【Python】化学の問題を解決するのに役立つ「chempy」のインストールについて解説しています。
「chempy（https://github.com/bjodah/chempy）」は、化学（主に物理化学/無機化学/分析化学）に役立つPythonのライブラリです。
■Python
今回のPythonのバージョンは、「3.8.5」を使用しています。（Windows11）
■chempyをインストールする
chempyをインストールを行いますが、今回はpipを経由してインストールを行うので、まずWindowsのコマンドプロンプトを起動します。
pip install chempy
起動後、上記のコマンドを入力し、Enterキーを押します。
なお、今回は、pythonランチャーを使用しており、Python Version 3.8.5にインストールを行うために、バージョンの切り替えを行います。
py -3.8 -m pip install chempy
切り替えるために、上記のコマンドを入力し、Enterキーを押します。
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Using legacy 'setup.py install' for pyneqsys, since package 'wheel' is not installed.
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Installing collected packages: zipp, rpds-py, referencing, importlib-resources, traitlets, pywin32, platformdirs, pkgutil-resolve-name, jsonschema-specifications, tornado, pyzmq, jupyter-core, jsonschema, importlib-metadata, fastjsonschema, arrow, webencodings, webcolors, uri-template, soupsieve, rfc3986-validator, rfc3339-validator, pywinpty, nbformat, jupyter-client, jsonpointer, isoduration, fqdn, wcwidth, tinycss2, terminado, sniffio, python-json-logger, pygments, pure-eval, parso, pandocfilters, packaging, nbclient, mistune, jupyterlab-pygments, executing, exceptiongroup, defusedxml, bleach, beautifulsoup4, asttokens, argon2-cffi-bindings, websocket-client, stack-data, Send2Trash, prompt-toolkit, prometheus-client, pickleshare, overrides, nbconvert, matplotlib-inline, jupyter-server-terminals, jupyter-events, jedi, decorator, backcall, argon2-cffi, anyio, psutil, nest-asyncio, jupyter-server, ipython, debugpy, comm, numpy, notebook-shim, ipython-genutils, ipykernel, pyparsing, pillow, nbclassic, mpmath, kiwisolver, fonttools, cycler, contourpy, sympy, sym, scipy, notebook, matplotlib, quantities, pyodesys, pyneqsys, pulp, dot2tex, chempy
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Running setup.py install for sym ... done
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WARNING: The script dot2tex.exe is installed in 'C:\Users\user_\AppData\Roaming\Python\Python38\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Successfully installed Send2Trash-1.8.2 anyio-3.7.1 argon2-cffi-21.3.0 argon2-cffi-bindings-21.2.0 arrow-1.2.3 asttokens-2.2.1 backcall-0.2.0 beautifulsoup4-4.12.2 bleach-6.0.0 chempy-0.8.3 comm-0.1.3 contourpy-1.1.0 cycler-0.11.0 debugpy-1.6.7 decorator-5.1.1 defusedxml-0.7.1 dot2tex-2.11.3 exceptiongroup-1.1.2 executing-1.2.0 fastjsonschema-2.17.1 fonttools-4.41.0 fqdn-1.5.1 importlib-metadata-6.8.0 importlib-resources-6.0.0 ipykernel-6.24.0 ipython-8.12.2 ipython-genutils-0.2.0 isoduration-20.11.0 jedi-0.18.2 jsonpointer-2.4 jsonschema-4.18.4 jsonschema-specifications-2023.7.1 jupyter-client-8.3.0 jupyter-core-5.3.1 jupyter-events-0.6.3 jupyter-server-2.7.0 jupyter-server-terminals-0.4.4 jupyterlab-pygments-0.2.2 kiwisolver-1.4.4 matplotlib-3.7.2 matplotlib-inline-0.1.6 mistune-3.0.1 mpmath-1.3.0 nbclassic-1.0.0 nbclient-0.8.0 nbconvert-7.7.1 nbformat-5.9.1 nest-asyncio-1.5.6 notebook-6.5.4 notebook-shim-0.2.3 numpy-1.24.4 overrides-7.3.1 packaging-23.1 pandocfilters-1.5.0 parso-0.8.3 pickleshare-0.7.5 pillow-10.0.0 pkgutil-resolve-name-1.3.10 platformdirs-3.9.1 prometheus-client-0.17.1 prompt-toolkit-3.0.39 psutil-5.9.5 pulp-2.7.0 pure-eval-0.2.2 pygments-2.15.1 pyneqsys-0.5.7 pyodesys-0.14.2 pyparsing-3.0.9 python-json-logger-2.0.7 pywin32-306 pywinpty-2.0.11 pyzmq-25.1.0 quantities-0.14.1 referencing-0.30.0 rfc3339-validator-0.1.4 rfc3986-validator-0.1.1 rpds-py-0.9.2 scipy-1.10.1 sniffio-1.3.0 soupsieve-2.4.1 stack-data-0.6.2 sym-0.3.5 sympy-1.12 terminado-0.17.1 tinycss2-1.2.1 tornado-6.3.2 traitlets-5.9.0 uri-template-1.3.0 wcwidth-0.2.6 webcolors-1.13 webencodings-0.5.1 websocket-client-1.6.1 zipp-3.16.2
WARNING: You are using pip version 21.1.1; however, version 23.2 is available.
You should consider upgrading via the 'C:\Program Files\Python38\python.exe -m pip install --upgrade pip' command.Enterキーを押すと、インストールが開始され、上記のように「Successfully installed」と表示されます。これが表示されれば、chempyが正常にインストールされたことになりますが、「WARNING」と表示されました。「WARNING」はエラーではなく警告で、インストールは行われているので、今回は一旦無視しています。
なお、今回はchempyのバージョン0.8.3をインストールしました。
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