feat: Add Public init using Kingfisher

.circleci/config.yml

@@ -88,7 +88,7 @@ jobs:
             source activate ./atlasenv
             atlas init --db-dir $DATABASE_DIR --threads 1 --working-dir test/Getenvs test/reads/empty
       - run:
-          name: install environements
+          name: install environments
           command: |
             source activate ./atlasenv
             atlas run all --working-dir test/Getenvs --conda-create-envs-only --cores all

.github/workflows/codespell.yml

@@ -21,7 +21,3 @@ jobs:
         uses: actions/checkout@v4
       - name: Codespell
         uses: codespell-project/actions-codespell@v2
-        with:
-          check_filenames: true
-          skip: ".git,*.pdf,*.svg,versioneer.py,*.css,*.html"
-          check_hidden: true

.github/workflows/python-package-conda.yml

@@ -106,7 +106,7 @@ jobs:
           path: databases
           key: conda-envs-assembly
 
-        # - name: upack conda envs
+        # - name: unpack conda envs
         #   if: steps.get-envs.outputs.cache-hit != 'true'
         #   run: tar -xzf assembly_conda_envs.tar.gz
 
@@ -198,7 +198,7 @@ jobs:
           path: wd
           key: assembly-working-dir
 
-      - name: dryrun assembly shold need nothing to be done
+      - name: dryrun assembly should need nothing to be done
         run: |
           ls -l wd
           ls -l databases/conda_envs
@@ -264,7 +264,7 @@ jobs:
           fail-on-cache-miss: true
           key: assembly-working-dir
 
-      - name: dryrun assembly shold need nothing to be done
+      - name: dryrun assembly should need nothing to be done
         run: |
           ls -l wd
           ls -l databases

CHANGELOG.md

@@ -1,186 +1,189 @@
 # Change log
 
 ## [2.19.0](https://github.com/metagenome-atlas/atlas/compare/v2.18.2...v2.19.0) (2024-07-28)
-* GTDB V9 R220
-* Spades v4
 
-## [2.18.2](https://github.com/metagenome-atlas/atlas/compare/v2.18.1...v2.18.2) (2024-06-28)
+- GTDB V9 R220
+- Spades v4
 
+## [2.18.2](https://github.com/metagenome-atlas/atlas/compare/v2.18.1...v2.18.2) (2024-06-28)
 
 ### Bug Fixes
 
-* 676 ([8b4d552](https://github.com/metagenome-atlas/atlas/commit/8b4d5522afe2b35265ea406ac2a4b7d0edf571fb))
-* 701 ([ce22404](https://github.com/metagenome-atlas/atlas/commit/ce224044ee13db9647b74a6cba726006f04ec861))
+- <https://github.com/metagenome-atlas/atlas/issues/676> ([8b4d552](https://github.com/metagenome-atlas/atlas/commit/8b4d5522afe2b35265ea406ac2a4b7d0edf571fb))
+- <https://github.com/metagenome-atlas/atlas/issues/701> ([ce22404](https://github.com/metagenome-atlas/atlas/commit/ce224044ee13db9647b74a6cba726006f04ec861))
 
 ## 2.18.1
 
 Fix error with downloading DRAM. Update to DRAM v1.5
 
 ## 2.18
 
-- Qc reads, assembly are now written in the sample.tsv from the start. This should fix errors of partial writing to the sample.tsv https://github.com/metagenome-atlas/atlas/issues/695
+- Qc reads, assembly are now written in the sample.tsv from the start. This should fix errors of partial writing to the sample.tsv <https://github.com/metagenome-atlas/atlas/issues/695>
 - It also allows you to add external assemblies.
-- singletons reads are no longer used trough the pipeline. 
-- This changes the default paths for raw reads and assemblies. 
+- singletons reads are no longer used through the pipeline.
+- This changes the default paths for raw reads and assemblies.
 assembly are now in `Assembly/fasta/{sample}.fasta`
 reads: `QC/reads/{sample}_{fraction}.fastq.gz`
 
-**Seemless update**: If you update atlas and continue on an old project. Your old files will be copied.
-Or the path defined in the sample.tsv will be used. 
-
-
+**Seamless update**: If you update atlas and continue on an old project. Your old files will be copied.
+Or the path defined in the sample.tsv will be used.
 
 ## 2.17
 
 ### Skani
+
 The tool Skani claims to be better and faster than the combination of mash + FastANI as used by dRep
-I implemented the skin for species clustering. 
-We now do the species clustering in the `atlas run binning` step. 
-So you get information about the number of dereplicated species in the binning report. This allows you to run different binners before choosing the one to use for the genome annotation. 
+I implemented the skin for species clustering.
+We now do the species clustering in the `atlas run binning` step.
+So you get information about the number of dereplicated species in the binning report. This allows you to run different binners before choosing the one to use for the genome annotation.
 Also, the file storage was improved all important files are in `Binning/{binner}/`
 
-
-
 My custom species clustering does the following steps:
 
-1. Pre-cluster genomes with *single-linkage* at 92.5 ANI. 
+1. Pre-cluster genomes with *single-linkage* at 92.5 ANI.
 2. **Re-calibrate checkm2 results.**
- - If a minority of genomes from a pre-cluster use a different translation table they are removed
- - If some genomes of a pre-cluster don't use the specialed completeness model we re-calibrate completeness to the minimum value.
- This ensures that not a bad genome evaluated on the general model is preferred over a better genome evaluated on the specific model.
-See also https://silask.github.io/post/better_genomes/ Section 2.
-- Drop genomes that don't correspond to the filter criteria after re-calibration
+    - If a minority of genomes from a pre-cluster use a different translation table they are removed
+    - If some genomes of a pre-cluster don't use the specialed completeness model we re-calibrate completeness to the minimum value.
+    This ensures that not a bad genome evaluated on the general model is preferred over a better genome evaluated on the specific model.
+    See also <https://silask.github.io/post/better_genomes/> Section 2.
+    - Drop genomes that don't correspond to the filter criteria after re-calibration
 3. Cluster genomes with ANI threshold default 95%
 4. Select the best genome as representative based on the Quality score Completeness - 5x Contamination
 
-
-
-
-
 ### New Contributors
-* @jotech made their first contribution in https://github.com/metagenome-atlas/atlas/pull/667
+
+- @jotech made their first contribution in <https://github.com/metagenome-atlas/atlas/pull/667>
 
 ## 2.16
 
- * gtdb08
+- gtdb08
 
 ## 2.15
 
-* Use Gunc
-* New Folder organisation: Main output files for Binning are in the new folder `Binning`
-* Use hdf-format for gene catalogs. Allow efficient storage and selective access to large count and coverage matrices from the genecatalog. (See docs for how to load them) https://github.com/metagenome-atlas/atlas/pull/621
-* Semibin v. 1.5 by @SilasK in https://github.com/metagenome-atlas/atlas/pull/622
-
+- Use Gunc
+- New Folder organisation: Main output files for Binning are in the new folder `Binning`
+- Use hdf-format for gene catalogs. Allow efficient storage and selective access to large count and coverage matrices from the genecatalog. (See docs for how to load them) <https://github.com/metagenome-atlas/atlas/pull/621>
+- Semibin v. 1.5 by @SilasK in <https://github.com/metagenome-atlas/atlas/pull/622>
 
 ## 2.14
 
-* Support for checkm2  by @SilasK in https://github.com/metagenome-atlas/atlas/pull/607
+- Support for checkm2 by @SilasK in <https://github.com/metagenome-atlas/atlas/pull/607>
 
 Thank you @trickovicmatija for your help.
 
-**Full Changelog**: https://github.com/metagenome-atlas/atlas/compare/v2.13.1...v2.14.0
+**Full Changelog**: <https://github.com/metagenome-atlas/atlas/compare/v2.13.1...v2.14.0>
+
 ## 2.13
 
-* use minimap for contigs, genecatalog and genomes in https://github.com/metagenome-atlas/atlas/pull/569  https://github.com/metagenome-atlas/atlas/pull/577
-* filter genomes my self  in https://github.com/metagenome-atlas/atlas/pull/568
+- use minimap for contigs, genecatalog and genomes in <https://github.com/metagenome-atlas/atlas/pull/569> <https://github.com/metagenome-atlas/atlas/pull/577>
+- filter genomes my self in <https://github.com/metagenome-atlas/atlas/pull/568>
 The filter function is defined in the config file:
-```
+
+```yaml
 genome_filter_criteria: "(Completeness-5*Contamination >50 ) & (Length_scaffolds >=50000) & (Ambigious_bases <1e6) & (N50 > 5*1e3) & (N_scaffolds < 1e3)"
 ```
-The genome filtering is similar as other publications in the field, e.g. GTDB. What is maybe a bit different is that genomes with completeness around 50% **and** contamination around 10% are excluded where as using the default parameters dRep would include those. 
 
-* use Drep again  in https://github.com/metagenome-atlas/atlas/pull/579
-We saw better performances using drep. This scales also now to ~1K samples
-* Use new Dram version 1.4 by in https://github.com/metagenome-atlas/atlas/pull/564
+The genome filtering is similar as other publications in the field, e.g. GTDB. What is maybe a bit different is that genomes with completeness around 50% **and** contamination around 10% are excluded where as using the default parameters dRep would include those.
 
+- use Drep again in <https://github.com/metagenome-atlas/atlas/pull/579>
+We saw better performances using drep. This scales also now to ~1K samples
+- Use new Dram version 1.4 by in <https://github.com/metagenome-atlas/atlas/pull/564>
 
-**Full Changelog**: https://github.com/metagenome-atlas/atlas/compare/v2.12.0...v2.13.0
+**Full Changelog**: <https://github.com/metagenome-atlas/atlas/compare/v2.12.0...v2.13.0>
 
 ## 2.12
 
-* GTDB-tk requires rule `extract_gtdb` to run first by @Waschina in https://github.com/metagenome-atlas/atlas/pull/551
-* use Galah instead of Drep 
-* use bbsplit for mapping to genomes (maybe move to minimap in future)
-* faster gene catalogs quantification using minimap. 
-* Compatible with snakemake v7.15
+- GTDB-tk requires rule `extract_gtdb` to run first by @Waschina in <https://github.com/metagenome-atlas/atlas/pull/551>
+- use Galah instead of Drep
+- use bbsplit for mapping to genomes (maybe move to minimap in future)
+- faster gene catalogs quantification using minimap.
+- Compatible with snakemake v7.15
+
 ### New Contributors
-* @Waschina made their first contribution in https://github.com/metagenome-atlas/atlas/pull/551
 
-**Full Changelog**: https://github.com/metagenome-atlas/atlas/compare/v2.11.1...v2.12.0
+- @Waschina made their first contribution in <https://github.com/metagenome-atlas/atlas/pull/551>
+
+**Full Changelog**: <https://github.com/metagenome-atlas/atlas/compare/v2.11.1...v2.12.0>
 
 ## 2.11
-* Make atlas handle large gene catalogs using parquet and pyfastx (Fix #515)
 
-parquet files can be opened in python with 
-```
+- Make atlas handle large gene catalogs using parquet and pyfastx (Fix <https://github.com/metagenome-atlas/atlas/issues/515>)
+
+parquet files can be opened in python with
+
+```py
 import pandas as pd
 coverage = pd.read_parquet("working_dir/Genecatalog/counts/median_coverage.parquet")
 coverage.set_index("GeneNr", inplace=True)
-
 ```
 
 and in R it should be something like:
 
-```
+```R
 arrow::read_parquet("working_dir/Genecatalog/counts/median_coverage.parquet")
-
 ```
 
+**Full Changelog**: <https://github.com/metagenome-atlas/atlas/compare/v2.10.0...v2.11.0>
 
-**Full Changelog**: https://github.com/metagenome-atlas/atlas/compare/v2.10.0...v2.11.0
-
-## [2.10](https://github.com/metagenome-atlas/atlas/compare/v2.9.1...v2.10.0) 
+## [2.10](https://github.com/metagenome-atlas/atlas/compare/v2.9.1...v2.10.0)
 
 ### Features
-* GTDB version 207
-* Low memory taxonomic annotation
 
+- GTDB version 207
+- Low memory taxonomic annotation
 
-## [2.9](https://github.com/metagenome-atlas/atlas/compare/v2.8.2...v2.9.0) 
+## [2.9](https://github.com/metagenome-atlas/atlas/compare/v2.8.2...v2.9.0)
 
 ### Features
-* ✨ Start an atlas project from public data in SRA [Docs](https://metagenome-atlas.readthedocs.io/en/latest/usage/getting_started.html#start-a-new-project-with-public-data)
-* Make atlas ready for python 3.10  https://github.com/metagenome-atlas/atlas/pull/498
-* Add strain profiling using inStrain You can run `atlas run genomes strains`
+
+- ✨ Start an atlas project from public data in SRA [Docs](https://metagenome-atlas.readthedocs.io/en/latest/usage/getting_started.html#start-a-new-project-with-public-data)
+- Make atlas ready for python 3.10 <https://github.com/metagenome-atlas/atlas/pull/498>
+- Add strain profiling using inStrain You can run `atlas run genomes strains`
 
 ### New Contributors
-* @alienzj made their first contribution to fix config when run DRAM annotate in https://github.com/metagenome-atlas/atlas/pull/495
 
+- @alienzj made their first contribution to fix config when run DRAM annotate in <https://github.com/metagenome-atlas/atlas/pull/495>
 
 ## 2.8
-This is a major update of metagenome-atlas. It was developed for the [3-day course in Finnland](https://silask.github.io/talk/3-day-course-on-metagenome-atlas/), that's also why it has a finish release name. 
 
+This is a major update of metagenome-atlas. It was developed for the [3-day course in Finnland](https://silask.github.io/talk/3-day-course-on-metagenome-atlas/), that's also why it has a finish release name.
 
 ### New binners
-It integrates bleeding-edge binners `Vamb` and `SemiBin` that use Co-binning based on co-abundance. Thank you @yanhui09 and @psj1997 for helping with this. The first results show better results using these binners over the default. 
+
+It integrates bleeding-edge binners `Vamb` and `SemiBin` that use Co-binning based on co-abundance. Thank you @yanhui09 and @psj1997 for helping with this. The first results show better results using these binners over the default.
 
 [See more](https://metagenome-atlas.readthedocs.io/en/v2.8.0/usage/output.html#binning)
 
 ### Pathway annotations
-The command `atlas run genomes` produces genome-level functional annotation and Kegg pathways respective modules. It uses DRAM  from @shafferm with a hack to produce all available Kegg modules. 
+
+The command `atlas run genomes` produces genome-level functional annotation and Kegg pathways respective modules. It uses DRAM from @shafferm with a hack to produce all available Kegg modules.
 
 [See more](https://metagenome-atlas.readthedocs.io/en/v2.8.0/usage/output.html#annotations)
 
 ### Genecatalog
-The command `atlas run genecatalog` now produces directly the abundance of the different genes. See more in #276 
 
-> In future this part of the pipeline will include protein assembly to better tackle complicated metagenomes. 
+The command `atlas run genecatalog` now produces directly the abundance of the different genes. See more in <https://github.com/metagenome-atlas/atlas/issues/276>
+
+> In future this part of the pipeline will include protein assembly to better tackle complicated metagenomes.
 
 ### Minor updates
 
 #### Reports are back
+
 See for example the [QC report](https://metagenome-atlas.readthedocs.io/en/v2.8.0/_static/QC_report.html)
 
 #### Update of all underlying tools
-All tools use in atlas are now up to date.  From assebler to GTDB.
+
+All tools use in atlas are now up to date. From assebler to GTDB.
 The one exception is, BBmap which contains a [bug](https://sourceforge.net/p/bbmap/tickets/48/) and ignores the minidenty parameter.
 
-#### Atlas init 
-Atlas init correctly parses fastq files even if they are in subfolders and if paired-ends are named simply  Sample_1/Sample_2. @Sofie8 will be happy about this.
+#### Atlas init
+
+Atlas init correctly parses fastq files even if they are in subfolders and if paired-ends are named simply Sample_1/Sample_2. @Sofie8 will be happy about this.
 Atlas log uses nice colors.
- 
+
 #### Default clustering of Subspecies
 
-The default ANI threshold for genome-dereplication was set to 97.5% to include more sub-species diversity. 
+The default ANI threshold for genome-dereplication was set to 97.5% to include more sub-species diversity.
 
 [See more](https://metagenome-atlas.readthedocs.io/en/v2.8.0/usage/output.html#genomes)

CONTRIBUTING.md

@@ -13,32 +13,32 @@ If you don't find any help. Submit a issue:
 
 I hope we can help you...
 
-
 # Contribute to the metagenome-atlas code
 
 ## Prerequisites
+
 - know the basic about git and gitHub
 - know how snakemake works, otherwise check the [tutorial](https://snakemake.readthedocs.io/en/stable/tutorial/tutorial.html)
 
 ## Setup
 
-You can ask the maintainers to be added to the repository and work from a *branch* of the main atlas repository or you can work from a fork of the atlas repository. 
+You can ask the maintainers to be added to the repository and work from a *branch* of the main atlas repository or you can work from a fork of the atlas repository.
 
-Follow the [steps](https://github.com/metagenome-atlas/atlas#install-the-development-version-from-github) to set up the developpment version of atlas. This allows you to work with the code you have in the git repository. 
+<<<<<<< HEAD
+Follow the [steps](https://github.com/metagenome-atlas/atlas#install-the-development-version-from-github) to set up the development version of atlas. This allows you to work with the code you have in the git repository. 
+=======
+Follow the [steps](https://github.com/metagenome-atlas/atlas#install-the-development-version-from-github) to set up the development version of atlas. This allows you to work with the code you have in the git repository.
+>>>>>>> 97ed6282 (format and codespell)
 
 ## Test the code
-### Locally
-Idelly you should have some test prpject on your local machine. 
-When you created a new rule and you want to test the output of this rule `my_target.tsv` you can do this by running: 
-
-``` atlas run None my_target.tsv ```
 
+### Locally
 
+Idelly you should have some test prpject on your local machine.
+When you created a new rule and you want to test the output of this rule `my_target.tsv` you can do this by running:
 
+``` atlas run None my_target.tsv ```
 
-### Continous integration
-When you make a pull request to the master branch. Each change in your code get's checked by continous integration (CI). The tests should make shure that your modification don't break any other use of atlas. However due to the requeirements needed during the execution of atlas, it is not possible to test all functionalities via CI. If you add functionalities to atlas, they should also be tested. Have a look at the scripts in `.test`.
-
-
-
+### Continuous integration
 
+When you make a pull request to the master branch. Each change in your code gets checked by continuous integration (CI). The tests should make sure that your modification don't break any other use of atlas. However due to the requeirements needed during the execution of atlas, it is not possible to test all functionalities via CI. If you add functionalities to atlas, they should also be tested. Have a look at the scripts in `.test`.

Dockerfile

@@ -0,0 +1,33 @@
+# Start with the Miniconda base image
+FROM continuumio/miniconda3:24.9.2-0
+
+# Set the working directory in the container
+WORKDIR /main
+
+# Copy the environment file and project code
+COPY atlasenv.yml .
+
+# Create a user with a specific UID and GID
+RUN groupadd -g 1000 atlasgroup && \
+    useradd -m -u 1000 -g atlasgroup -s /bin/bash atlasuser
+
+# Set the HOME environment variable
+ENV HOME=/home/atlasuser
+
+# Change ownership of the home directory
+RUN chown -R atlasuser:atlasgroup $HOME
+
+# Switch to the new user
+USER atlasuser
+
+# Create and activate the environment
+RUN conda env create -n atlas -f atlasenv.yml && \
+    conda clean -afy && \
+    echo "source activate atlas" > ~/.bashrc
+
+# Set the working directory
+WORKDIR /main
+
+
+# Set the default command
+CMD ["bash"]