При запуске программы на python, которая должна записать файл sqlite, генерируется IOError: схема базы данных устарела.
Написанный файл sqlite пуст.Ошибка приведена ниже:
will compute the lowest eigenvector by diagonalizing the Hessian
Traceback (most recent call last):
File "bh.py", line 4, in <module>
database=system.create_database('lj17.sqlite')
File "/home/gn203/.local/lib/python2.7/site-packages/pele/systems/basesystem.py", line 234, in create_database
db = Database(**kwargs)
File "/home/gn203/.local/lib/python2.7/site-packages/pele/storage/database.py", line 426, in __init__
raise IOError("existing file (%s) is not a pele database." % db)
IOError: existing file (lj17.sqlite) is not a pele database.
Вторая ошибка после запуска migrate_database.py для пустого файла sqlite.
lj17.sqlite
current version: 0
newest version: 2
migrating from database version 0 to 1
Traceback (most recent call last):
File "/home/gn203/pkg/pele-master/scripts/migrate_db.py", line 63, in <module>
migrate(dbfile)
File "/home/gn203/pkg/pele-master/scripts/migrate_db.py", line 47, in migrate
schema = migrate_script[schema](connection, schema)
File "/home/gn203/pkg/pele-master/scripts/migrate_db.py", line 13, in from_0_to_1
connection.execute("ALTER TABLE tbl_minima ADD fvib FLOAT;")
File "/home/gn203/.local/lib/python2.7/site-packages/sqlalchemy/engine/base.py", line 1294, in execute
params)
File "/home/gn203/.local/lib/python2.7/site-packages/sqlalchemy/engine/base.py", line 1471, in _execute_text
statement, parameters
File "/home/gn203/.local/lib/python2.7/site-packages/sqlalchemy/engine/base.py", line 1535, in _execute_context
context)
File "/home/gn203/.local/lib/python2.7/site-packages/sqlalchemy/engine/base.py", line 1528, in _execute_context
context)
File "/home/gn203/.local/lib/python2.7/site-packages/sqlalchemy/engine/default.py", line 325, in do_execute
cursor.execute(statement, parameters)
sqlalchemy.exc.OperationalError: (OperationalError) no such table: tbl_minima 'ALTER TABLE tbl_minima ADD fvib FLOAT;' ()