Merge pull request #335 from singularityhub/update/containers-2025-05-29

[bot] update/containers-2025-05-29

Author: vsoch

quay.io/biocontainers/crossfilt/container.yaml

@@ -0,0 +1,17 @@
+url: https://biocontainers.pro/tools/crossfilt
+maintainer: '@vsoch'
+description: singularity registry hpc automated addition for crossfilt
+latest:
+  0.1.3--pyhdfd78af_0: sha256:420e1ea89aabd483ce2bf232a708a908f5a6360b9358fa56858eb0c3790a3753
+tags:
+  0.1.3--pyhdfd78af_0: sha256:420e1ea89aabd483ce2bf232a708a908f5a6360b9358fa56858eb0c3790a3753
+docker: quay.io/biocontainers/crossfilt
+aliases:
+  crossfilt-filter: /usr/local/bin/crossfilt-filter
+  crossfilt-lift: /usr/local/bin/crossfilt-lift
+  crossfilt-split: /usr/local/bin/crossfilt-split
+  2to3-3.12: /usr/local/bin/2to3-3.12
+  idle3.12: /usr/local/bin/idle3.12
+  pydoc3.12: /usr/local/bin/pydoc3.12
+  python3.12: /usr/local/bin/python3.12
+  python3.12-config: /usr/local/bin/python3.12-config

quay.io/biocontainers/igv-notebook/container.yaml

@@ -0,0 +1,26 @@
+url: https://biocontainers.pro/tools/igv-notebook
+maintainer: '@vsoch'
+description: singularity registry hpc automated addition for igv-notebook
+latest:
+  0.6.2--pyhdfd78af_0: sha256:273ffa107d883b462b117d39a6ef4f024115b4b2e3e1f65188d9881b4e87e7e6
+tags:
+  0.6.2--pyhdfd78af_0: sha256:273ffa107d883b462b117d39a6ef4f024115b4b2e3e1f65188d9881b4e87e7e6
+docker: quay.io/biocontainers/igv-notebook
+aliases:
+  debugpy: /usr/local/bin/debugpy
+  debugpy-adapter: /usr/local/bin/debugpy-adapter
+  jupyter-kernel: /usr/local/bin/jupyter-kernel
+  jupyter-kernelspec: /usr/local/bin/jupyter-kernelspec
+  jupyter-run: /usr/local/bin/jupyter-run
+  curve_keygen: /usr/local/bin/curve_keygen
+  ipython3: /usr/local/bin/ipython3
+  ipython: /usr/local/bin/ipython
+  idle3.13: /usr/local/bin/idle3.13
+  pydoc3.13: /usr/local/bin/pydoc3.13
+  python3.13: /usr/local/bin/python3.13
+  python3.13-config: /usr/local/bin/python3.13-config
+  jupyter: /usr/local/bin/jupyter
+  jupyter-migrate: /usr/local/bin/jupyter-migrate
+  jupyter-troubleshoot: /usr/local/bin/jupyter-troubleshoot
+  pygmentize: /usr/local/bin/pygmentize
+  normalizer: /usr/local/bin/normalizer

quay.io/biocontainers/kcftools/container.yaml

@@ -0,0 +1,35 @@
+url: https://biocontainers.pro/tools/kcftools
+maintainer: '@vsoch'
+description: singularity registry hpc automated addition for kcftools
+latest:
+  0.0.1--hdfd78af_0: sha256:177d5779bbd70211e65a6d006c854a40bb28fb2d8c7a80032a74340e1642630d
+tags:
+  0.0.1--hdfd78af_0: sha256:177d5779bbd70211e65a6d006c854a40bb28fb2d8c7a80032a74340e1642630d
+docker: quay.io/biocontainers/kcftools
+aliases:
+  kcftools: /usr/local/bin/kcftools
+  kmc_dump: /usr/local/bin/kmc_dump
+  kmc: /usr/local/bin/kmc
+  kmc_tools: /usr/local/bin/kmc_tools
+  x86_64-conda-linux-gnu.cfg: /usr/local/bin/x86_64-conda-linux-gnu.cfg
+  idle3.13: /usr/local/bin/idle3.13
+  pydoc3.13: /usr/local/bin/pydoc3.13
+  python3.13: /usr/local/bin/python3.13
+  python3.13-config: /usr/local/bin/python3.13-config
+  jpackage: /usr/local/bin/jpackage
+  cups-config: /usr/local/bin/cups-config
+  ippeveprinter: /usr/local/bin/ippeveprinter
+  ipptool: /usr/local/bin/ipptool
+  jfr: /usr/local/bin/jfr
+  hb-info: /usr/local/bin/hb-info
+  jdeprscan: /usr/local/bin/jdeprscan
+  jhsdb: /usr/local/bin/jhsdb
+  jimage: /usr/local/bin/jimage
+  jlink: /usr/local/bin/jlink
+  jmod: /usr/local/bin/jmod
+  jshell: /usr/local/bin/jshell
+  aserver: /usr/local/bin/aserver
+  jdeps: /usr/local/bin/jdeps
+  jar: /usr/local/bin/jar
+  jarsigner: /usr/local/bin/jarsigner
+  java: /usr/local/bin/java

quay.io/biocontainers/metacompass/container.yaml

@@ -0,0 +1,36 @@
+url: https://biocontainers.pro/tools/metacompass
+maintainer: '@vsoch'
+description: singularity registry hpc automated addition for metacompass
+latest:
+  1.12--h9948957_0: sha256:42054ac7f3fc2df10895e8504319e97a37fb88a8b81301e5a9c16280588c9e67
+tags:
+  1.12--h9948957_0: sha256:42054ac7f3fc2df10895e8504319e97a37fb88a8b81301e5a9c16280588c9e67
+docker: quay.io/biocontainers/metacompass
+aliases:
+  go_metacompass.py: /usr/local/bin/go_metacompass.py
+  kmer-mask: /usr/local/bin/kmer-mask
+  megahit_core: /usr/local/bin/megahit_core
+  megahit_core_no_hw_accel: /usr/local/bin/megahit_core_no_hw_accel
+  megahit_core_popcnt: /usr/local/bin/megahit_core_popcnt
+  megahit: /usr/local/bin/megahit
+  megahit_toolkit: /usr/local/bin/megahit_toolkit
+  rst2html: /usr/local/bin/rst2html
+  rst2html4: /usr/local/bin/rst2html4
+  rst2html5: /usr/local/bin/rst2html5
+  rst2latex: /usr/local/bin/rst2latex
+  rst2man: /usr/local/bin/rst2man
+  rst2odt: /usr/local/bin/rst2odt
+  rst2pseudoxml: /usr/local/bin/rst2pseudoxml
+  rst2s5: /usr/local/bin/rst2s5
+  rst2xetex: /usr/local/bin/rst2xetex
+  rst2xml: /usr/local/bin/rst2xml
+  bsmp2info: /usr/local/bin/bsmp2info
+  fsa2xml: /usr/local/bin/fsa2xml
+  gbf2info: /usr/local/bin/gbf2info
+  just-top-hits: /usr/local/bin/just-top-hits
+  systematic-mutations: /usr/local/bin/systematic-mutations
+  archive-ncbinlp: /usr/local/bin/archive-ncbinlp
+  archive-nihocc: /usr/local/bin/archive-nihocc
+  archive-nmcds: /usr/local/bin/archive-nmcds
+  archive-pmc: /usr/local/bin/archive-pmc
+  archive-taxonomy: /usr/local/bin/archive-taxonomy

quay.io/biocontainers/mmcif/container.yaml

@@ -0,0 +1,18 @@
+url: https://biocontainers.pro/tools/mmcif
+maintainer: '@vsoch'
+description: singularity registry hpc automated addition for mmcif
+latest:
+  0.91.0--py310h8ea774a_0: sha256:a5514e483afef2fdc43209a928241f7e4ee3b0b7b9d9bc16148fde1853592fb6
+tags:
+  0.91.0--py310h8ea774a_0: sha256:a5514e483afef2fdc43209a928241f7e4ee3b0b7b9d9bc16148fde1853592fb6
+docker: quay.io/biocontainers/mmcif
+aliases:
+  build_dict_cli: /usr/local/bin/build_dict_cli
+  futurize: /usr/local/bin/futurize
+  pasteurize: /usr/local/bin/pasteurize
+  normalizer: /usr/local/bin/normalizer
+  2to3-3.10: /usr/local/bin/2to3-3.10
+  idle3.10: /usr/local/bin/idle3.10
+  pydoc3.10: /usr/local/bin/pydoc3.10
+  python3.10: /usr/local/bin/python3.10
+  python3.10-config: /usr/local/bin/python3.10-config

quay.io/biocontainers/myloasm/container.yaml

@@ -0,0 +1,10 @@
+url: https://biocontainers.pro/tools/myloasm
+maintainer: '@vsoch'
+description: singularity registry hpc automated addition for myloasm
+latest:
+  0.1.0--ha6fb395_0: sha256:1d8b445a5066d5cb6f77b781c46c515a15b29c76937f5f429c51b118fe1f2165
+tags:
+  0.1.0--ha6fb395_0: sha256:1d8b445a5066d5cb6f77b781c46c515a15b29c76937f5f429c51b118fe1f2165
+docker: quay.io/biocontainers/myloasm
+aliases:
+  myloasm: /usr/local/bin/myloasm

quay.io/biocontainers/openstructure/container.yaml

@@ -0,0 +1,86 @@
+url: https://biocontainers.pro/tools/openstructure
+maintainer: '@vsoch'
+description: singularity registry hpc automated addition for openstructure
+latest:
+  2.10.0--py312haad5270_1: sha256:45e6fe9b7c098c90a62ee34f0eb95f976028c05ceedfa228e4b2372ed47fe7ed
+tags:
+  2.10.0--py312haad5270_1: sha256:45e6fe9b7c098c90a62ee34f0eb95f976028c05ceedfa228e4b2372ed47fe7ed
+docker: quay.io/biocontainers/openstructure
+aliases:
+  chemdict_tool: /usr/local/bin/chemdict_tool
+  cllayerinfo: /usr/local/bin/cllayerinfo
+  dng: /usr/local/bin/dng
+  glewinfo: /usr/local/bin/glewinfo
+  lddt: /usr/local/bin/lddt
+  molck: /usr/local/bin/molck
+  ost: /usr/local/bin/ost
+  parasail_aligner: /usr/local/bin/parasail_aligner
+  parasail_stats: /usr/local/bin/parasail_stats
+  pax11publish: /usr/local/bin/pax11publish
+  spirv-as: /usr/local/bin/spirv-as
+  spirv-cfg: /usr/local/bin/spirv-cfg
+  spirv-dis: /usr/local/bin/spirv-dis
+  spirv-lesspipe.sh: /usr/local/bin/spirv-lesspipe.sh
+  spirv-link: /usr/local/bin/spirv-link
+  spirv-lint: /usr/local/bin/spirv-lint
+  spirv-objdump: /usr/local/bin/spirv-objdump
+  spirv-opt: /usr/local/bin/spirv-opt
+  spirv-reduce: /usr/local/bin/spirv-reduce
+  spirv-val: /usr/local/bin/spirv-val
+  tmalign: /usr/local/bin/tmalign
+  tmscore: /usr/local/bin/tmscore
+  visualinfo: /usr/local/bin/visualinfo
+  voronota: /usr/local/bin/voronota
+  voronota-cadscore: /usr/local/bin/voronota-cadscore
+  voronota-contacts: /usr/local/bin/voronota-contacts
+  voronota-gl: /usr/local/bin/voronota-gl
+  voronota-js: /usr/local/bin/voronota-js
+  voronota-js-fast-iface-cadscore: /usr/local/bin/voronota-js-fast-iface-cadscore
+  voronota-js-fast-iface-cadscore-matrix: /usr/local/bin/voronota-js-fast-iface-cadscore-matrix
+  voronota-js-fast-iface-contacts: /usr/local/bin/voronota-js-fast-iface-contacts
+  voronota-js-fast-iface-data-graph: /usr/local/bin/voronota-js-fast-iface-data-graph
+  voronota-js-fast-iface-voromqa: /usr/local/bin/voronota-js-fast-iface-voromqa
+  voronota-js-ifeatures-voromqa: /usr/local/bin/voronota-js-ifeatures-voromqa
+  voronota-js-ligand-cadscore: /usr/local/bin/voronota-js-ligand-cadscore
+  voronota-js-membrane-voromqa: /usr/local/bin/voronota-js-membrane-voromqa
+  voronota-js-only-global-voromqa: /usr/local/bin/voronota-js-only-global-voromqa
+  voronota-js-pdb-utensil-detect-inter-structure-contacts: /usr/local/bin/voronota-js-pdb-utensil-detect-inter-structure-contacts
+  voronota-js-pdb-utensil-download-structure: /usr/local/bin/voronota-js-pdb-utensil-download-structure
+  voronota-js-pdb-utensil-filter-atoms: /usr/local/bin/voronota-js-pdb-utensil-filter-atoms
+  voronota-js-pdb-utensil-print-sequence-from-structure: /usr/local/bin/voronota-js-pdb-utensil-print-sequence-from-structure
+  voronota-js-pdb-utensil-rename-chains: /usr/local/bin/voronota-js-pdb-utensil-rename-chains
+  voronota-js-pdb-utensil-renumber-by-sequence: /usr/local/bin/voronota-js-pdb-utensil-renumber-by-sequence
+  voronota-js-pdb-utensil-split-to-models: /usr/local/bin/voronota-js-pdb-utensil-split-to-models
+  voronota-js-voroif-gnn: /usr/local/bin/voronota-js-voroif-gnn
+  voronota-js-voromqa: /usr/local/bin/voronota-js-voromqa
+  voronota-lt: /usr/local/bin/voronota-lt
+  voronota-membrane: /usr/local/bin/voronota-membrane
+  voronota-pocket: /usr/local/bin/voronota-pocket
+  voronota-resources: /usr/local/bin/voronota-resources
+  voronota-volumes: /usr/local/bin/voronota-volumes
+  voronota-voromqa: /usr/local/bin/voronota-voromqa
+  wayland-scanner: /usr/local/bin/wayland-scanner
+  gi-compile-repository: /usr/local/bin/gi-compile-repository
+  gi-decompile-typelib: /usr/local/bin/gi-decompile-typelib
+  gi-inspect-typelib: /usr/local/bin/gi-inspect-typelib
+  mpg123: /usr/local/bin/mpg123
+  mpg123-id3dump: /usr/local/bin/mpg123-id3dump
+  mpg123-strip: /usr/local/bin/mpg123-strip
+  out123: /usr/local/bin/out123
+  sip-build: /usr/local/bin/sip-build
+  sip-distinfo: /usr/local/bin/sip-distinfo
+  sip-install: /usr/local/bin/sip-install
+  sip-module: /usr/local/bin/sip-module
+  sip-sdist: /usr/local/bin/sip-sdist
+  sip-wheel: /usr/local/bin/sip-wheel
+  balsam: /usr/local/bin/balsam
+  lprodump: /usr/local/bin/lprodump
+  lrelease-pro: /usr/local/bin/lrelease-pro
+  lupdate-pro: /usr/local/bin/lupdate-pro
+  meshdebug: /usr/local/bin/meshdebug
+  qmlformat: /usr/local/bin/qmlformat
+  qmltime: /usr/local/bin/qmltime
+  qmltyperegistrar: /usr/local/bin/qmltyperegistrar
+  tracegen: /usr/local/bin/tracegen
+  lame: /usr/local/bin/lame
+  pa-info: /usr/local/bin/pa-info

quay.io/biocontainers/quaqc/container.yaml

@@ -0,0 +1,14 @@
+url: https://biocontainers.pro/tools/quaqc
+maintainer: '@vsoch'
+description: singularity registry hpc automated addition for quaqc
+latest:
+  1.3d--h577a1d6_0: sha256:6a3a5c6afaea221e2087aa9a54a2a0a9ff755668299b48699cb81285639a46fa
+tags:
+  1.3d--h577a1d6_0: sha256:6a3a5c6afaea221e2087aa9a54a2a0a9ff755668299b48699cb81285639a46fa
+docker: quay.io/biocontainers/quaqc
+aliases:
+  quaqc: /usr/local/bin/quaqc
+  annot-tsv: /usr/local/bin/annot-tsv
+  htsfile: /usr/local/bin/htsfile
+  bgzip: /usr/local/bin/bgzip
+  tabix: /usr/local/bin/tabix

quay.io/biocontainers/scripps-msms/container.yaml

@@ -0,0 +1,12 @@
+url: https://biocontainers.pro/tools/scripps-msms
+maintainer: '@vsoch'
+description: singularity registry hpc automated addition for scripps-msms
+latest:
+  2.6.1--h9ee0642_0: sha256:5946560ae7b34324f4929c71e598976b36aee7a473ad2a8133ee76fa70421c6f
+tags:
+  2.6.1--h9ee0642_0: sha256:5946560ae7b34324f4929c71e598976b36aee7a473ad2a8133ee76fa70421c6f
+docker: quay.io/biocontainers/scripps-msms
+aliases:
+  msms: /usr/local/bin/msms
+  pdb_to_xyzr: /usr/local/bin/pdb_to_xyzr
+  pdb_to_xyzrn: /usr/local/bin/pdb_to_xyzrn

quay.io/biocontainers/sigprofilerextractor/container.yaml

@@ -0,0 +1,45 @@
+url: https://biocontainers.pro/tools/sigprofilerextractor
+maintainer: '@vsoch'
+description: singularity registry hpc automated addition for sigprofilerextractor
+latest:
+  1.2.1--pyhdfd78af_0: sha256:4645554aef7f52c03fd17ec204f03522616caf365ec859b31a0ec12281c1db52
+tags:
+  1.2.1--pyhdfd78af_0: sha256:4645554aef7f52c03fd17ec204f03522616caf365ec859b31a0ec12281c1db52
+docker: quay.io/biocontainers/sigprofilerextractor
+aliases:
+  SigProfilerAssignment: /usr/local/bin/SigProfilerAssignment
+  SigProfilerExtractor: /usr/local/bin/SigProfilerExtractor
+  SigProfilerMatrixGenerator: /usr/local/bin/SigProfilerMatrixGenerator
+  SigProfilerPlotting: /usr/local/bin/SigProfilerPlotting
+  protoc-29.3.0: /usr/local/bin/protoc-29.3.0
+  protoc-gen-upb: /usr/local/bin/protoc-gen-upb
+  protoc-gen-upb-29.3.0: /usr/local/bin/protoc-gen-upb-29.3.0
+  protoc-gen-upb_minitable: /usr/local/bin/protoc-gen-upb_minitable
+  protoc-gen-upb_minitable-29.3.0: /usr/local/bin/protoc-gen-upb_minitable-29.3.0
+  protoc-gen-upbdefs: /usr/local/bin/protoc-gen-upbdefs
+  protoc-gen-upbdefs-29.3.0: /usr/local/bin/protoc-gen-upbdefs-29.3.0
+  torchfrtrace: /usr/local/bin/torchfrtrace
+  pybind11-config: /usr/local/bin/pybind11-config
+  torch_shm_manager: /usr/local/bin/torch_shm_manager
+  pdfsig: /usr/local/bin/pdfsig
+  pdfattach: /usr/local/bin/pdfattach
+  pdfdetach: /usr/local/bin/pdfdetach
+  pdffonts: /usr/local/bin/pdffonts
+  pdfimages: /usr/local/bin/pdfimages
+  pdfinfo: /usr/local/bin/pdfinfo
+  pdfseparate: /usr/local/bin/pdfseparate
+  pdftocairo: /usr/local/bin/pdftocairo
+  pdftohtml: /usr/local/bin/pdftohtml
+  pdftoppm: /usr/local/bin/pdftoppm
+  pdftops: /usr/local/bin/pdftops
+  pdftotext: /usr/local/bin/pdftotext
+  pdfunite: /usr/local/bin/pdfunite
+  isympy: /usr/local/bin/isympy
+  torchrun: /usr/local/bin/torchrun
+  qconvex: /usr/local/bin/qconvex
+  qdelaunay: /usr/local/bin/qdelaunay
+  qhalf: /usr/local/bin/qhalf
+  qhull: /usr/local/bin/qhull
+  qvoronoi: /usr/local/bin/qvoronoi
+  rbox: /usr/local/bin/rbox
+  idle3.13: /usr/local/bin/idle3.13