{"id":743,"date":"2024-05-12T19:00:43","date_gmt":"2024-05-12T10:00:43","guid":{"rendered":"https:\/\/pfos.jp\/?p=743"},"modified":"2024-05-12T12:44:49","modified_gmt":"2024-05-12T03:44:49","slug":"molmass","status":"publish","type":"post","link":"https:\/\/pfos.jp\/?p=743","title":{"rendered":"Molmass"},"content":{"rendered":"

Molmass<\/a> \u306f\u5206\u5b50\u5f0f\u3092\u4e0e\u3048\u308b\u3068\u305d\u306e\u7cbe\u5bc6\u8cea\u91cf\u3092\u8fd4\u3057\u3066\u304f\u308c\u308b Python \u306e\u30a6\u30a7\u30d6\u30a2\u30d7\u30ea\u3067\u3059\u3002\u5b89\u5b9a\u540c\u4f4d\u4f53\u6a19\u8b58\u3055\u308c\u3066\u3044\u308b\u5185\u6a19\u6e96\u7269\u8cea\u306b\u3064\u3044\u3066\u3082\u7cbe\u5bc6\u8cea\u91cf\u3092\u8a08\u7b97\u3057\u3066\u304f\u308c\u308b\u306e\u3067\u3001\u6e2c\u5b9a\u30e1\u30bd\u30c3\u30c9\u3084\u5b9a\u91cf\u30e1\u30bd\u30c3\u30c9\u3092\u4f5c\u308b\u3068\u304d\u306b\u91cd\u5b9d\u3057\u3066\u3044\u307e\u3057\u305f\u3002\u65b0\u3057\u3044 Mac \u306b\u79fb\u884c\u3057\u305f\u3068\u304d\u74b0\u5883\u3082\u4f55\u304b\u3068\u5909\u308f\u3063\u305f\u305f\u3081\u3001\u4f55\u3084\u3089\u3053\u308c\u307e\u3067\u901a\u308a\u306b\u306f\u52d5\u304b\u306a\u304f\u306a\u3063\u3066\u3044\u307e\u3057\u305f\u3002<\/p>\n

<\/p>\n

\u518d\u5ea6\u3001molmass \u3092\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3057\u3088\u3046\u3068\u3059\u308b\u3068<\/p>\n

\n
% python3 -m pip install -U molmass\r\nerror: externally-managed-environment\r\n\r\n\u00d7 This environment is externally managed\r\n\u2570\u2500> To install Python packages system-wide, try brew install\r\n\u00a0 \u00a0 xyz, where xyz is the package you are trying to\r\n\u00a0 \u00a0 install.\r\n\r\n\u00a0 \u00a0 If you wish to install a Python library that isn't in Homebrew,\r\n\u00a0 \u00a0 use a virtual environment:\r\n\r\n\u00a0 \u00a0 python3 -m venv path\/to\/venv\r\n\u00a0 \u00a0 source path\/to\/venv\/bin\/activate\r\n\u00a0 \u00a0 python3 -m pip install xyz\r\n\u00a0\u00a0 \u00a0\r\n\u00a0 \u00a0 If you wish to install a Python application that isn't in Homebrew,\r\n\u00a0 \u00a0 it may be easiest to use 'pipx install xyz', which will manage a\r\n\u00a0 \u00a0 virtual environment for you. You can install pipx with\r\n\u00a0\u00a0 \u00a0\r\n\u00a0 \u00a0 brew install pipx\r\n\u00a0\u00a0 \u00a0\r\n\u00a0 \u00a0 You may restore the old behavior of pip by passing\r\n\u00a0 \u00a0 the '--break-system-packages' flag to pip, or by adding\r\n\u00a0 \u00a0 'break-system-packages = true' to your pip.conf file. The latter\r\n\u00a0 \u00a0 will permanently disable this error.\r\n\u00a0\u00a0 \u00a0\r\n\u00a0 \u00a0 If you disable this error, we STRONGLY recommend that you additionally\r\n\u00a0 \u00a0 pass the '--user' flag to pip, or set 'user = true' in your pip.conf\r\n\u00a0 \u00a0 file. Failure to do this can result in a broken Homebrew installation.\r\n\u00a0\u00a0 \u00a0\r\n\u00a0 \u00a0 Read more about this behavior here: <https:\/\/peps.python.org\/pep-0668\/>\r\n\r\nnote: If you believe this is a mistake, please contact your Python installation or OS distribution provider. You can override this, at the risk of breaking your Python installation or OS, by passing --break-system-packages.\r\nhint: See PEP 668 for the detailed specification.<\/code><\/pre>\n
\u3080\u3080\u3002\u4eca\u306f Homebrew \u00a0\u3067 Python \u3092\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3057\u3066\u3044\u307e\u3059\u304c\u3001Homebrew \u306b\u306a\u3044 Python \u30e9\u30a4\u30d6\u30e9\u30ea\u3092\u4f7f\u3046\u3068\u304d\u306f\u4eee\u60f3\u74b0\u5883\u3092\u4ed5\u3048\u3001\u3068\u3044\u3046\u3053\u3068\uff1f<\/p>\n
\u3069\u3046\u3084\u3089\u3001\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3057\u305f\u30e9\u30a4\u30d6\u30e9\u30ea\u306e\u4f9d\u5b58\u95a2\u4fc2\u3084\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u5148\u304c\u6df7\u4e71\u3057\u3066\u3057\u307e\u3046\u306e\u3067\u3001\u7279\u5b9a\u306e\u30e9\u30a4\u30d6\u30e9\u30ea\u3092\u5b9f\u884c\u3059\u308b\u305f\u3081\u306e\u4eee\u60f3\u74b0\u5883\u3092\u4f5c\u308b\u3053\u3068\u3092\u63a8\u5968\u3059\u308b\u3088\u3046\u306b\u306a\u3063\u3066\u3044\u308b\u3088\u3046\u3067\u3059\u3002\u307e\u3042\u3001–break-system-packages \u30aa\u30d7\u30b7\u30e7\u30f3\u3092\u4f7f\u3048\u3070\u3053\u308c\u307e\u3067\u306e\u3088\u3046\u306b\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3067\u304d\u308b\u3088\u3046\u3067\u3059\u3051\u3069\u306d\u3002\u78ba\u304b\u306b\u3001\u4ee5\u524d\u5165\u308c\u3066\u3044\u305f Molmass \u30e9\u30a4\u30d6\u30e9\u30ea\u306f \/Library\/Frameworks\/Python.framework \u306b\u76f4\u63a5\u5165\u3063\u3066\u3044\u305f\u3088\u3046\u3067\u3059\u3057\u3002<\/p>\n
\u3068\u3044\u3046\u308f\u3051\u3067\u3001\u4eca\u56de\u306f molmass \u3068\u3044\u3046\u4eee\u60f3\u74b0\u5883\u3092\u4f5c\u308a\u3001\u305d\u3053\u306b\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3057\u307e\u3059\u3002<\/p>\n<\/div>\n
\n
\n
% mkdir molmass\r\n% cd .\/molmass\r\n% python3 -m venv --system-site-packages --clear --prompt 'molmass' \\\r\n--upgrade-deps $(pwd)\/.venv<\/code><\/pre>\n<\/div>\n<\/div>\n
\u3053\u308c\u3067 molmass \u30d5\u30a9\u30eb\u30c0\u5185\u306b\u4eee\u60f3\u74b0\u5883\u304c\u3067\u304d\u307e\u3059\u3002\u3053\u306e\u4e2d\u8eab\u3092\u8997\u304f\u3068<\/p>\n
\n
% ls .venv\/bin\/ \r\nActivate.ps1 activate.csh pip pip3.12 python3 \r\nactivate activate.fish pip3 python python3.12<\/code><\/pre>\n<\/div>\n
\n
pip3 \u3084 python3 \u304c\u3044\u307e\u3059\u306d\u3002python3 \u306a\u3069\u306f\u30b7\u30f3\u30dc\u30ea\u30c3\u30af\u30ea\u30f3\u30af\u3067\u3059\u3002\u4eee\u60f3\u74b0\u5883\u3092\u59cb\u3081\u308b\u306b\u306f \u00a0activate \u3057\u307e\u3059\u3002\u3067\u306f\u6539\u3081\u3066\u3053\u3053\u306b Molmass \u3092\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3002<\/p>\n<\/div>\n
\n
% source .venv\/bin\/activate\r\n(molmass) % pip install -U molmass\r\nCollecting molmass\r\nDownloading molmass-2024.5.10-py3-none-any.whl.metadata (7.0 kB)\r\nDownloading molmass-2024.5.10-py3-none-any.whl (75 kB)\r\n\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501\u2501 75.2\/75.2 kB 6.0 MB\/s eta 0:00:00\r\nInstalling collected packages: molmass\r\nSuccessfully installed molmass-2024.5.10<\/code><\/pre>\n
molmass\/.venv \u306e\u4e2d\u306b Molmass \u304c\u30a4\u30f3\u30b9\u30c8\u30fc\u30eb\u3055\u308c\u307e\u3057\u305f\u3002\u3067\u3082\u3001\u30a6\u30a7\u30d6\u30a2\u30d7\u30ea\u3068\u3057\u3066\u5b9f\u884c\u3059\u308b\u306b\u306f \/.venv\/lib\/python3.12\/site-packages\/molmass \u306e\u4e2d\u306b\u5165\u3063\u3066\u3044\u308b web.py \u306b\u5b9f\u884c\u6a29\u9650\u3092\u3064\u3051\u306a\u3044\u3068\u3044\u3051\u306a\u3044\u306e\u3067<\/p>\n<\/div>\n
\n
(molmass) % chmod +x web.py<\/code><\/pre>\n<\/div>\n
\u3068\u3057\u3066\u304a\u304d\u307e\u3059\u3002\u3053\u308c\u3067 molmass \u3092\u8d77\u52d5\u3057\u307e\u3059\u3002<\/p>\n
\n
(molmass) % molmass --web\r\nRunning CGI script at http:\/\/127.0.0.1:5001\/web.py\r\n127.0.0.1 - - [12\/May\/2024 17:08:56] \"GET \/web.py HTTP\/1.1\" 200 -<\/code><\/pre>\n<\/div>\n
\"\"<\/a><\/p>\n
\u304a\u304a\u3002\u8d77\u52d5\u3057\u307e\u3057\u305f\u3002\u3067\u306f\u3001Diuron-d6 \u304b\u3089\u751f\u3058\u308b [M+H]+ \u306e\u8cea\u91cf\u3092\u8a08\u7b97\u3057\u3066\u307f\u307e\u3057\u3087\u3046\u3002C9H5D6Cl2N2O \u3092\u5165\u529b\u3057\u307e\u3059\u3002<\/p>\n
\"\"<\/a><\/p>\n
239.06250 \u304c\u7cbe\u5bc6\u8cea\u91cf\u3068\u3044\u3046\u3053\u3068\u306b\u306a\u308a\u307e\u3059\u3002\u5b9f\u969b\u306f\u96fb\u5b50\u306e\u8cea\u91cf\u3092\u5f15\u3044\u305f 239.06195 \u3092\u4f7f\u7528\u3057\u307e\u3059\u3002\u7d42\u308f\u308b\u3068\u304d\u306f<\/p>\n
\n
(molmass) % deactivate<\/code><\/pre>\n<\/div>\n
\u3068\u3059\u308c\u3070\u4eee\u60f3\u74b0\u5883\u304c\u7d42\u4e86\u3057\u307e\u3059\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"
Molmass \u306f\u5206\u5b50\u5f0f\u3092\u4e0e\u3048\u308b\u3068\u305d\u306e\u7cbe\u5bc6\u8cea\u91cf\u3092\u8fd4\u3057\u3066\u304f\u308c\u308b Python \u306e\u30a6\u30a7\u30d6\u30a2\u30d7\u30ea\u3067\u3059\u3002\u5b89\u5b9a\u540c\u4f4d\u4f53\u6a19\u8b58\u3055\u308c\u3066\u3044\u308b\u5185\u6a19\u6e96\u7269\u8cea\u306b\u3064\u3044\u3066\u3082\u7cbe\u5bc6\u8cea\u91cf\u3092\u8a08\u7b97\u3057\u3066\u304f\u308c\u308b\u306e\u3067\u3001\u6e2c\u5b9a\u30e1\u30bd\u30c3\u30c9\u3084\u5b9a\u91cf\u30e1\u30bd\u30c3\u30c9\u3092\u4f5c\u308b\u3068\u304d\u306b\u91cd\u5b9d\u3057\u3066\u3044\u307e […]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":[],"categories":[5],"tags":[],"_links":{"self":[{"href":"https:\/\/pfos.jp\/index.php?rest_route=\/wp\/v2\/posts\/743"}],"collection":[{"href":"https:\/\/pfos.jp\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/pfos.jp\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/pfos.jp\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/pfos.jp\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=743"}],"version-history":[{"count":7,"href":"https:\/\/pfos.jp\/index.php?rest_route=\/wp\/v2\/posts\/743\/revisions"}],"predecessor-version":[{"id":753,"href":"https:\/\/pfos.jp\/index.php?rest_route=\/wp\/v2\/posts\/743\/revisions\/753"}],"wp:attachment":[{"href":"https:\/\/pfos.jp\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=743"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/pfos.jp\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=743"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/pfos.jp\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=743"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}