feat: Add generic SODAR ingest command

cubi_tk/sodar/__init__.py

@@ -37,6 +37,9 @@
     Upload external files to SODAR
     (defaults for fastq files).
 
+``ingest``
+    Upload arbitrary files to SODAR
+
 ``check-remote``
     Check if or which local files with md5 sums are already deposited in iRODs/Sodar
 
@@ -53,6 +56,7 @@
 from .add_ped import setup_argparse as setup_argparse_add_ped
 from .check_remote import setup_argparse as setup_argparse_check_remote
 from .download_sheet import setup_argparse as setup_argparse_download_sheet
+from .ingest import setup_argparse as setup_argparse_ingest
 from .ingest_fastq import setup_argparse as setup_argparse_ingest_fastq
 from .lz_create import setup_argparse as setup_argparse_lz_create
 from .lz_list import setup_argparse as setup_argparse_lz_list
@@ -87,6 +91,7 @@ def setup_argparse(parser: argparse.ArgumentParser) -> None:
             "ingest-fastq", help="Upload external files to SODAR (defaults for fastq)"
         )
     )
+    setup_argparse_ingest(subparsers.add_parser("ingest", help="Upload arbitrary files to SODAR"))
     setup_argparse_check_remote(
         subparsers.add_parser(
             "check-remote", help="Compare local files with md5 sum against SODAR/iRODS"

cubi_tk/sodar/ingest.py

@@ -0,0 +1,297 @@
+"""``cubi-tk sodar ingest``: upload arbitrary files and folders into a specific SODAR landing zone collection"""
+
+import argparse
+import os
+from pathlib import Path
+import sys
+import typing
+
+import attrs
+import logzero
+from logzero import logger
+from sodar_cli import api
+
+from cubi_tk.irods_common import TransferJob, iRODSCommon, iRODSTransfer
+
+from ..common import compute_md5_checksum, is_uuid, load_toml_config, sizeof_fmt
+
+# for testing
+logger.propagate = True
+
+# no-frills logger
+formatter = logzero.LogFormatter(fmt="%(message)s")
+output_logger = logzero.setup_logger(formatter=formatter)
+
+
+@attrs.frozen(auto_attribs=True)
+class Config:
+    """Configuration for the ingest command."""
+
+    config: str = attrs.field(default=None)
+    sodar_server_url: str = attrs.field(default=None)
+    sodar_api_token: str = attrs.field(default=None, repr=lambda value: "***")  # type: ignore
+
+
+class SodarIngest:
+    """Implementation of sodar ingest command."""
+
+    def __init__(self, args):
+        # Command line arguments.
+        self.args = args
+
+        # Path to iRODS environment file
+        self.irods_env_path = Path(Path.home(), ".irods", "irods_environment.json")
+        if not self.irods_env_path.exists():
+            logger.error("iRODS environment file is missing.")
+            sys.exit(1)
+
+        # Get SODAR API info
+        toml_config = load_toml_config(Config())
+        if toml_config:  # pragma: no cover
+            config_url = toml_config.get("global", {}).get("sodar_server_url")
+            if self.args.sodar_url == "https://sodar.bihealth.org/" and config_url:
+                self.args.sodar_url = config_url
+            if not self.args.sodar_api_token:
+                self.args.sodar_api_token = toml_config.get("global", {}).get("sodar_api_token")
+        if not self.args.sodar_api_token:
+            logger.error("SODAR API token missing.")
+            sys.exit(1)
+
+    @classmethod
+    def setup_argparse(cls, parser: argparse.ArgumentParser) -> None:
+        parser.add_argument(
+            "--hidden-cmd", dest="sodar_cmd", default=cls.run, help=argparse.SUPPRESS
+        )
+        group_sodar = parser.add_argument_group("SODAR-related")
+        group_sodar.add_argument(
+            "--sodar-url",
+            default=os.environ.get("SODAR_URL", "https://sodar.bihealth.org/"),
+            help="URL to SODAR, defaults to SODAR_URL environment variable or fallback to https://sodar.bihealth.org/",
+        )
+        group_sodar.add_argument(
+            "--sodar-api-token",
+            default=os.environ.get("SODAR_API_TOKEN", None),
+            help="SODAR API token. Defaults to SODAR_API_TOKEN environment variable.",
+        )
+        parser.add_argument(
+            "-r",
+            "--recursive",
+            default=False,
+            action="store_true",
+            help="Recursively match files in subdirectories. Creates iRODS sub-collections to match directory structure.",
+        )
+        parser.add_argument(
+            "-s",
+            "--sync",
+            default=False,
+            action="store_true",
+            help="Skip upload of files already present in remote collection.",
+        )
+        parser.add_argument(
+            "-e",
+            "--exclude",
+            nargs="+",
+            default="",
+            type=str,
+            help="Exclude files by defining one or multiple glob-style patterns.",
+        )
+        parser.add_argument(
+            "-K",
+            "--remote-checksums",
+            default=False,
+            action="store_true",
+            help="Trigger checksum computation on the iRODS side.",
+        )
+        parser.add_argument(
+            "-y",
+            "--yes",
+            default=False,
+            action="store_true",
+            help="Don't ask for permission. Does not skip manual target collection selection.",
+        )
+        parser.add_argument(
+            "--collection",
+            type=str,
+            help="Target iRODS collection. Skips manual target collection selection.",
+        )
+        parser.add_argument(
+            "sources", help="One or multiple files/directories to ingest.", nargs="+"
+        )
+        parser.add_argument("destination", help="UUID or iRODS path of SODAR landing zone.")
+
+    @classmethod
+    def run(
+        cls, args, _parser: argparse.ArgumentParser, _subparser: argparse.ArgumentParser
+    ) -> typing.Optional[int]:
+        """Entry point into the command."""
+        return cls(args).execute()
+
+    def execute(self):
+        """Execute ingest."""
+        # Retrieve iRODS path if destination is UUID
+        if is_uuid(self.args.destination):
+            try:
+                lz_info = api.landingzone.retrieve(
+                    sodar_url=self.args.sodar_url,
+                    sodar_api_token=self.args.sodar_api_token,
+                    landingzone_uuid=self.args.destination,
+                )
+            except Exception as e:  # pragma: no cover
+                logger.error("Failed to retrieve landing zone information.")
+                logger.exception(e)
+                sys.exit(1)
+
+            # TODO: Replace with status_locked check once implemented in sodar_cli
+            if lz_info.status in ["ACTIVE", "FAILED"]:
+                self.lz_irods_path = lz_info.irods_path
+                logger.info(f"Target iRods path: {self.lz_irods_path}")
+            else:
+                logger.error("Target landing zone is not ACTIVE.")
+                sys.exit(1)
+        else:
+            self.lz_irods_path = self.args.destination  # pragma: no cover
+
+        # Build file list
+        source_paths = self.build_file_list()
+        if len(source_paths) == 0:
+            logger.info("Nothing to do. Quitting.")
+            sys.exit(0)
+
+        # Initiate iRODS session
+        irods_session = iRODSCommon().session
+
+        # Query target collection
+        logger.info("Querying landing zone collections…")
+        collections = []
+        try:
+            with irods_session as i:
+                coll = i.collections.get(self.lz_irods_path)
+                for c in coll.subcollections:
+                    collections.append(c.name)
+        except Exception as e:  # pragma: no cover
+            logger.error(
+                f"Failed to query landing zone collections: {iRODSCommon().get_irods_error(e)}"
+            )
+            sys.exit(1)
+
+        # Query user for target sub-collection
+        if not collections:
+            self.target_coll = self.lz_irods_path
+            logger.info("No subcollections found. Moving on.")
+        elif self.args.collection is None:
+            user_input = ""
+            input_valid = False
+            input_message = "####################\nPlease choose target collection:\n"
+            for index, item in enumerate(collections):
+                input_message += f"{index+1}) {item}\n"
+            input_message += "Select by number: "
+
+            while not input_valid:
+                user_input = input(input_message)
+                if user_input.isdigit():
+                    user_input = int(user_input)
+                    if 0 < user_input <= len(collections):
+                        input_valid = True
+
+            self.target_coll = f"{self.lz_irods_path}/{collections[user_input - 1]}"
+
+        elif self.args.collection in collections:
+            self.target_coll = f"{self.lz_irods_path}/{self.args.collection}"
+        else:  # pragma: no cover
+            logger.error("Selected target collection does not exist in landing zone.")
+            sys.exit(1)
+
+        # Build transfer jobs and add missing md5 files
+        jobs = self.build_jobs(source_paths)
+        jobs = sorted(jobs, key=lambda x: x.path_local)
+
+        # Final go from user & transfer
+        itransfer = iRODSTransfer(jobs, ask=not self.args.yes)
+        logger.info("Planning to transfer the following files:")
+        for job in jobs:
+            output_logger.info(job.path_local)
+        logger.info(f"With a total size of {sizeof_fmt(itransfer.size)}")
+        logger.info("Into this iRODS collection:")
+        output_logger.info(f"{self.target_coll}/")
+
+        if not self.args.yes:
+            if not input("Is this OK? [y/N] ").lower().startswith("y"):  # pragma: no cover
+                logger.info("Aborting at your request.")
+                sys.exit(0)
+
+        itransfer.put(recursive=self.args.recursive, sync=self.args.sync)
+        logger.info("File transfer complete.")
+
+        # Compute server-side checksums
+        if self.args.remote_checksums:  # pragma: no cover
+            logger.info("Computing server-side checksums.")
+            itransfer.chksum()
+
+    def build_file_list(self) -> typing.List[typing.Dict[Path, Path]]:
+        """
+        Build list of source files to transfer.
+        iRODS paths are relative to target collection.
+        """
+
+        source_paths = [Path(src) for src in self.args.sources]
+        output_paths = list()
+
+        for src in source_paths:
+            try:
+                abspath = src.resolve(strict=True)
+            except FileNotFoundError:
+                logger.warning(f"File not found: {src.name}")
+                continue
+            except RuntimeError:
+                logger.warning(f"Symlink loop: {src.name}")
+                continue
+
+            excludes = self.args.exclude
+            if src.is_dir():
+                paths = abspath.glob("**/*" if self.args.recursive else "*")
+                for p in paths:
+                    if excludes and any([p.match(e) for e in excludes]):
+                        continue
+                    if p.is_file() and not p.suffix.lower() == ".md5":
+                        output_paths.append({"spath": p, "ipath": p.relative_to(abspath)})
+            else:
+                if not any([src.match(e) for e in excludes if e]):
+                    output_paths.append({"spath": src, "ipath": Path(src.name)})
+        return output_paths
+
+    def build_jobs(self, source_paths: typing.Iterable[Path]) -> typing.Tuple[TransferJob]:
+        """Build file transfer jobs."""
+
+        transfer_jobs = []
+
+        for p in source_paths:
+            path_remote = f"{self.target_coll}/{str(p['ipath'])}"
+            md5_path = p["spath"].parent / (p["spath"].name + ".md5")
+
+            if md5_path.exists():
+                logger.info(f"Found md5 hash on disk for {p['spath']}")
+            else:
+                md5sum = compute_md5_checksum(p["spath"])
+                with md5_path.open("w", encoding="utf-8") as f:
+                    f.write(f"{md5sum}  {p['spath'].name}")
+
+            transfer_jobs.append(
+                TransferJob(
+                    path_local=str(p["spath"]),
+                    path_remote=path_remote,
+                )
+            )
+
+            transfer_jobs.append(
+                TransferJob(
+                    path_local=str(md5_path),
+                    path_remote=path_remote + ".md5",
+                )
+            )
+
+        return tuple(transfer_jobs)
+
+
+def setup_argparse(parser: argparse.ArgumentParser) -> None:
+    """Setup argument parser for ``cubi-tk sodar ingest``."""
+    return SodarIngest.setup_argparse(parser)

docs_manual/index.rst

@@ -14,8 +14,9 @@ Manual
 
     | :ref:`Creating ISA-tab files <man_isa_tpl>`
     | :ref:`Annotating ISA-tab files <man_isa_tab>`
-    | :ref:`Upload raw data to SODAR <man_ingest_fastq>`
-    | :ref:`Upload raw data to SODAR <man_seasnap_itransfer_results>`
+    | :ref:`Upload data to SODAR <man_sodar_ingest>`
+    | :ref:`Upload fastq files to SODAR <man_ingest_fastq>`
+    | :ref:`Upload results of the Seasnap pipeline to SODAR <man_seasnap_itransfer_results>`
     | :ref:`Create a sample info file for Sea-snap <man_write_sample_info>`
     | :ref:`Tools for archiving old projects <man_archive>`
 
@@ -51,6 +52,7 @@ Project Info
 
     man_isa_tpl
     man_isa_tab
+    man_sodar_ingest
     man_ingest_fastq
     man_itransfer_results
     man_write_sample_info

docs_manual/man_ingest_fastq.rst

@@ -1,7 +1,7 @@
 .. _man_ingest_fastq:
 
 ===========================
-Manual for ``ingest-fastq``
+Manual for ``sodar ingest-fastq``
 ===========================
 
 The ``cubi-tk sodar ingest-fastq`` command lets you upload raw data files to SODAR.