{"id":710,"date":"2020-11-11T09:26:33","date_gmt":"2020-11-11T01:26:33","guid":{"rendered":"https:\/\/www.cxybj.com\/?p=710"},"modified":"2020-11-11T09:26:33","modified_gmt":"2020-11-11T01:26:33","slug":"centos7%e5%ae%89%e8%a3%85open-babel%e7%bb%91%e5%ae%9apython","status":"publish","type":"post","link":"https:\/\/www.cxybj.com\/?p=710","title":{"rendered":"centos7\u5b89\u88c5Open Babel\u7ed1\u5b9aPython"},"content":{"rendered":"

Github\u4e0b\u8f7d<\/strong>\uff1aopenbabel<\/a><\/p>\n

\"\"<\/a><\/p>\n

\u5b89\u88c5\u4f9d\u8d56\u5e93<\/strong><\/p>\n

Eigen\u9664\u4e86C ++\u6807\u51c6\u5e93\u5916\u6ca1\u6709\u4efb\u4f55\u4f9d\u8d56\u9879\u3002<\/span><\/p>\n

\u6211\u4eec\u4f7f\u7528CMake\u6784\u5efa\u7cfb\u7edf\uff0c\u4f46\u4ec5\u7528\u4e8e\u6784\u5efa\u6587\u6863\u548c\u5355\u5143\u6d4b\u8bd5\u4ee5\u53ca\u81ea\u52a8\u5b89\u88c5\u3002\u5982\u679c\u53ea\u60f3\u4f7f\u7528Eigen\uff0c\u5219\u53ef\u4ee5\u7acb\u5373\u4f7f\u7528\u5934\u6587\u4ef6\u3002\u6ca1\u6709\u8981\u94fe\u63a5\u7684\u4e8c\u8fdb\u5236\u5e93\uff0c\u4e5f\u6ca1\u6709\u914d\u7f6e\u7684\u5934\u6587\u4ef6\u3002Eigen\u662f\u6807\u5934\u4e2d\u5b9a\u4e49\u7684\u7eaf\u6a21\u677f\u5e93\u3002<\/span><\/p>\n

yum install<\/span>\u00a0 boost\u00a0 boost-devel \u00a0boost-doc gcc\u00a0 gcc-c++\u00a0 make cmake zlib-devel libxml2-devel cairo-devel python-devel<\/p>\n

Eigen\u5e93\u5b89\u88c5\uff0c\u76f4\u63a5\u4e0b\u8f7d<\/a>\u89e3\u538b\u81f3usr\/local\/include<\/p>\n

\"\"<\/a><\/p>\n

 <\/p>\n

\u7f16\u8bd1\u5b89\u88c5\uff1a<\/p>\n

tar zxvf openbabel-3.1.1-source.tar.bz2<\/span><\/a>
\nmkdir build
\ncd build
\ncmake ..\/openbabel-3.1.1\u00a0-DPYTHON_BINDINGS=ON #\u7f16\u8bd1\u5b89\u88c5Python\u7ed1\u5b9a
\nmake
\nmake test
\nmake install<\/p>\n

\u914d\u7f6e\u53d8\u91cf<\/strong><\/p>\n

gedit ~\/.bashrc
\n#open babel export PATH=\/usr<\/span>\/local\/bin<\/span>:$PATH
\nexport LD_LIBRARY_PATH=$LD_LIBRARY_PATH:<\/span>\/usr\/local\/lib<\/span><\/span>
\nexport PYTHONPATH=\/usr\/local<\/span>\/lib\/(python\u8def\u5f84)<\/span>\/site-packages:<\/span>$PYTHONPATH
\nsource ~\/.bashrc<\/span><\/p>\n","protected":false},"excerpt":{"rendered":"

Github\u4e0b\u8f7d\uff1aopenbabel \u5b89\u88c5\u4f9d\u8d56\u5e93 Eigen … Read More<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":[],"categories":[4],"tags":[],"_links":{"self":[{"href":"https:\/\/www.cxybj.com\/index.php?rest_route=\/wp\/v2\/posts\/710"}],"collection":[{"href":"https:\/\/www.cxybj.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.cxybj.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.cxybj.com\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.cxybj.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=710"}],"version-history":[{"count":1,"href":"https:\/\/www.cxybj.com\/index.php?rest_route=\/wp\/v2\/posts\/710\/revisions"}],"predecessor-version":[{"id":713,"href":"https:\/\/www.cxybj.com\/index.php?rest_route=\/wp\/v2\/posts\/710\/revisions\/713"}],"wp:attachment":[{"href":"https:\/\/www.cxybj.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=710"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.cxybj.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=710"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.cxybj.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=710"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}