如何解决rdkit 安装在 Windows 10 上不起作用？
我在 Windows 上安装 RDkit 时遇到了一些问题。在我的 Mac 上没有问题，但在我的 Windows 上不起作用。当我跑
conda create -c conda-forge -n my-rdkit-env rdkit
按照 documentation 中的建议，我收到错误
收集包元数据（current_repodata.json）：失败
# >>>>>>>>>>>>>>>>>>>>>> ERROR REPORT <<<<<<<<<<<<<<<<<<<<<<
Traceback (most recent call last):
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\requests\adapters.py",line 412,in send
conn = self.get_connection(request.url,proxies)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\requests\adapters.py",line 305,in get_connection
proxy_url = parse_url(proxy)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\urllib3\util\url.py",line 392,in parse_url
return six.raise_from(LocationParseError(source_url),None)
File "<string>",line 3,in raise_from
urllib3.exceptions.LocationParseError: Failed to parse: http://proxy-XX:XXX
During handling of the above exception,another exception occurred:
Traceback (most recent call last):
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\exceptions.py",line 1079,in __call__
return func(*args,**kwargs)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\cli\main.py",line 84,in _main
exit_code = do_call(args,p)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\cli\conda_argparse.py",line 83,in do_call
return getattr(module,func_name)(args,parser)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\cli\main_create.py",line 41,in execute
install(args,parser,'create')
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\cli\install.py",line 261,in install
unlink_link_transaction = solver.solve_for_transaction(
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\core\solve.py",line 114,in solve_for_transaction
unlink_precs,link_precs = self.solve_for_diff(update_modifier,deps_modifier,File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\core\solve.py",line 157,in solve_for_diff
final_precs = self.solve_final_state(update_modifier,prune,ignore_pinned,line 262,in solve_final_state
ssc = self._collect_all_Metadata(ssc)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\common\io.py",line 88,in decorated
return f(*args,**kwds)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\core\solve.py",line 425,in _collect_all_Metadata
index,r = self._prepare(prepared_specs)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\core\solve.py",line 1020,in _prepare
reduced_index = get_reduced_index(self.prefix,self.channels,File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\core\index.py",line 276,in get_reduced_index
new_records = SubdirData.query_all(spec,channels=channels,subdirs=subdirs,File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\core\subdir_data.py",line 120,in query_all
result = tuple(concat(executor.map(subdir_query,channel_urls)))
File "C:\Users\tsiklide\Anaconda3\lib\concurrent\futures\_base.py",line 611,in result_iterator
yield fs.pop().result()
File "C:\Users\tsiklide\Anaconda3\lib\concurrent\futures\_base.py",line 439,in result
return self.__get_result()
File "C:\Users\tsiklide\Anaconda3\lib\concurrent\futures\_base.py",line 388,in __get_result
raise self._exception
File "C:\Users\tsiklide\Anaconda3\lib\concurrent\futures\thread.py",line 57,in run
result = self.fn(*self.args,**self.kwargs)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\core\subdir_data.py",line 112,in <lambda>
subdir_query = lambda url: tuple(SubdirData(Channel(url),repodata_fn=repodata_fn).query(
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\core\subdir_data.py",line 125,in query
self.load()
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\core\subdir_data.py",line 189,in load
_internal_state = self._load()
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\core\subdir_data.py",line 259,in _load
raw_repodata_str = fetch_repodata_remote_request(
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\conda\core\subdir_data.py",line 499,in fetch_repodata_remote_request
resp = session.get(join_url(url,filename),headers=headers,proxies=session.proxies,File "C:\Users\tsiklide\Anaconda3\lib\site-packages\requests\sessions.py",line 543,in get
return self.request('GET',url,**kwargs)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\requests\sessions.py",line 530,in request
resp = self.send(prep,**send_kwargs)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\requests\sessions.py",line 643,in send
r = adapter.send(request,**kwargs)
File "C:\Users\tsiklide\Anaconda3\lib\site-packages\requests\adapters.py",line 414,in send
raise InvalidURL(e,request=request)
requests.exceptions.InvalidURL: Failed to parse: http://proxy-XX:XXX
`$ C:\Users\tsiklide\Anaconda3\Scripts\conda-script.py create -c rdkit -n my-rdkit-env rdkit`
environment variables:
CIO_TEST=<not set>
CONDA_DEFAULT_ENV=base
CONDA_EXE=C:\Users\tsiklide\Anaconda3\condabin\..\Scripts\conda.exe
CONDA_EXES="C:\Users\tsiklide\Anaconda3\condabin\..\Scripts\conda.exe"
CONDA_PREFIX=C:\Users\tsiklide\Anaconda3
CONDA_PROMPT_MODIFIER=(base)
CONDA_PYTHON_EXE=C:\Users\tsiklide\Anaconda3\python.exe
CONDA_ROOT=C:\Users\tsiklide\Anaconda3
CONDA_SHLVL=1
CURL_CA_BUNDLE=<not set>
HOMEPATH=\Users\tsiklide
HTTPS_PROXY=<set>
HTTP_PROXY=<set>
PATH=C:\Users\tsiklide\Anaconda3;C:\Users\tsiklide\Anaconda3\Library\mingw-
w64\bin;C:\Users\tsiklide\Anaconda3\Library\usr\bin;C:\Users\tsiklide\
Anaconda3\Library\bin;C:\Users\tsiklide\Anaconda3\Scripts;C:\Users\tsi
klide\Anaconda3\bin;C:\Program Files (x86)\Microsoft\Edge\Application;
C:\Users\tsiklide\Anaconda3;C:\Users\tsiklide\Anaconda3\Library\mingw-
w64\bin;C:\Users\tsiklide\Anaconda3\Library\usr\bin;C:\Users\tsiklide\
Anaconda3\Library\bin;C:\Users\tsiklide\Anaconda3\Scripts;C:\Users\tsi
klide\Anaconda3\bin;C:\Users\tsiklide\Anaconda3\condabin;C:\Users\tsik
lide\Anaconda3;C:\Users\tsiklide\Anaconda3\Library\mingw-w64\bin;C:\Us
ers\tsiklide\Anaconda3\Library\usr\bin;C:\Users\tsiklide\Anaconda3\Lib
rary\bin;C:\Users\tsiklide\Anaconda3\Scripts;C:\Windows\system32;C:\Wi
ndows;C:\Windows\System32\Wbem;C:\Windows\System32\WindowsPowerShell\v
1.0;C:\Windows\System32\OpenSSH;C:\Program Files\1E\Client\Extensibili
ty\NomadBranch;C:\Users\tsiklide\Anaconda3;C:\Users\tsiklide\Anaconda3
\Library\mingw-w64\bin;C:\Users\tsiklide\Anaconda3\Library\usr\bin;C:\
Users\tsiklide\Anaconda3\Library\bin;C:\Users\tsiklide\Anaconda3\Scrip
ts;C:\Users\tsiklide\AppData\Local\Microsoft\WindowsApps
PSMODULEPATH=C:\Users\tsiklide\Documents\WindowsPowerShell\Modules;C:\Program Files
\WindowsPowerShell\Modules;C:\Windows\system32\WindowsPowerShell\v1.0\
Modules
REQUESTS_CA_BUNDLE=<not set>
SSL_CERT_FILE=<not set>
active environment : base
active env location : C:\Users\tsiklide\Anaconda3
shell level : 1
user config file : C:\Users\tsiklide\.condarc
populated config files : C:\Users\tsiklide\.condarc
conda version : 4.9.2
conda-build version : 3.20.5
python version : 3.8.5.final.0
virtual packages : __win=0=0
__archspec=1=x86_64
base environment : C:\Users\tsiklide\Anaconda3 (writable)
channel URLs : https://conda.anaconda.org/rdkit/win-64
https://conda.anaconda.org/rdkit/noarch
https://repo.anaconda.com/pkgs/main/win-64
https://repo.anaconda.com/pkgs/main/noarch
https://repo.anaconda.com/pkgs/r/win-64
https://repo.anaconda.com/pkgs/r/noarch
https://repo.anaconda.com/pkgs/msys2/win-64
https://repo.anaconda.com/pkgs/msys2/noarch
package cache : C:\Users\tsiklide\Anaconda3\pkgs
C:\Users\tsiklide\.conda\pkgs
C:\Users\tsiklide\AppData\Local\conda\conda\pkgs
envs directories : C:\Users\tsiklide\Anaconda3\envs
C:\Users\tsiklide\.conda\envs
C:\Users\tsiklide\AppData\Local\conda\conda\envs
platform : win-64
user-agent : conda/4.9.2 requests/2.24.0 cpython/3.8.5 Windows/10 Windows/10.0.18362
administrator : True
netrc file : None
offline mode : False
An unexpected error has occurred. Conda has prepared the above report.
Upload did not complete.
有人对这个问题有什么想法吗？ RDKit 是出了名的难以安装，但不幸的是我没有关于如何解决这个问题的线索。变通方法也很棒。
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