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adds pangolin 4.4 and pdata 1.38#1601

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erinyoung merged 1 commit intomasterfrom
cjk-pdata-1.38
Mar 18, 2026
Merged

adds pangolin 4.4 and pdata 1.38#1601
erinyoung merged 1 commit intomasterfrom
cjk-pdata-1.38

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@kapsakcj
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@kapsakcj kapsakcj commented Mar 18, 2026

Adds dockerfile for Pangolin 4.4 and pangolin-data 1.38. This new release brings new lineages: https://github.com/cov-lineages/pango-designation/releases/tag/v1.38

I propose we tag this image as staphb/pangolin:4.4-pdata-1.38 and overwrite the latest tag.

Not too different from the previous image, dockerfile only changed by 1 line. Most changes were dependencies installed via micromamba.

$ diff -w build-files/pangolin/4.4-pdata-1.3*
diff -w build-files/pangolin/4.4-pdata-1.37.1/Dockerfile build-files/pangolin/4.4-pdata-1.38/Dockerfile
12c12
< ARG PANGOLIN_DATA_VER="v1.37.1"
---
> ARG PANGOLIN_DATA_VER="v1.38"
diff -w build-files/pangolin/4.4-pdata-1.37.1/README.md build-files/pangolin/4.4-pdata-1.38/README.md
19a20
> annotated-types                        0.7.0         pyhd8ed1ab_1          conda-forge
22c23
< attr                                   2.5.2         h39aace5_0            conda-forge
---
> attr                                   2.5.2         hb03c661_1            conda-forge
28,29c29,30
< ca-certificates                        2026.1.4      hbd8a1cb_0            conda-forge
< certifi                                2026.1.4      pyhd8ed1ab_0          conda-forge
---
> ca-certificates                        2026.2.25     hbd8a1cb_0            conda-forge
> certifi                                2026.2.25     pyhd8ed1ab_0          conda-forge
31c32
< charset-normalizer                     3.4.4         pyhd8ed1ab_0          conda-forge
---
> charset-normalizer                     3.4.6         pyhd8ed1ab_0          conda-forge
38c39
< configargparse                         1.7.1         pyhe01879c_0          conda-forge
---
> configargparse                         1.7.5         pyhcf101f3_0          conda-forge
48a50
> greenlet                               3.3.2         py312h8285ef7_0       conda-forge
63c65
< kernel-headers_linux-64                6.12.0        he073ed8_5            conda-forge
---
> kernel-headers_linux-64                6.12.0        he073ed8_6            conda-forge
67a70
> libattr                                2.5.2         hb03c661_1            conda-forge
96c99
< libudev1                               259.1         h6569c3e_0            conda-forge
---
> libudev1                               260           h6569c3e_0            conda-forge
101c104
< markupsafe                             3.0.3         py312h8a5da7c_0       conda-forge
---
> markupsafe                             3.0.3         py312h8a5da7c_1       conda-forge
103c106
< mpfr                                   4.2.1         h90cbb55_3            conda-forge
---
> mpfr                                   4.2.2         he0a73b1_0            conda-forge
115,116c118,119
< pangolin_assignment                    1.37.1        pypi_0                pypi       
< pangolin_data                          1.37.1        pypi_0                pypi       
---
> pangolin_assignment                    1.38          pypi_0                pypi       
> pangolin_data                          1.38          pypi_0                pypi       
118c121
< platformdirs                           4.9.2         pyhcf101f3_0          conda-forge
---
> platformdirs                           4.9.4         pyhcf101f3_0          conda-forge
121a125,126
> pydantic                               2.12.5        pyhcf101f3_1          conda-forge
> pydantic-core                          2.41.5        py312h868fb18_1       conda-forge
128c133
< pytz                                   2025.2        pypi_0                pypi       
---
> pytz                                   2026.1.post1  pypi_0                pypi       
133d137
< reretry                                0.11.8        pyhd8ed1ab_1          conda-forge
136c140
< scipy                                  1.17.0        pypi_0                pypi       
---
> scipy                                  1.17.1        pypi_0                pypi       
140c144
< smart_open                             7.5.0         pyhcf101f3_0          conda-forge
---
> smart_open                             7.5.1         pyhcf101f3_0          conda-forge
142,143c146,147
< snakemake-interface-common             1.22.0        pyhd4c3c12_0          bioconda   
< snakemake-interface-executor-plugins   9.3.9         pyhdfd78af_0          bioconda   
---
> snakemake-interface-common             1.23.0        pyh84498cf_0          bioconda   
> snakemake-interface-executor-plugins   9.4.0         pyh84498cf_0          bioconda   
147,150c151,157
< snakemake-interface-storage-plugins    4.3.3         pyh84498cf_0          bioconda   
< snakemake-minimal                      9.16.3        pyhdfd78af_0          bioconda   
< sysroot_linux-64                       2.39          hc4b9eeb_5            conda-forge
< tabulate                               0.9.0         pyhcf101f3_3          conda-forge
---
> snakemake-interface-storage-plugins    4.4.0         pyh84498cf_1          bioconda   
> snakemake-minimal                      9.17.2        pyhdfd78af_0          bioconda   
> sqlalchemy                             2.0.48        py312h5253ce2_0       conda-forge
> sqlmodel                               0.0.37        pyhcf101f3_0          conda-forge
> sysroot_linux-64                       2.39          hc4b9eeb_6            conda-forge
> tabulate                               0.10.0        pyhcf101f3_0          conda-forge
> tenacity                               9.1.4         pyhcf101f3_0          conda-forge
153a161
> toml                                   0.10.2        pyhcf101f3_3          conda-forge
154a163,164
> typing-extensions                      4.15.0        h396c80c_0            conda-forge
> typing-inspection                      0.4.2         pyhd8ed1ab_1          conda-forge

Pull Request (PR) checklist:

  • Include a description of what is in this pull request in this message.
  • The dockerfile successfully builds to a test target for the user creating the PR. (i.e. docker build --tag samtools:1.15test --target test docker-builds/build-files/samtools/1.15 )
  • Directory structure as name of the tool in lower case with special characters removed with a subdirectory of the version number in build-files (i.e. docker-builds/build-files/spades/3.12.0/Dockerfile)
    • (optional) All test files are located in same directory as the Dockerfile (i.e. build-files/shigatyper/2.0.1/test.sh)
  • Create a simple container-specific README.md in the same directory as the Dockerfile (i.e. docker-builds/build-files/spades/3.12.0/README.md)
    • If this README is longer than 30 lines, there is an explanation as to why more detail was needed
  • Dockerfile includes the recommended LABELS
  • Main README.md has been updated to include the tool and/or version of the dockerfile(s) in this PR
  • Program_Licenses.md contains the tool(s) used in this PR and has been updated for any missing

@erinyoung
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Tests work

#20 20.68 [Wed Mar 18 01:54:16 2026]
#20 20.68 localrule usher_inference:
#20 20.68     input: /tmp/tmpp52v0jyx/not_cache_assigned.fasta, /opt/conda/envs/pangolin/lib/python3.12/site-packages/pangolin/data/reference.fasta, /opt/conda/envs/pangolin/lib/python3.12/site-packages/pangolin_data/data/lineageTree.pb
#20 20.68     output: /tmp/tmpp52v0jyx/clades.txt
#20 20.68     log: /tmp/tmpp52v0jyx/logs/usher.log
#20 20.68     jobid: 3
#20 20.68     reason: Forced execution
#20 20.68     resources: tmpdir=/tmp
#20 20.68 Using UShER as inference engine.
#20 23.11 [Wed Mar 18 01:54:19 2026]
#20 23.11 Finished jobid: 3 (Rule: usher_inference)
#20 23.11 2 of 4 steps (50%) done
#20 23.11 Select jobs to execute...
#20 23.12 Execute 1 jobs...
#20 23.12 
#20 23.12 [Wed Mar 18 01:54:19 2026]
#20 23.12 localrule usher_to_report:
#20 23.12     input: /tmp/tmpp52v0jyx/clades.txt
#20 23.12     output: /tmp/tmpp52v0jyx/inference_report.csv
#20 23.12     jobid: 2
#20 23.12     reason: Forced execution
#20 23.12     resources: tmpdir=/tmp
#20 24.16 Using UShER as inference engine.
#20 27.10 [Wed Mar 18 01:54:23 2026]
#20 27.10 Finished jobid: 2 (Rule: usher_to_report)
#20 27.10 3 of 4 steps (75%) done
#20 27.10 Select jobs to execute...
#20 27.12 Execute 1 jobs...
#20 27.12 
#20 27.12 [Wed Mar 18 01:54:23 2026]
#20 27.12 localrule all:
#20 27.12     input: /tmp/tmpp52v0jyx/cache_assigned.csv, /tmp/tmpp52v0jyx/inference_report.csv
#20 27.12     jobid: 0
#20 27.12     reason: Forced execution
#20 27.12     resources: tmpdir=/tmp
#20 27.12 [Wed Mar 18 01:54:23 2026]
#20 27.12 Finished jobid: 0 (Rule: all)
#20 27.12 4 of 4 steps (100%) done
#20 27.12 Complete log(s): /tmp/tmpp52v0jyx/.snakemake/log/2026-03-18T015415.008773.snakemake.log
#20 27.13 ****
#20 27.13 Pangolin running in usher mode.
#20 27.13 ****
#20 27.13 Maximum ambiguity allowed is 0.3.
#20 27.13 ****
#20 27.13 Query file:	/data/ncbi_dataset/data/genomic.fna
#20 27.13 ****
#20 27.13 Data files found:
#20 27.13 usher_pb:	/opt/conda/envs/pangolin/lib/python3.12/site-packages/pangolin_data/data/lineageTree.pb
#20 27.13 ****
#20 27.13 ****
#20 27.13 Output file written to: /data/lineage_report.csv
#20 27.27 taxon                                       lineage    conflict  ambiguity_score  scorpio_call             scorpio_support  scorpio_conflict  scorpio_notes                                                               version       pangolin_version  scorpio_version  constellation_version  is_designated  qc_status  qc_notes                note
#20 27.27 "ON924087.1 USA/FL-BPHL-10062/2022"         BA.1       0.0                        Omicron (BA.1-like)      0.93             0.0               scorpio call: Alt alleles 54; Ref alleles 0; Amb alleles 1; Oth alleles 3   PUSHER-v1.38  4.4               0.3.19           v0.1.12                False          pass       Ambiguous_content:0.02  Usher placements: BA.1(1/1)
#20 27.27 "OQ381818.1 USA/NY-CDC-814743580/2023"      XBB.1.16   0.0                        Omicron (XBB.1.16-like)  0.94             0.01              scorpio call: Alt alleles 84; Ref alleles 1; Amb alleles 0; Oth alleles 4   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.02  Assigned from designation hash.
#20 27.27 "OR177999.1 KEN/SS11906/2023"               XBB.1.16   0.0                        Omicron (XBB.1.16-like)  0.79             0.0               scorpio call: Alt alleles 70; Ref alleles 0; Amb alleles 16; Oth alleles 3  PUSHER-v1.38  4.4               0.3.19           v0.1.12                False          pass       Ambiguous_content:0.06  Usher placements: XBB.1.16(1/1)
#20 27.27 "OR461132.1 USA/UM-10052670540/2023"        BA.2.86    0.0                        Omicron (BA.2-like)      0.92             0.03              scorpio call: Alt alleles 57; Ref alleles 2; Amb alleles 0; Oth alleles 3   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.05  Assigned from designation hash.
#20 27.27 "OR598183.1 USA/NY-CDC-QDX84783166/2023"    JN.2       0.0                        Omicron (BA.2-like)      0.92             0.03              scorpio call: Alt alleles 57; Ref alleles 2; Amb alleles 0; Oth alleles 3   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.02  Assigned from designation hash.
#20 27.27 "OR716684.1 USA/UT-UPHL-231013743171/2023"  JQ.1       0.0                        Omicron (BA.2-like)      0.92             0.03              scorpio call: Alt alleles 57; Ref alleles 2; Amb alleles 0; Oth alleles 3   PUSHER-v1.38  4.4               0.3.19           v0.1.12                False          pass       Ambiguous_content:0.02  Usher placements: JQ.1(1/1)
#20 27.27 "PP189069.1 USA/NY-CDC-LC1087283/2024"      JN.1.22    0.0                        Omicron (BA.2-like)      0.92             0.03              scorpio call: Alt alleles 57; Ref alleles 2; Amb alleles 0; Oth alleles 3   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.02  Assigned from designation hash.
#20 27.27 "PP218754.1 USA/TX-CDC-QDX91407980/2024"    JN.1.48    0.0                        Omicron (BA.2-like)      0.92             0.03              scorpio call: Alt alleles 57; Ref alleles 2; Amb alleles 0; Oth alleles 3   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.02  Assigned from designation hash.
#20 27.27 "PP770375.1 USA/PR-CVL-023312/2024"         LK.1       0.0                        Omicron (BA.2-like)      0.82             0.02              scorpio call: Alt alleles 51; Ref alleles 1; Amb alleles 6; Oth alleles 4   PUSHER-v1.38  4.4               0.3.19           v0.1.12                False          pass       Ambiguous_content:0.1   Usher placements: LK.1(1/1)
#20 27.27 "PQ034842.1 USA/NY-CDC-LC1108001/2024"      MC.2       0.0                        Omicron (BA.2-like)      0.92             0.02              scorpio call: Alt alleles 57; Ref alleles 1; Amb alleles 0; Oth alleles 4   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.02  Assigned from designation hash.
#20 27.27 "PQ073669.1 USA/VA-GBW-GKPLAAAA32677/2024"  KP.3.3.2   0.0                        Omicron (BA.2-like)      0.84             0.02              scorpio call: Alt alleles 52; Ref alleles 1; Amb alleles 4; Oth alleles 5   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.09  Assigned from designation hash.
#20 27.27 "PQ277908.1 USA/NC-CDC-LC1115773/2024"      XEC.2      0.0                        Omicron (BA.2-like)      0.9              0.02              scorpio call: Alt alleles 56; Ref alleles 1; Amb alleles 0; Oth alleles 5   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.02  Assigned from designation hash.
#20 27.27 "PQ725776.1 USA/NJ-CDC-LC1125974/2024"      NC.1.2     0.0                        Omicron (BA.2-like)      0.92             0.03              scorpio call: Alt alleles 57; Ref alleles 2; Amb alleles 0; Oth alleles 3   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.02  Assigned from designation hash.
#20 27.27 "PV666687.1 USA/CA-LACPHL-AY11666/2025"     PQ.3       0.0                        Omicron (BA.2-like)      0.9              0.0               scorpio call: Alt alleles 56; Ref alleles 0; Amb alleles 1; Oth alleles 5   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.03  Assigned from designation hash.
#20 27.27 "PV979512.1 USA/WA-GBW-GKPLAAAA61422/2025"  XFG.5.1.4  0.0                        Omicron (BA.2-like)      0.79             0.0               scorpio call: Alt alleles 49; Ref alleles 0; Amb alleles 8; Oth alleles 5   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.22  Assigned from designation hash.
#20 27.27 "PX025687.1 USA/CO-CDPHE-43923097/2025"     XFG.3.5    0.0                        Omicron (BA.2-like)      0.76             0.02              scorpio call: Alt alleles 47; Ref alleles 1; Amb alleles 10; Oth alleles 4  PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.16  Assigned from designation hash.
#20 27.27 "PX697933.1 USA/CO-CDPHE-45455785/2025"     PQ.17.11   0.0                        Omicron (BA.2-like)      0.84             0.02              scorpio call: Alt alleles 52; Ref alleles 1; Amb alleles 5; Oth alleles 4   PANGO-v1.38   4.4               0.3.19           v0.1.12                True           pass       Ambiguous_content:0.11  Assigned from designation hash.
#20 DONE 27.3s

@erinyoung
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I have no changes to recommend. I'm going to get this merged and deployed.

@erinyoung erinyoung merged commit 9cf097c into master Mar 18, 2026
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@erinyoung
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Thank you for putting this together so quickly! The status of the deploy can be found at https://github.com/StaPH-B/docker-builds/actions/runs/23258044266

@kapsakcj kapsakcj deleted the cjk-pdata-1.38 branch March 19, 2026 14:53
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2 participants