计算化学公社

 找回密码 Forget password
 注册 Register
Views: 557|回复 Reply: 1
打印 Print 上一主题 Last thread 下一主题 Next thread

[VASP] 用phonopy计算声子谱出现这样的提示 咋解决?

[复制链接 Copy URL]

240

帖子

0

威望

1005

eV
积分
1245

Level 4 (黑子)

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]$


QQ图片20231226175052_极光看图.jpg (531.39 KB, 下载次数 Times of downloads: 16)

QQ图片20231226175052_极光看图.jpg

2

帖子

0

威望

103

eV
积分
105

Level 2 能力者

2#
发表于 Post on 2024-7-2 09:49:00 | 只看该作者 Only view this author
我也遇到了类似的问题,请问楼主解决了吗?

本版积分规则 Credits rule

手机版 Mobile version|北京科音自然科学研究中心 Beijing Kein Research Center for Natural Sciences|京公网安备 11010502035419号|计算化学公社 — 北京科音旗下高水平计算化学交流论坛 ( 京ICP备14038949号-1 )|网站地图

GMT+8, 2024-11-24 06:02 , Processed in 0.212093 second(s), 30 queries , Gzip On.

快速回复 返回顶部 返回列表 Return to list