diff --git a/.gitignore b/.gitignore index 17e708b3152da298ad47c73921399accf781c0b9..8322a22c45ee808a8977728bf23eb989233aab79 100644 --- a/.gitignore +++ b/.gitignore @@ -1,87 +1,4 @@ -# Byte-compiled / optimized / DLL files __pycache__/ -*.py[cod] -*$py.class - -# C extensions -*.so - -# Distribution / packaging -.Python -build/ -develop-eggs/ -dist/ -downloads/ -eggs/ -.eggs/ -lib/ -lib64/ -parts/ -sdist/ -var/ -wheels/ -*.egg-info/ -.installed.cfg -*.egg -MANIFEST - -# PyInstaller -# Usually these files are written by a python script from a template -# before PyInstaller builds the exe, so as to inject date/other infos into it. -*.manifest -*.spec - -# Installer logs -pip-log.txt -pip-delete-this-directory.txt - -# Unit test / coverage reports -htmlcov/ -.tox/ -.coverage -.coverage.* -.cache -nosetests.xml -coverage.xml -*.cover -.hypothesis/ -.pytest_cache/ - -# Translations -*.mo -*.pot - -# Django stuff: -*.log -local_settings.py -db.sqlite3 - -# Flask stuff: -instance/ -.webassets-cache - -# Scrapy stuff: -.scrapy - -# Sphinx documentation -docs/_build/ - -# PyBuilder -target/ - -# Jupyter Notebook -.ipynb_checkpoints - -# pyenv -.python-version - -# celery beat schedule file -celerybeat-schedule - -# SageMath parsed files -*.sage.py - -# Environments .env .venv env/ @@ -89,19 +6,5 @@ venv/ ENV/ env.bak/ venv.bak/ - -# Spyder project settings -.spyderproject -.spyproject - -# Rope project settings -.ropeproject - -# mkdocs documentation -/site - -# mypy -.mypy_cache/ - -# IDE stuff -.idea \ No newline at end of file +.idea +config_phaeoexplorer* \ No newline at end of file diff --git a/README.md b/README.md index b42380817344c2187c916b95e0df4b9fc7d3ec3f..a2c34320842cb320264298e323c3535caf16fa84 100755 --- a/README.md +++ b/README.md @@ -80,7 +80,9 @@ For each input organism, the tool works in three parts (1 part = 1 separate scri **The first two parts are required to set up a functional GGA stack** **Part 1)** + 1) Create the directory tree structure (if it already exists, only create the required subdirectories) + 2) Create the docker-compose file for the organism and deploy the stack of services. @@ -88,14 +90,21 @@ For each input organism, the tool works in three parts (1 part = 1 separate scri before calling the other scripts** **Part 2)** + 3) Gather source data files as specified in the input, can recursively search the directory (fully automated for local phaeoexplorer data) + 4) Link the source files to the organism correct src_data folders and load the data into the galaxy container *(Optional)* **Part 3)** + 5) (*Optional*) Modify headers in the transcripts and protein fasta files + 6) (*Optional*) TODO: Generate blast banks (no commit) + 7) (*Optional*) Connect to the galaxy instance + 8) (*Optional*) Run data integration galaxy steps (see @ http://gitlab.sb-roscoff.fr/abims/e-infra/gga) + 9) (*Optional*) TODO: Generate and update metadata files ## Usage: diff --git a/gga_init.py b/gga_init.py index c1ef9f2c0c7b3321772a206daf2fb316f46687b4..817ffc1c46b859edf85899ca28db4cb3213b05e0 100644 --- a/gga_init.py +++ b/gga_init.py @@ -1,7 +1,6 @@ #!/usr/bin/python # -*- coding: utf-8 -*- - import argparse import os import subprocess @@ -233,6 +232,7 @@ if __name__ == "__main__": else: logging.basicConfig(level=logging.INFO) + # Parsing the config file if provided, using the default config otherwise if not args.config: args.config = os.path.join(os.path.dirname(os.path.realpath(sys.argv[0])), "config") else: diff --git a/gga_load_data.py b/gga_load_data.py index 8054d416e2662fe87631b07e9df7ff4bb0e6f0e8..cc7a6e79e1777a7b47c512ce6c6da7e25f41edcd 100644 --- a/gga_load_data.py +++ b/gga_load_data.py @@ -592,8 +592,7 @@ if __name__ == "__main__": else: logging.basicConfig(level=logging.INFO) - # Parsing the config file if provided, using the default config otherwise (if there is no config inside the - # repository + # Parsing the config file if provided, using the default config otherwise if not args.config: args.config = os.path.join(os.path.dirname(os.path.realpath(sys.argv[0])), "config") else: diff --git a/run_workflow_phaeoexplorer.py b/run_workflow_phaeoexplorer.py index 6bc6bcebea216974673145fe56dc331714a64a96..cd86e3759a4ec794d9e6c5bc39238102393f3682 100644 --- a/run_workflow_phaeoexplorer.py +++ b/run_workflow_phaeoexplorer.py @@ -222,7 +222,7 @@ class RunWorkflow(speciesData.SpeciesData): custom_ga_file_path = os.path.abspath(custom_ga_file) with open(workflow_ga_file, 'r') as ga_in_file: workflow = str(ga_in_file.readlines()) - # ugly fix for the jbrowse parameters + # Ugly fix for the jbrowse parameters workflow = workflow.replace('{\\\\\\\\\\\\"unique_id\\\\\\\\\\\\": \\\\\\\\\\\\"UNIQUE_ID\\\\\\\\\\\\"}', str('{\\\\\\\\\\\\"unique_id\\\\\\\\\\\\": \\\\\\\\\\\\"' + self.genus + " " + self.species) + '\\\\\\\\\\\\"') workflow = workflow.replace('\\\\\\\\\\\\"name\\\\\\\\\\\\": \\\\\\\\\\\\"NAME\\\\\\\\\\\\"', @@ -234,7 +234,7 @@ class RunWorkflow(speciesData.SpeciesData): # TODO: Uncomment next lines in production # workflow = workflow.replace('http://localhost/sp/genus_species/feature/Genus/species/mRNA/{id}', - # "http://abims--gga.sb-roscoff.fr/sp/" + self.genus_lowercase + "_" + self.species + "/feature/" + self.genus + "/mRNA/{id}") + # "http://abims-gga.sb-roscoff.fr/sp/" + self.genus_lowercase + "_" + self.species + "/feature/" + self.genus + "/mRNA/{id}") workflow = workflow[2:-2] # if the line under doesn't output a correct json # workflow = workflow[:-2] # if the line above doesn't output a correct json @@ -318,7 +318,15 @@ if __name__ == "__main__": parser.add_argument("-v", "--verbose", help="Increase output verbosity", - action="store_false") + action="store_true") + + parser.add_argument("--config", + type=str, + help="Config path, default to the 'config' file inside the script repository") + + parser.add_argument("--main-directory", + type=str, + help="Where the stack containers will be located, defaults to working directory") args = parser.parse_args() @@ -327,51 +335,73 @@ if __name__ == "__main__": else: logging.basicConfig(level=logging.INFO) - logging.info("Start") + # Parsing the config file if provided, using the default config otherwise + if not args.config: + args.config = os.path.join(os.path.dirname(os.path.realpath(sys.argv[0])), "config") + else: + args.config = os.path.abspath(args.config) + + if not args.main_directory: + args.main_directory = os.getcwd() + else: + args.main_directory = os.path.abspath(args.main_directory) + sp_dict_list = utilities.parse_input(args.input) for sp_dict in sp_dict_list: + + # Creating an instance of the RunWorkflow object for the current organism run_workflow_for_current_organism = RunWorkflow(parameters_dictionary=sp_dict) + + + # Starting + logging.info("run_workflow.py called for %s" % run_workflow_for_current_organism.full_name) + run_workflow_for_current_organism.main_dir = os.path.abspath(args.dir) - if args.init_instance: - logging.info(" Initializing the galaxy instance") - run_workflow_for_current_organism.init_instance() - run_workflow_for_current_organism.get_instance_attributes() - # metadata[genus_species_strain_sex]["initialized"] = True - if args.load_data: - logging.info("Loading data into galaxy") - # run_workflow_for_current_organism.load_data() - # metadata[genus_species_strain_sex]["data_loaded_in_instance"] = True - if args.run_main: - logging.info("Running main workflow") - run_workflow_for_current_organism.get_organism_and_analyses_ids() - workflow_parameters = dict() - load_fasta_dataset="0" - - # TODO: Add a name for each parameter - workflow_parameters[load_fasta_dataset] = {} - workflow_parameters["1"] = {} - workflow_parameters["2"] = {} - workflow_parameters["3"] = {} - workflow_parameters["4"] = {"organism": run_workflow_for_current_organism.org_id, - "analysis_id": run_workflow_for_current_organism.genome_analysis_id, - "do_update": "true"} - workflow_parameters["5"] = {"organism": run_workflow_for_current_organism.org_id, - "analysis_id": run_workflow_for_current_organism.ogs_analysis_id} - workflow_parameters["6"] = {"organism_id": run_workflow_for_current_organism.org_id} - workflow_parameters["7"] = {"analysis_id": run_workflow_for_current_organism.ogs_analysis_id} - workflow_parameters["8"] = {"analysis_id": run_workflow_for_current_organism.genome_analysis_id} - workflow_parameters["9"] = {"organism_id": run_workflow_for_current_organism.org_id} - workflow_parameters["10"] = {} - workflow_parameters["11"] = {} - - run_workflow_for_current_organism.datamap = dict() - run_workflow_for_current_organism.datamap["0"] = {"src": "hda", "id": run_workflow_for_current_organism.datasets["genome_file"]} - run_workflow_for_current_organism.datamap["1"] = {"src": "hda", "id": run_workflow_for_current_organism.datasets["gff_file"]} - run_workflow_for_current_organism.datamap["2"] = {"src": "hda", "id": run_workflow_for_current_organism.datasets["proteins_file"]} - run_workflow_for_current_organism.datamap["3"] = {"src": "hda", "id": run_workflow_for_current_organism.datasets["transcripts_file"]} - - run_workflow_for_current_organism.run_workflow(workflow_name="main", - workflow_parameters=workflow_parameters, - datamap=run_workflow_for_current_organism.datamap) - # metadata[genus_species_strain_sex]["workflows_run"] = metadata[genus_species_strain_sex]["workflows_run"].append("main") + + + base_workflow_parameters = dict() + + # Explicit workflow parameter names + # TODO: Use an external mapping file instead ? + + # TODO: Add a name for each parameter (explicit parameters) + + # Base worflow (loading data in chado and first sync into tripal) + param_load_file_in_history = "0", "1", "2", "3" + param_load_fasta_in_chado = "4" + param_load_gff_in_chado = "5" + param_sync_organisms_into_tripal = "6" + param_sync_genome_analysis_into_tripal = "7" + param_sync_ogs_analysis_into_tripal = "8" + param_sync_features_intro_tripal = "9" + + + workflow_parameters[param_load_file_in_history] = {} + workflow_parameters[param_load_file_in_history] = {} + workflow_parameters[param_load_file_in_history] = {} + workflow_parameters[param_load_file_in_history] = {} + workflow_parameters[param_load_fasta_in_chado] = {"organism": run_workflow_for_current_organism.org_id, + "analysis_id": run_workflow_for_current_organism.genome_analysis_id, + "do_update": "true"} + workflow_parameters[param_load_gff_in_chado] = {"organism": run_workflow_for_current_organism.org_id, + "analysis_id": run_workflow_for_current_organism.ogs_analysis_id} + workflow_parameters[param_sync_organisms_into_tripal] = {"organism_id": run_workflow_for_current_organism.org_id} + workflow_parameters[param_sync_genome_analysis_into_tripal] = {"analysis_id": run_workflow_for_current_organism.ogs_analysis_id} + workflow_parameters[param_sync_ogs_analysis_into_tripal] = {"analysis_id": run_workflow_for_current_organism.genome_analysis_id} + workflow_parameters[param_sync_features_intro_tripal] = {"organism_id": run_workflow_for_current_organism.org_id} + + # Loading files into history works a bit different as it is not a GMOD tool + # It requires an additional "datamap", requiring the source of the file and its id (unique) + run_workflow_for_current_organism.datamap = dict() + run_workflow_for_current_organism.datamap[param_load_file_in_history] = {"src": "hda", "id": run_workflow_for_current_organism.datasets["genome_file"]} + run_workflow_for_current_organism.datamap[param_load_file_in_history] = {"src": "hda", "id": run_workflow_for_current_organism.datasets["gff_file"]} + run_workflow_for_current_organism.datamap[param_load_file_in_history] = {"src": "hda", "id": run_workflow_for_current_organism.datasets["proteins_file"]} + run_workflow_for_current_organism.datamap[param_load_file_in_history] = {"src": "hda", "id": run_workflow_for_current_organism.datasets["transcripts_file"]} + + run_workflow_for_current_organism.run_workflow(workflow_name="base", + workflow_parameters=workflow_parameters, + datamap=run_workflow_for_current_organism.datamap) + + # WIP: metadata + # metadata[genus_species_strain_sex]["workflows_run"] = metadata[genus_species_strain_sex]["workflows_run"].append("main") diff --git a/templates/compose_template.yml b/templates/compose_template.yml index c0462ec28ba04a7843c9bfa3a54a74b6ad981f4b..af55190d6cf0111cd3602b86e03869a4352547c3 100644 --- a/templates/compose_template.yml +++ b/templates/compose_template.yml @@ -55,8 +55,8 @@ services: ENABLE_GO: 0 ENABLE_ORTHOLOGY: 0 ENABLE_ORTHOLOGY_LINKS: 0 - # THEME: "abims" # Use this to use another theme - # THEME_GIT_CLONE: "http://gitlab.sb-roscoff.fr/abims/e-infra/tripal_abims.git" # Use this to install another theme + THEME: "abims" # Use this to use another theme + THEME_GIT_CLONE: "http://gitlab.sb-roscoff.fr/abims/e-infra/tripal_abims.git" # Use this to install another theme ADMIN_PASSWORD: custom_tripal_admin_password # You need to define it and update it in galaxy config below networks: - traefikbig diff --git a/workflows/Galaxy-Workflow-preset_workflow.ga b/workflows/Galaxy-Workflow-preset_workflow.ga index 5291ff05d3d4c08323ef767cc80bbed4a3f4942b..5af63fe6b9d4a3d16990801670a5c2e86ebba768 100644 --- a/workflows/Galaxy-Workflow-preset_workflow.ga +++ b/workflows/Galaxy-Workflow-preset_workflow.ga @@ -1 +1 @@ -{"uuid": "7ebc1035-728c-4bca-a1c3-abd1c01bc064", "tags": [], "format-version": "0.1", "name": "preset_workflow", "version": 1, "steps": {"0": {"tool_id": null, "tool_version": null, "outputs": [], "workflow_outputs": [{"output_name": "output", "uuid": "6956ef7f-7fec-402b-a8ea-f054a819f351", "label": null}], "input_connections": {}, "tool_state": "{}", "id": 0, "uuid": "74f22d9b-e764-45e4-b0eb-579c9b647ea0", "errors": null, "name": "Input dataset", "label": null, "inputs": [], "position": {"top": 343.433349609375, "left": 201.33331298828125}, "annotation": "", "content_id": null, "type": "data_input"}, "1": {"tool_id": null, "tool_version": null, "outputs": [], "workflow_outputs": [{"output_name": "output", "uuid": "efc230d5-5570-4446-b56b-c0213bef9ef0", "label": null}], "input_connections": {}, "tool_state": "{}", "id": 1, "uuid": "6c1a20fa-828a-404c-b107-76fb8ddf3954", "errors": null, "name": "Input dataset", "label": null, "inputs": [], "position": {"top": 340.41668701171875, "left": 334.816650390625}, "annotation": "", "content_id": null, "type": "data_input"}, "2": {"tool_id": null, "tool_version": null, "outputs": [], "workflow_outputs": [{"output_name": "output", "uuid": "90864336-6fc2-49fa-8f16-ccf11c64dc9a", "label": null}], "input_connections": {}, "tool_state": "{}", "id": 2, "uuid": "1d25f54c-7575-4c8d-be55-73dd7e58613f", "errors": null, "name": "Input dataset", "label": null, "inputs": [], "position": {"top": 340.41668701171875, "left": 467.6333312988281}, "annotation": "", "content_id": null, "type": "data_input"}, "3": 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