Mercurial > repos > pimarin > data_manager_bakta
view data_manager/bakta_build_database.py @ 0:9d08486abf8e draft
"planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/data_managers/data_manager_bakta commit 5f320f165a7f454193df36cc2ec77a87d50ec80f-dirty"
author | pimarin |
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date | Wed, 17 Aug 2022 14:42:22 +0000 |
parents | |
children | faae5d8ce0cb |
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import hashlib import json import logging import os import shutil import subprocess as sp import stat import sys import tarfile from pathlib import Path from alive_progress import alive_bar import requests import bakta import bakta.config as cfg import bakta.constants as bc import bakta.utils as bu log = logging.getLogger('DB') FILE_NAMES = [ 'antifam.h3f', 'antifam.h3i', 'antifam.h3m', 'antifam.h3p', 'bakta.db', 'expert-protein-sequences.dmnd', 'ncRNA-genes.i1f', 'ncRNA-genes.i1i', 'ncRNA-genes.i1m', 'ncRNA-genes.i1p', 'ncRNA-regions.i1f', 'ncRNA-regions.i1i', 'ncRNA-regions.i1m', 'ncRNA-regions.i1p', 'oric.fna', 'orit.fna', 'pfam.h3f', 'pfam.h3i', 'pfam.h3m', 'pfam.h3p', 'psc.dmnd', 'rfam-go.tsv', 'rRNA.i1f', 'rRNA.i1i', 'rRNA.i1m', 'rRNA.i1p', 'sorf.dmnd' ] def check(db_path: Path) -> dict: """Check if database directory exists, is accessible and contains necessary files.""" if(db_path is None): log.error('directory neither provided nor detected!') sys.exit('ERROR: database directory not provided nor detected! Please provide a valid path to the database directory.') if(not os.access(str(db_path), os.R_OK & os.X_OK)): log.error('directory (%s) not readable/accessible!', db_path) sys.exit(f'ERROR: database directory ({db_path}) not readable/accessible!') version_path = db_path.joinpath('version.json') if(not os.access(str(version_path), os.R_OK) or not version_path.is_file()): log.error('version file not readable!') sys.exit('ERROR: database version file (version.json) not readable!') try: with version_path.open() as fh: db_info = json.load(fh) except: log.exception('could not parse database version file!') sys.exit('ERROR: could not parse database version file!') for key in ['date', 'major', 'minor']: if(key not in db_info): log.error('wrong db version info file content! missed key=%s', key) sys.exit(f"ERROR: wrong db version info file format! Missed key '{key}' in JSON structure.") log.info('detected: major=%i, minor=%i, date=%s', db_info['major'], db_info['minor'], db_info['date']) if(db_info['major'] < bakta.__db_schema_version__): log.error('wrong database version detected! required=%i, detected=%i', bakta.__db_schema_version__, db_info['major']) sys.exit(f"ERROR: wrong database version detected!\nBakta version {bakta.__version__} requires database version {bakta.__db_schema_version__}.x, but {db_info['major']}.{db_info['minor']} was detected. Please, update the database from https://doi.org/10.5281/zenodo.4247253") elif(db_info['major'] > bakta.__db_schema_version__): log.error('wrong database version detected! required=%i, detected=%i', bakta.__db_schema_version__, db_info['major']) sys.exit(f"ERROR: wrong database version detected!\nBakta version {bakta.__version__} requires database version {bakta.__db_schema_version__}.x, but {db_info['major']}.{db_info['minor']} was detected. Please, update Bakta or download a compatible database version from https://doi.org/10.5281/zenodo.4247253") for file_name in FILE_NAMES: path = db_path.joinpath(file_name) if(not os.access(str(path), os.R_OK) or not path.is_file()): log.error('file not readable! file=%s', file_name) sys.exit(f'ERROR: database file ({file_name}) not readable!') return db_info def fetch_db_versions(): try: with requests.get(bc.DB_VERSIONS_URL) as resp: versions = json.loads(resp.content) except IOError as e: print(e, file=sys.stderr) raise e else: return versions def download(db_url: str, tarball_path: Path): try: with tarball_path.open('wb') as fh_out, requests.get(db_url, stream=True) as resp: total_length = resp.headers.get('content-length') if(total_length is None): # no content length header with alive_bar() as bar: for data in resp.iter_content(chunk_size=1024*1024): fh_out.write(data) bar() else: total_length = int(int(total_length)/1024) # length in Kb with alive_bar(total=total_length) as bar: for data in resp.iter_content(chunk_size=1024*1024): fh_out.write(data) bar(incr=len(data)/1024) except IOError: sys.exit(f'ERROR: Could not download file from Zenodo! url={db_url}, path={tarball_path}') def calc_md5_sum(tarball_path: Path, buffer_size: int=1024*1024) -> str: md5 = hashlib.md5() with tarball_path.open('rb') as fh: data = fh.read(buffer_size) while data: md5.update(data) data = fh.read(buffer_size) return md5.hexdigest() def untar(tarball_path: Path, output_path: Path): try: with tarball_path.open('rb') as fh_in, tarfile.open(fileobj=fh_in, mode='r:gz') as tar_file: tar_file.extractall(path=str(output_path)) except OSError: sys.exit(f'ERROR: Could not extract {tarball_path} to {output_path}') def main(): # parse options and arguments parser = bu.init_parser(sub_command='_db') group_runtime = parser.add_argument_group('Runtime & auxiliary options') group_runtime.add_argument('--help', '-h', action='help', help='Show this help message and exit') group_runtime.add_argument('--version', '-V', action='version', version=f'%(prog)s {bakta.__version__}') subparsers = parser.add_subparsers(dest='subcommand', help='sub-command help') parser_list = subparsers.add_parser('list', help='List available database versions') # add list sub-command options parser_list.add_argument('--all', action='store_true', help='Show all versions including incompatible') parser_download = subparsers.add_parser('download', help='Download a database') # add download sub-command options parser_download.add_argument('--output', '-o', action='store', default=Path.cwd(), help='output directory (default = current working directory)') parser_download.add_argument('--minor', '-n', action='store', type=int, default=0, help='Database minor version (default = most recent db minor version)') parser_update = subparsers.add_parser('update', help='Update an existing database to the most recent compatible version') # add download sub-command options parser_update.add_argument('--db', '-d', action='store', default=None, help='Current database path (default = <bakta_path>/db). Can also be provided as BAKTA_DB environment variable.') parser_update.add_argument('--tmp-dir', '-t', action='store', dest='tmp_dir', default=Path.cwd(), help='Temporary directory to download & extract (default = current working directory)') args = parser.parse_args() if(args.subcommand == 'list'): print(f'Required database schema version: {bakta.__db_schema_version__}\n') versions = fetch_db_versions() if(not args.all): versions = [v for v in versions if v['major'] == bakta.__db_schema_version__] print('Available DB versions:') for v in sorted(versions, key=lambda v: (v['major'], v['minor'])): print(f"{v['major']}.{v['minor']}\t{v['date']}\t{v['doi']}") elif(args.subcommand == 'download'): bu.test_dependency(bu.DEPENDENCY_AMRFINDERPLUS) output_path = cfg.check_output_path(args) print('fetch DB versions...') versions = fetch_db_versions() compatible_versions = [v for v in versions if v['major'] == bakta.__db_schema_version__] if(len(compatible_versions) == 0): sys.exit(f'Error: no compatible version available for current major db version {bakta.__db_schema_version__}') else: print(f'\t... compatible DB versions: {len(compatible_versions)}') required_version = None if(args.minor > 0): for v in versions: if(v['minor'] == args.minor): required_version = v break if(required_version is None): sys.exit(f"requested DB minor version {args.minor} is not available. Please use 'bakta_db list' to get a list of available DB versions") else: compatible_sorted = sorted(compatible_versions, key=lambda v: v['minor'], reverse=True) required_version = compatible_sorted[0] tarball_path = output_path.joinpath('db.tar.gz') db_url = f"https://zenodo.org/record/{required_version['record']}/files/db.tar.gz" print(f"download database: v{required_version['major']}.{required_version['minor']}, {required_version['date']}, DOI: {required_version['doi']}, URL: {db_url}...") download(db_url, tarball_path) print('\t... done') print('check MD5 sum...') md5_sum = calc_md5_sum(tarball_path) if(md5_sum == required_version['md5']): print(f'\t...database file OK: {md5_sum}') else: sys.exit(f"Error: corrupt database file! MD5 should be '{required_version['md5']}' but is '{md5_sum}'") print(f'extract DB tarball: file={tarball_path}, output={output_path}') untar(tarball_path, output_path) tarball_path.unlink() db_path = output_path.joinpath('db') db_info = check(db_path) if(db_info['major'] != required_version['major']): sys.exit(f"ERROR: wrong major db detected! required={required_version['major']}, detected={db_info['major']}") elif(db_info['minor'] != required_version['minor']): sys.exit(f"ERROR: wrong minor db detected! required={required_version['minor']}, detected={db_info['minor']}") print('successfully downloaded Bakta database!') print(f"\tversion: {required_version['major']}.{required_version['minor']}") print(f"\tDOI: {required_version['doi']}") print(f'\tpath: {db_path}') try: db_path.chmod(stat.S_IRUSR | stat.S_IWUSR | stat.S_IXUSR | stat.S_IRGRP | stat.S_IWGRP | stat.S_IXGRP | stat.S_IROTH | stat.S_IXOTH) # set write permissions on old (existing) directory with updated content for db_file_path in db_path.iterdir(): db_file_path.chmod(stat.S_IRUSR | stat.S_IRGRP | stat.S_IROTH) except: sys.exit(f'ERROR: cannot set read|execute permissions on new database! path={db_path}, owner={db_path.owner()}, group={db_path.group()}, permissions={oct(db_path.stat().st_mode )[-3:]}') print('update AMRFinderPlus database...') update_amrfinderplus_db(db_path) print('\t... done') print(f"\nRun Bakta using '--db {db_path}' or set a BAKTA_DB environment variable: 'export BAKTA_DB={db_path}'") elif(args.subcommand == 'update'): bu.test_dependency(bu.DEPENDENCY_AMRFINDERPLUS) tmp_path = cfg.check_tmp_path(args) db_old_path = cfg.check_db_path(args) db_old_info = check(db_old_path) print(f"existing database: v{db_old_info['major']}.{db_old_info['minor']}") print('fetch DB versions...') versions = fetch_db_versions() compatible_versions = [v for v in versions if v['major'] == bakta.__db_schema_version__] if(len(compatible_versions) == 0): sys.exit(f'Error: no compatible version available for current major db version {bakta.__db_schema_version__}') else: print(f'\t... compatible DB versions: {len(compatible_versions)}') compatible_sorted = sorted(compatible_versions, key=lambda v: v['minor'], reverse=True) if(compatible_sorted[0]['minor'] <= db_old_info['minor']): print(f"Database version {db_old_info['major']}.{db_old_info['minor']} is up-to-date") sys.exit() required_version = compatible_sorted[0] tarball_path = tmp_path.joinpath('db.tar.gz') db_url = f"https://zenodo.org/record/{required_version['record']}/files/db.tar.gz" print(f"download database: v{required_version['major']}.{required_version['minor']}, {required_version['date']}, DOI: {required_version['doi']}, URL: {db_url}...") download(db_url, tarball_path) print('\t... done') print('check MD5 sum...') md5_sum = calc_md5_sum(tarball_path) if(md5_sum == required_version['md5']): print(f'\t...database file OK: {md5_sum}') else: sys.exit(f"Error: corrupt database file! MD5 should be '{required_version['md5']}' but is '{md5_sum}'") print(f'extract DB tarball: file={tarball_path}, output-directory={tmp_path}') untar(tarball_path, tmp_path) tarball_path.unlink() db_new_path = tmp_path.joinpath('db') db_new_info = check(db_new_path) if(db_new_info['major'] != required_version['major']): sys.exit(f"ERROR: wrong major db detected! required={required_version['major']}, detected={db_new_info['major']}") elif(db_new_info['minor'] != required_version['minor']): sys.exit(f"ERROR: wrong minor db detected! required={required_version['minor']}, detected={db_new_info['minor']}") print('successfully downloaded Bakta DB:') print(f"\tversion: {required_version['major']}.{required_version['minor']}") print(f"\tDOI: {required_version['doi']}") print(f'\tpath: {db_new_path}') print('remove old database...') try: db_old_path.chmod(stat.S_IRUSR | stat.S_IWUSR | stat.S_IXUSR) # set write permissions on old directory for db_old_file_path in db_old_path.iterdir(): if(db_old_file_path.is_dir()): db_old_file_path.chmod(stat.S_IRUSR | stat.S_IWUSR | stat.S_IXUSR) else: db_old_file_path.chmod(stat.S_IRUSR | stat.S_IWUSR) except: sys.exit(f'ERROR: cannot set read|write|execute permissions on old database! path={db_old_path}, owner={db_old_path.owner()}, group={db_old_path.group()}, permissions={oct(db_old_path.stat().st_mode )[-3:]}') try: shutil.rmtree(db_old_path) except: sys.exit(f'ERROR: cannot remove old database! path={db_old_path}, owner={db_old_path.owner()}, group={db_old_path.group()}, permissions={oct(db_old_path.stat().st_mode )[-3:]}') db_old_path.mkdir() try: db_new_path.chmod(stat.S_IRUSR | stat.S_IWUSR | stat.S_IXUSR) # set write permissions on db_new_path directory for db_new_file_path in db_new_path.iterdir(): db_new_file_path.chmod(stat.S_IRUSR | stat.S_IWUSR) except: sys.exit(f'ERROR: cannot set read|write|execute permissions on new database! path={db_new_path}, owner={db_new_path.owner()}, group={db_new_path.group()}, permissions={oct(db_new_path.stat().st_mode )[-3:]}') try: for db_new_file_path in db_new_path.iterdir(): # move new db files into old (existing) db directory file_name = db_new_file_path.name shutil.move(db_new_file_path, db_old_path.joinpath(file_name)) except: sys.exit(f'ERROR: cannot move new database to existing path! new-path={db_new_path}, existing-path={db_old_path.parent}') shutil.rmtree(tmp_path) try: db_old_path.chmod(stat.S_IRUSR | stat.S_IWUSR | stat.S_IXUSR | stat.S_IRGRP | stat.S_IWGRP | stat.S_IXGRP | stat.S_IROTH | stat.S_IXOTH) # set write permissions on old (existing) directory with updated content for db_old_file_path in db_old_path.iterdir(): db_old_file_path.chmod(stat.S_IRUSR | stat.S_IRGRP | stat.S_IROTH) except: sys.exit(f'ERROR: cannot set read(|execute) permissions on new database! path={db_old_path}, owner={db_old_path.owner()}, group={db_old_path.group()}, permissions={oct(db_old_path.stat().st_mode )[-3:]}') print('\t... done') print('update AMRFinderPlus database...') update_amrfinderplus_db(db_old_path) print('\t... done') print(f"\nRun Bakta using '--db {db_old_path}' or set a BAKTA_DB environment variable: 'export BAKTA_DB={db_old_path}'") else: parser.print_help() sys.exit('Error: no subcommand provided!') def update_amrfinderplus_db(db_path: Path): amrfinderplus_db_path = db_path.joinpath('amrfinderplus-db') cmd = [ 'amrfinder_update', '--database', str(amrfinderplus_db_path), '--force_update' ] log.debug('cmd=%s', cmd) proc = sp.run( cmd, stdout=sp.PIPE, stderr=sp.PIPE, universal_newlines=True ) if(proc.returncode != 0): log.debug('stdout=\'%s\', stderr=\'%s\'', proc.stdout, proc.stderr) log.warning('AMRFinderPlus failed! amrfinder-error-code=%d', proc.returncode) sys.exit(f"ERROR: AMRFinderPlus failed! command: 'amrfinder_update --force_update --database {amrfinderplus_db_path}', error code: {proc.returncode}") if __name__ == '__main__': main()