-authored-by: N. Tessa Pierce-Ward <[email protected]>
Co-authored-by: Katrin Leinweber <[email protected]>
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codecov bot commented Aug 19, 2023

Codecov Report

Merging #2721 (29b7acf) into olgabot-patch-2 (db08838) will decrease coverage by 6.56%.
The diff coverage is 94.94%.

❗ Current head 29b7acf differs from pull request most recent head 4f73ab7. Consider uploading reports for the commit 4f73ab7 to get more accurate results

@@                 Coverage Diff                 @@
##           olgabot-patch-2    #2721      +/-   ##
===================================================
- Coverage            91.81%   85.26%   -6.56%     
===================================================
  Files                   99      133      +34     
  Lines                11047    15196    +4149     
  Branches              2178     2615     +437     
===================================================
+ Hits                 10143    12957    +2814     
- Misses                 606     1937    +1331     
- Partials               298      302       +4     
Flag Coverage Δ
hypothesis-py 25.79% <22.85%> (?)
python 92.82% <96.97%> (+1.00%) ⬆️
rust 51.64% <46.55%> (?)

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Files Changed Coverage Δ
src/core/src/encodings.rs 51.48% <0.00%> (ø)
src/core/src/errors.rs 0.00% <ø> (ø)
src/core/src/ffi/cmd/compute.rs 0.00% <0.00%> (ø)
src/core/src/ffi/minhash.rs 0.00% <0.00%> (ø)
src/core/src/ffi/nodegraph.rs 0.00% <0.00%> (ø)
src/core/src/ffi/signature.rs 0.00% <0.00%> (ø)
src/core/src/ffi/storage.rs 0.00% <0.00%> (ø)
src/core/src/index/linear.rs 1.96% <0.00%> (ø)
src/core/src/lib.rs 50.00% <ø> (ø)
src/core/src/sketch/nodegraph.rs 71.81% <0.00%> (ø)
... and 81 more

... and 11 files with indirect coverage changes

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ctb commented Aug 19, 2023

Ready for merge @olgabot

@olgabot olgabot merged commit 323d2c3 into olgabot-patch-2 Aug 21, 2023
23 of 35 checks passed
@olgabot olgabot deleted the ctb_update_2065 branch August 21, 2023 00:56
ctb added a commit that referenced this pull request Feb 29, 2024
…t-add-query-md5sum` (#2722)

This PR:
- adds documentation for `multigather` to sourmash docs!
- builds on #2065 /
#2721 so that tests pass.
- adds an option `-U/--output-add-query-md5sum` to `sourmash
multigather`
- adds an option `--force-allow-overwrite-output` to `sourmash
multigather`
- **CHANGES BEHAVIOR** of multigather by treating `query.filename ==
'-'` as if `query.filename` is empty, thus replacing it with md5sum
- **CHANGES BEHAVIOR** of multigather by failing loudly and clearly if
output files are going to be overwritten
- adds `-E/--extension` to allow output to files other than `.sig`

See discussion over in [#2328: `multigather` CSV output uses signature
`filename` as
basename](#2328).

To add:
- [x] tests for `-U`;
- [x] implement and test `-E/--extension`
- [x] implement and test `--force-allow-overwrite-output`
- [x] fix for `query_filename` being None/empty in `-U` branch
- [x] documentation update for changed output behavior for multigather:
'-' => using md5sum
- [x] documentation update for changed output behavior for multigather:
fails if overwrite happens
- [x] fix multigather link in docs

---------

Signed-off-by: dependabot[bot] <[email protected]>
Co-authored-by: Olga Botvinnik <[email protected]>
Co-authored-by: Keya Barve <[email protected]>
Co-authored-by: ccbaumler <[email protected]>
Co-authored-by: Tessa Pierce Ward <[email protected]>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
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Co-authored-by: N. Tessa Pierce-Ward <[email protected]>
Co-authored-by: Peter Cock <[email protected]>
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