标题: 用phonopy计算声子谱出现这样的提示 咋解决？ [打印本页] 作者Author: wmg166 时间: 2023-12-27 10:07 标题: 用phonopy计算声子谱出现这样的提示 咋解决？ 请教大神 我安装的时候成功了，如附图，为啥计算声子谱就不行 ，提示：(base) [wmg@localhost Pt4Ti03]$ phonopy -d --dim="222" -c POSCAR-UNTICELL
/home/wmg/anaconda3/bin/phonopy:4: DeprecationWarning: pkg_resources is deprecated as an API. See https://setuptools.pypa.io/en/latest/pkg_resources.html
__import__('pkg_resources').run_script('phonopy==1.11.2', 'phonopy')
Traceback (most recent call last):
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 631, in _build_master
ws.require(__requires__)
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 968, in require
needed = self.resolve(parse_requirements(requirements))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 829, in resolve
dist = self._resolve_dist(
^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 875, in _resolve_dist
raise VersionConflict(dist, req).with_context(dependent_req)
pkg_resources.VersionConflict: (phonopy 2.20.0 (/home/wmg/anaconda3/lib/python3.11/site-packages/phonopy-2.20.0-py3.11-linux-x86_64.egg), Requirement.parse('phonopy==1.11.2'))
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/home/wmg/anaconda3/bin/phonopy", line 4, in <module>
__import__('pkg_resources').run_script('phonopy==1.11.2', 'phonopy')
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 3327, in <module>
@_call_aside
^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 3302, in _call_aside
f(*args, **kwargs)
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 3340, in _initialize_master_working_set
working_set = WorkingSet._build_master()
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 633, in _build_master
return cls._build_from_requirements(__requires__)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 646, in _build_from_requirements
dists = ws.resolve(reqs, Environment())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 829, in resolve
dist = self._resolve_dist(
^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 870, in _resolve_dist
raise DistributionNotFound(req, requirers)
pkg_resources.DistributionNotFound: The 'fonttools>=4.22.0' distribution was not found and is required by matplotlib
(base) [wmg@localhost Pt4Ti03]$ phonopy -d --dim="2 2 2" -c POSCAR-UNITCELL
/home/wmg/anaconda3/bin/phonopy:4: DeprecationWarning: pkg_resources is deprecated as an API. See https://setuptools.pypa.io/en/latest/pkg_resources.html
__import__('pkg_resources').run_script('phonopy==1.11.2', 'phonopy')
Traceback (most recent call last):
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 631, in _build_master
ws.require(__requires__)
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 968, in require
needed = self.resolve(parse_requirements(requirements))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 829, in resolve
dist = self._resolve_dist(
^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 875, in _resolve_dist
raise VersionConflict(dist, req).with_context(dependent_req)
pkg_resources.VersionConflict: (phonopy 2.20.0 (/home/wmg/anaconda3/lib/python3.11/site-packages/phonopy-2.20.0-py3.11-linux-x86_64.egg), Requirement.parse('phonopy==1.11.2'))
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/home/wmg/anaconda3/bin/phonopy", line 4, in <module>
__import__('pkg_resources').run_script('phonopy==1.11.2', 'phonopy')
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 3327, in <module>
@_call_aside
^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 3302, in _call_aside
f(*args, **kwargs)
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 3340, in _initialize_master_working_set
working_set = WorkingSet._build_master()
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 633, in _build_master
return cls._build_from_requirements(__requires__)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 646, in _build_from_requirements
dists = ws.resolve(reqs, Environment())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 829, in resolve
dist = self._resolve_dist(
^^^^^^^^^^^^^^^^^^^
File "/home/wmg/anaconda3/lib/python3.11/site-packages/pkg_resources/__init__.py", line 870, in _resolve_dist
raise DistributionNotFound(req, requirers)
pkg_resources.DistributionNotFound: The 'fonttools>=4.22.0' distribution was not found and is required by matplotlib
(base) [wmg@localhost Pt4Ti03]$