2

导入 rdkit 时出现此错误。Traceback（最近一次调用

 last):
  File "/home/project/Documents/pycharm-4.0.6/helpers/pycharm/django_manage.py", line 41, in <module>
    run_module(manage_file, None, '__main__', True)
  File "/usr/lib/python2.7/runpy.py", line 176, in run_module
    fname, loader, pkg_name)
  File "/usr/lib/python2.7/runpy.py", line 82, in _run_module_code
    mod_name, mod_fname, mod_loader, pkg_name)
  File "/usr/lib/python2.7/runpy.py", line 72, in _run_code
    exec code in run_globals
  File "/home/project/Documents/django_root/manage.py", line 10, in <module>
    execute_from_command_line(sys.argv)
  File "/home/project/.virtualenvs/project/local/lib/python2.7/site-packages/django/core/management/__init__.py", line 385, in execute_from_command_line
    utility.execute()
  File "/home/project/.virtualenvs/project/local/lib/python2.7/site-packages/django/core/management/__init__.py", line 354, in execute
    django.setup()
  File "/home/project/.virtualenvs/project/local/lib/python2.7/site-packages/django/__init__.py", line 21, in setup
    apps.populate(settings.INSTALLED_APPS)
  File "/home/project/.virtualenvs/project/local/lib/python2.7/site-packages/django/apps/registry.py", line 108, in populate
    app_config.import_models(all_models)
  File "/home/project/.virtualenvs/project/local/lib/python2.7/site-packages/django/apps/config.py", line 202, in import_models
    self.models_module = import_module(models_module_name)
  File "/usr/lib/python2.7/importlib/__init__.py", line 37, in import_module
    __import__(name)
  File "/home/project/PycharmProjects/project/project/models/__init__.py", line 3, in <module>
    from project.models.molecule_dictionary import MoleculeDictionary
  File "/home/project/PycharmProjects/project/project/models/molecule_dictionary.py", line 5, in <module>
    from project.lookup_data import *
  File "/home/project/PycharmProjects/project/project/lookup_data.py", line 4, in <module>
    from project.models.molecule_structure import MoleculeStructure
  File "/home/project/PycharmProjects/project/project/models/molecule_structure.py", line 3, in <module>
    from project.validations import *
  File "/home/project/PycharmProjects/project/project/validations.py", line 2, in <module>
    from rdkit import Chem
  File "/opt/rdkit-Release_2015_03_1/rdkit/Chem/__init__.py", line 21, in <module>
    from rdkit import DataStructs
  File "/opt/rdkit-Release_2015_03_1/rdkit/DataStructs/__init__.py", line 13, in <module>
    from rdkit.DataStructs import cDataStructs
ImportError: /opt/rdkit-Release_2015_03_1/rdkit/DataStructs/cDataStructs.so: undefined symbol: _ZN15ExplicitBitVectpLERKS_

我已将我的 .bashrc 文件编辑为此

export RDBASE=/opt/rdkit-Release_2015_03_1
export LD_LIBRARY_PATH=$RDBASE/lib:$LD_LIBRARY_PATH
export PYTHONPATH=$RDBASE:$PYTHONPATH

同样在 PyCharm 中编辑了设置以添加带有 RDkit 位置的内容根，并将 ENV 变量设置为指向 RDkit lib 位置。我仍然有同样的错误。


是否还有其他我忽略的配置过程。谢谢

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