diff --git a/ansible/roles/compiled/README.md b/ansible/roles/compiled/README.md index 6bf3624b..c718bfcf 100644 --- a/ansible/roles/compiled/README.md +++ b/ansible/roles/compiled/README.md @@ -31,10 +31,10 @@ Software Categories ### Bioinformatics (`bio/`) - **Analysis Tools**: SAMtools, BCFtools, GATK, VEP, Picard -- **Aligners**: BWA, Bowtie2, STAR, Minimap2, HISAT2 +- **Aligners**: BWA, Bowtie2, STAR, Minimap2, HISAT2, MashMap - **Quality Control**: FastQC, MultiQC, TrimGalore - **Variant Calling**: Manta, ExpansionHunter, CNVkit -- **Assembly**: Hifiasm, vg, wfmash +- **Assembly**: Hifiasm, vg, wfmash, verkko-fillet - **Population Genetics**: PLINK, Shapeit5, IMPUTE5, GLIMPSE ### Common Software (`common/`) diff --git a/ansible/roles/compiled/files/uv/bio/verkko-fillet/0.1.25/pyproject.toml b/ansible/roles/compiled/files/uv/bio/verkko-fillet/0.1.25/pyproject.toml new file mode 100644 index 00000000..024b91c0 --- /dev/null +++ b/ansible/roles/compiled/files/uv/bio/verkko-fillet/0.1.25/pyproject.toml @@ -0,0 +1,29 @@ +[project] +name = "ilifu-verkko-fillet" +version = "0.1.0" +# Upper bound pins the python3.12 path segment that the Lmod module prepends to +# PATH (verkkofillet ships its CLI scripts inside site-packages, not as entry +# points, so the interpreter version is baked into that path). +requires-python = ">=3.12,<3.13" +# verkkofillet declares an empty install_requires and has no entry points, so +# every runtime dependency below was derived by grepping src/verkkofillet for +# third-party imports. Do not use the upstream requirements.txt - it is a Sphinx +# docs list concatenated with a pip freeze of the author's whole environment. +dependencies = [ + "verkkofillet==0.1.25", + "biopython", + "ipykernel", + "ipython", + "matplotlib", + "natsort", + "networkx", + "numpy", + "packaging", + "pandas", + "pillow", + "plotly", + "scikit-learn", + "seaborn", + "session-info", + "tqdm", +] diff --git a/ansible/roles/compiled/files/uv/bio/verkko-fillet/0.1.25/uv.lock b/ansible/roles/compiled/files/uv/bio/verkko-fillet/0.1.25/uv.lock new file mode 100644 index 00000000..5ab89c07 --- /dev/null +++ b/ansible/roles/compiled/files/uv/bio/verkko-fillet/0.1.25/uv.lock @@ -0,0 +1,813 @@ +version = 1 +revision = 3 +requires-python = "==3.12.*" +resolution-markers = [ + "sys_platform == 'win32'", + "sys_platform == 'emscripten'", + "sys_platform != 'emscripten' and sys_platform != 'win32'", +] + +[[package]] +name = "appnope" +version = "0.1.4" +source = { registry = "https://pypi.org/simple" } 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diff --git a/ansible/roles/compiled/tasks/bio/main.yml b/ansible/roles/compiled/tasks/bio/main.yml index 37f7d991..aa81f12d 100644 --- a/ansible/roles/compiled/tasks/bio/main.yml +++ b/ansible/roles/compiled/tasks/bio/main.yml @@ -623,6 +623,9 @@ - version_number: "2.24" url: "https://github.com/lh3/minimap2/releases/download/v2.24/minimap2-2.24_x64-linux.tar.bz2" checksum: "sha512:5e27233f75d0ae776707c4b56d43925c0f0f2a25b868e18d43d1a33b67fb730013df04ca881949859d22667aba803681ee0da1c95b01ce0d3dcb7458b12603d9" + - version_number: "2.28" + url: "https://github.com/lh3/minimap2/releases/download/v2.28/minimap2-2.28_x64-linux.tar.bz2" + checksum: "sha256:51f2cf0e486d0f9f88ace1aa58fdc56571382a676ea0889ae607301c60693377" ansible.builtin.include_tasks: file: "minimap2.yaml" loop: "{{ versions }}" @@ -880,6 +883,59 @@ - never - seqkit +- name: Install seqtk + vars: + versions: + - version_number: "1.5" + url: "https://github.com/lh3/seqtk/archive/refs/tags/v1.5.tar.gz" + checksum: "sha256:384aa1e3cecf4f70403839d586cbb29d469b7c6f773a64bc5af48a6e4b8220a6" + ansible.builtin.include_tasks: + file: "seqtk.yaml" + loop: "{{ versions }}" + tags: + - never + - seqtk + +- name: Install mashmap + vars: + versions: + - version_number: "3.1.3" + url: "https://github.com/marbl/MashMap/archive/refs/tags/v3.1.3.tar.gz" + checksum: "sha256:7719dd6b3c25e650e16218252eaae7dbf424a10890d717ec3ad0920b102fd05a" + cmake_dir: "{{ common_dir }}/cmake/3.27.0" + gsl_dir: "{{ common_dir }}/libgsl/2.7.1" + gsl_version: "2.7.1" + htslib_dir: "{{ bio_dir }}/htslib/1.22.1" + htslib_version: "1.22.1" + ansible.builtin.include_tasks: + file: "mashmap.yaml" + loop: "{{ versions }}" + tags: + - never + - mashmap + +- name: Install verkko-fillet + vars: + versions: + - version_number: "0.1.25" + python_location: "/software/common/python/3.12.9" + # Must match the interpreter above - it is the site-packages path + # segment the module prepends to PATH. + python_abi: "python3.12" + samtools_module: "samtools/1.22.1" + htslib_module: "htslib/1.22.1" + seqtk_module: "seqtk/1.5" + mashmap_module: "mashmap/3.1.3" + bedtools_module: "bedtools/2.31.1" + meryl_module: "meryl/1.4.1" + minimap2_module: "minimap2/2.28" + ansible.builtin.include_tasks: + file: "verkko-fillet.yaml" + loop: "{{ versions }}" + tags: + - never + - verkko-fillet + - name: Install chopper vars: versions: diff --git a/ansible/roles/compiled/tasks/bio/mashmap.yaml b/ansible/roles/compiled/tasks/bio/mashmap.yaml new file mode 100644 index 00000000..dd9ca992 --- /dev/null +++ b/ansible/roles/compiled/tasks/bio/mashmap.yaml @@ -0,0 +1,79 @@ +--- +- name: Install mashmap {{ item.version_number }} + vars: + mashmap_dir: "{{ bio_dir }}/mashmap" + mashmap_module_dir: "{{ bio_modules }}/mashmap" + url: "{{ item.url }}" + version_number: "{{ item.version_number }}" + checksum: "{{ item.checksum }}" + install_dir: "{{ mashmap_dir }}/{{ version_number }}" + unzip_dir: "/dev/shm/MashMap-{{ version_number }}" + cmake_bin: "{{ item.cmake_dir }}/bin/cmake" + gsl: "{{ item.gsl_dir }}" + htslib: "{{ item.htslib_dir }}" + tags: + - never + - mashmap{{ item.version_number }} + + block: + - name: Download and install mashmap {{ version_number }} + block: + - name: Download mashmap {{ version_number }} from {{ url }} + ansible.builtin.get_url: + url: "{{ url }}" + dest: "{{ bio_src }}/mashmap-{{ version_number }}.tar.gz" + checksum: "{{ checksum }}" + mode: u=rw,g=r,o=r + - name: Ensure mashmap bin dir exists {{ install_dir }} + ansible.builtin.file: + path: "{{ install_dir }}/bin" + state: directory + mode: u=rwx,g=rwx,o=rx + - name: Uncompress mashmap to {{ unzip_dir }} + ansible.builtin.unarchive: + src: "{{ bio_src }}/mashmap-{{ version_number }}.tar.gz" + dest: "/dev/shm" + creates: "{{ unzip_dir }}" + # MashMap needs C++17, CMake >= 3.21, GSL, zlib and htslib. The GSL and + # htslib module trees are injected below rather than relying on system + # copies, so the build is reproducible on any host. + - name: Run cmake for mashmap {{ version_number }} + ansible.builtin.shell: "{{ cmake_bin }} -H. -DCMAKE_BUILD_TYPE=Release -DCMAKE_INSTALL_PREFIX:PATH={{ install_dir }} -Bbuild ." + args: + chdir: "{{ unzip_dir }}" + creates: "{{ unzip_dir }}/build/Makefile" + environment: &mashmap_build_env + LD_LIBRARY_PATH: "{{ gsl }}/lib:{{ htslib }}/lib:{{ ansible_env.LD_LIBRARY_PATH | default('') }}" + LIBRARY_PATH: "{{ gsl }}/lib:{{ htslib }}/lib:{{ ansible_env.LIBRARY_PATH | default('') }}" + INCLUDE: "{{ gsl }}/include:{{ htslib }}/include:{{ ansible_env.INCLUDE | default('') }}" + C_INCLUDE_PATH: "{{ gsl }}/include:{{ htslib }}/include:{{ ansible_env.C_INCLUDE_PATH | default('') }}" + CPATH: "{{ gsl }}/include:{{ htslib }}/include:{{ ansible_env.CPATH | default('') }}" + PKG_CONFIG_PATH: "{{ gsl }}/lib/pkgconfig:{{ htslib }}/lib/pkgconfig:{{ ansible_env.PKG_CONFIG_PATH | default('') }}" + - name: Run cmake build for mashmap {{ version_number }} + ansible.builtin.shell: "{{ cmake_bin }} --build build -- -j {{ ansible_processor_vcpus }}" + args: + chdir: "{{ unzip_dir }}" + creates: "{{ unzip_dir }}/build/bin/mashmap" + environment: *mashmap_build_env + # MashMap's CMakeLists has no reliable install target; upstream INSTALL.txt + # documents build/bin/mashmap as the product, so copy it out directly. + - name: Copy mashmap {{ version_number }} binary to {{ install_dir }} + ansible.builtin.copy: + src: "{{ unzip_dir }}/build/bin/mashmap" + dest: "{{ install_dir }}/bin/mashmap" + remote_src: true + force: true + mode: preserve + + - name: Install mashmap module {{ version_number }} + block: + - name: Check module dir {{ mashmap_module_dir }} + ansible.builtin.file: + path: "{{ mashmap_module_dir }}" + state: directory + mode: u=rwx,g=rwx,o=rx + - name: Install mashmap module file {{ version_number }} + ansible.builtin.template: + src: bio/mashmap.lua + dest: "{{ mashmap_module_dir }}/{{ version_number }}.lua" + mode: u=rw,g=r,o=r diff --git a/ansible/roles/compiled/tasks/bio/seqtk.yaml b/ansible/roles/compiled/tasks/bio/seqtk.yaml new file mode 100644 index 00000000..39d8af8d --- /dev/null +++ b/ansible/roles/compiled/tasks/bio/seqtk.yaml @@ -0,0 +1,60 @@ +--- +- name: Install seqtk {{ item.version_number }} + vars: + seqtk_dir: "{{ bio_dir }}/seqtk" + seqtk_module_dir: "{{ bio_modules }}/seqtk" + url: "{{ item.url }}" + version_number: "{{ item.version_number }}" + checksum: "{{ item.checksum }}" + install_dir: "{{ seqtk_dir }}/{{ version_number }}" + unzip_dir: "/dev/shm/seqtk-{{ version_number }}" + tags: + - never + - seqtk{{ item.version_number }} + + block: + - name: Download and install seqtk {{ version_number }} + block: + - name: Download seqtk {{ version_number }} from {{ url }} + ansible.builtin.get_url: + url: "{{ url }}" + dest: "{{ bio_src }}/seqtk-{{ version_number }}.tar.gz" + checksum: "{{ checksum }}" + mode: u=rw,g=r,o=r + - name: Ensure seqtk bin dir exists {{ install_dir }} + ansible.builtin.file: + path: "{{ install_dir }}/bin" + state: directory + mode: u=rwx,g=rwx,o=rx + - name: Uncompress seqtk to {{ unzip_dir }} + ansible.builtin.unarchive: + src: "{{ bio_src }}/seqtk-{{ version_number }}.tar.gz" + dest: "/dev/shm" + creates: "{{ unzip_dir }}" + # seqtk ships a bare Makefile with no configure and no install target, + # so the binary is built in place and copied out by hand. + - name: Make seqtk {{ version_number }} + community.general.make: + chdir: "{{ unzip_dir }}" + environment: + MAKEFLAGS: "-j {{ ansible_processor_vcpus }}" + - name: Copy seqtk {{ version_number }} binary to {{ install_dir }} + ansible.builtin.copy: + src: "{{ unzip_dir }}/seqtk" + dest: "{{ install_dir }}/bin/seqtk" + remote_src: true + force: true + mode: preserve + + - name: Install seqtk module {{ version_number }} + block: + - name: Check module dir {{ seqtk_module_dir }} + ansible.builtin.file: + path: "{{ seqtk_module_dir }}" + state: directory + mode: u=rwx,g=rwx,o=rx + - name: Install seqtk module file {{ version_number }} + ansible.builtin.template: + src: bio/seqtk.lua + dest: "{{ seqtk_module_dir }}/{{ version_number }}.lua" + mode: u=rw,g=r,o=r diff --git a/ansible/roles/compiled/tasks/bio/verkko-fillet.yaml b/ansible/roles/compiled/tasks/bio/verkko-fillet.yaml new file mode 100644 index 00000000..f0a42f1a --- /dev/null +++ b/ansible/roles/compiled/tasks/bio/verkko-fillet.yaml @@ -0,0 +1,54 @@ +--- +- name: Install verkko-fillet + vars: + verkko_fillet_dir: "{{ bio_dir }}/verkko-fillet" + verkko_fillet_module_dir: "{{ bio_modules }}/verkko-fillet" + install_dir: "{{ verkko_fillet_dir }}/{{ item.version_number }}" + python_location: "{{ item.python_location }}" + python_abi: "{{ item.python_abi }}" + version_number: "{{ item.version_number }}" + tags: + - never + - verkko-fillet{{ item.version_number }} + + block: + - name: Create verkko-fillet directory {{ install_dir }} + ansible.builtin.file: + path: "{{ install_dir }}" + state: directory + mode: "ug=rwx,o=rx" + recurse: true + + - name: Copy uv files + ansible.builtin.copy: + src: "uv/bio/verkko-fillet/{{ version_number }}/{{ uv_file }}" + dest: "{{ install_dir }}/{{ uv_file }}" + mode: u=rw,g=r,o=r + with_items: + - "uv.lock" + - "pyproject.toml" + loop_control: + loop_var: uv_file + + - name: Initialise virtual environment + ansible.builtin.command: "{{ python_location }}/bin/uv venv" + args: + chdir: "{{ install_dir }}" + creates: "{{ install_dir }}/.venv" + + - name: Synchronise Virtual Environment + ansible.builtin.command: "{{ python_location }}/bin/uv sync --frozen" + args: + chdir: "{{ install_dir }}" + + - name: Create verkko-fillet module directory {{ verkko_fillet_module_dir }} + ansible.builtin.file: + path: "{{ verkko_fillet_module_dir }}" + state: directory + mode: "ug=rwx,o=rx" + + - name: Install verkko-fillet module file + ansible.builtin.template: + src: bio/verkko-fillet.lua + dest: "{{ verkko_fillet_module_dir }}/{{ version_number }}.lua" + mode: u=rw,g=r,o=r diff --git a/ansible/roles/compiled/templates/bio/mashmap.lua b/ansible/roles/compiled/templates/bio/mashmap.lua new file mode 100644 index 00000000..b9cf4056 --- /dev/null +++ b/ansible/roles/compiled/templates/bio/mashmap.lua @@ -0,0 +1,17 @@ +-- -*- lua -*- +help([[ +This module configures mashmap {{ version_number }} for use + +MashMap is a fast approximate long-read and assembly mapper. +]]) +whatis("Version: {{ version_number }}") +whatis("Keywords: mashmap, alignment, mapping") +whatis("Description: mashmap {{ version_number }} - fast approximate sequence mapper") + +-- mashmap links against the shared GSL and htslib libraries it was built with. +depends_on("libgsl/{{ item.gsl_version }}", "htslib/{{ item.htslib_version }}") + +local mashmap_dir = "{{ install_dir }}" +local bin_dir = pathJoin(mashmap_dir, "bin") + +prepend_path('PATH', bin_dir) diff --git a/ansible/roles/compiled/templates/bio/seqtk.lua b/ansible/roles/compiled/templates/bio/seqtk.lua new file mode 100644 index 00000000..0f6e4b99 --- /dev/null +++ b/ansible/roles/compiled/templates/bio/seqtk.lua @@ -0,0 +1,12 @@ +-- -*- lua -*- +help([[ +This module configures seqtk {{ version_number }} for use +]]) +whatis("Version: {{ version_number }}") +whatis("Keywords: seqtk, fasta, fastq") +whatis("Description: seqtk {{ version_number }} - toolkit for processing FASTA/Q sequences") + +local seqtk_dir = "{{ install_dir }}" +local bin_dir = pathJoin(seqtk_dir, "bin") + +prepend_path('PATH', bin_dir) diff --git a/ansible/roles/compiled/templates/bio/verkko-fillet.lua b/ansible/roles/compiled/templates/bio/verkko-fillet.lua new file mode 100644 index 00000000..8f54b33e --- /dev/null +++ b/ansible/roles/compiled/templates/bio/verkko-fillet.lua @@ -0,0 +1,42 @@ +-- -*- lua -*- +help([[ +This module configures verkko-fillet {{ version_number }} for use + +verkko-fillet is a toolkit for cleaning Verkko genome assemblies. It is driven +primarily from Python (typically in Jupyter): + + import verkkofillet as vf + +The external tools it shells out to (mashmap, samtools, bgzip, seqtk, bedtools, +meryl, minimap2) are loaded automatically with this module. + +Known limitations on this cluster: + * screenAssembly() will not work - it needs a full verkko installation on + PATH (for lib/verkko/scripts and its bundled contaminant references), and + verkko is not currently packaged here. + * graphAlign() needs GraphAligner, which is not packaged here. Its location is + a runtime parameter (GraphAligner_path), so an external build can be passed in. + * Dot plots need gnuplot, which is only available as a container here. The call + site checks for it and degrades gracefully. +]]) +whatis("Version: {{ version_number }}") +whatis("Keywords: verkko-fillet, verkko, assembly, genomics") +whatis("Description: verkko-fillet {{ version_number }} - toolkit for cleaning Verkko assemblies") + +-- verkkofillet declares no dependencies of its own and shells out to these at +-- runtime. bgzip comes from htslib, not from the samtools tarball. +depends_on("{{ item.samtools_module }}", + "{{ item.htslib_module }}", + "{{ item.seqtk_module }}", + "{{ item.mashmap_module }}", + "{{ item.bedtools_module }}", + "{{ item.meryl_module }}", + "{{ item.minimap2_module }}") + +local venv_dir = pathJoin("{{ install_dir }}", ".venv") +-- verkkofillet ships no console entry points; its CLI scripts live inside the +-- installed package, so that directory goes on PATH explicitly. +local script_dir = pathJoin(venv_dir, "lib", "{{ python_abi }}", "site-packages", "verkkofillet", "bin") + +prepend_path('PATH', pathJoin(venv_dir, "bin")) +prepend_path('PATH', script_dir)