{"id":797,"date":"2020-03-18T23:40:41","date_gmt":"2020-03-19T03:40:41","guid":{"rendered":"https:\/\/sites.bu.edu\/mcneely\/?page_id=797"},"modified":"2025-08-25T15:24:36","modified_gmt":"2025-08-25T19:24:36","slug":"avogadro","status":"publish","type":"page","link":"https:\/\/sites.bu.edu\/mcneely\/videos\/avogadro\/","title":{"rendered":"AVOGADRO"},"content":{"rendered":"<div class=\"bu_collapsible_container \" aria-live=\"polite\" data-customize-animation=\"false\"><h3 class=\"bu_collapsible\" aria-expanded=\"false\"tabindex=\"0\" role=\"button\">Installation<\/h3><div class=\"bu_collapsible_section\" style=\"display: none;\">\n<ul>\n<li>Windows Binary Installation\n<ul>\n<li><a href=\"https:\/\/nightly.link\/OpenChemistry\/avogadrolibs\/workflows\/build_cmake\/master\/Win64.exe.zip\">DOWNLOAD HERE<\/a><\/li>\n<\/ul>\n<\/li>\n<li>Mac Binary Installation\n<ul>\n<li><a href=\"https:\/\/nightly.link\/OpenChemistry\/avogadrolibs\/workflows\/build_cmake\/master\/macOS.dmg.zip\">DOWNLOAD HERE<\/a><\/li>\n<\/ul>\n<\/li>\n<li>Linux AppImage Installation\n<ul>\n<li><a href=\"https:\/\/nightly.link\/OpenChemistry\/avogadrolibs\/workflows\/build_linux\/master\/Avogadro2-x86_64.AppImage.zip\">DOWNLOAD HERE<\/a><\/li>\n<\/ul>\n<\/li>\n<li>Windows ORCA Compatible Installation\n<ul>\n<li>Download <a href=\"https:\/\/orcaforum.kofo.mpg.de\/app.php\/dlext\/?cat=7\">here<\/a> after creating an ORCA user account (free)<\/li>\n<\/ul>\n<\/li>\n<li>SCC Installation<\/li>\n<li>Other Linux Installation\n<ul>\n<li>Clone the repository: <code>git clone --recursive git:\/\/github.com\/OpenChemistry\/openchemistry.git<\/code><\/li>\n<li>Prerequisites:\n<ul>\n<li>C++ Compiler that supports C++11\n<ul>\n<li>Centos 7:\n<ul>\n<li><code>sudo yum install centos-release-scl<\/code><\/li>\n<li><code>sudo yum install devtoolset-9<\/code><\/li>\n<li>Enable scl by default:\n<ol>\n<li><code>echo \"source \/opt\/rh\/devtoolset-9\/enable\" >> ~\/.bashrc<\/code><\/li>\n<li>Restart the terminal<\/li>\n<\/ol>\n<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<\/li>\n<li>OpenGL\n<ul>\n<li>Centos: <code>sudo yum install freeglut-devel<\/code><\/li>\n<\/ul>\n<\/li>\n<li>Qt 5.6 or higher\n<ul>\n<li>Centos: <code>sudo yum install qt5-qtbase-devel<\/code><\/li>\n<\/ul>\n<\/li>\n<li>CMake 3.3 or higher\n<ul>\n<li>Centos: <code>sudo yum install cmake3<\/code><\/li>\n<\/ul>\n<\/li>\n<li>LibXML:\n<ul>\n<li>Centos: <code>sudo yum install libxml2-devel<\/code><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<\/li>\n<li><code>mkdir openchemistry-build<\/code><\/li>\n<li><code>cd openchemistry-build<\/code><\/li>\n<li><code>cmake ..\/openchemistry<\/code><\/li>\n<li><code>cmake --build . --config Release<\/code><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p><\/div>\n<\/div>\n<br \/>\n<div class=\"bu_collapsible_container \" aria-live=\"polite\" data-customize-animation=\"false\"><h3 class=\"bu_collapsible\" aria-expanded=\"false\"tabindex=\"0\" role=\"button\">Building Molecules<\/h3><div class=\"bu_collapsible_section\" style=\"display: none;\"><\/p>\n<ul>\n<li><a href=\"\/mcneely\/videos\/avogadro\/building-1\/\">Building Molecules &#8211; 1<\/a><\/li>\n<li><a href=\"\/mcneely\/videos\/avogadro\/building-2\/\">Building Molecules &#8211; 2<\/a><\/li>\n<\/ul>\n<p><\/div>\n<\/div>\n<br \/>\n<div class=\"bu_collapsible_container \" aria-live=\"polite\" data-customize-animation=\"false\"><h3 class=\"bu_collapsible\" aria-expanded=\"false\"tabindex=\"0\" role=\"button\">Examining Results<\/h3><div class=\"bu_collapsible_section\" style=\"display: none;\"><br \/>\n<\/div>\n<\/div>\n<\/p>\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":10766,"featured_media":0,"parent":28,"menu_order":25,"comment_status":"closed","ping_status":"closed","template":"","meta":[],"_links":{"self":[{"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/pages\/797"}],"collection":[{"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/users\/10766"}],"replies":[{"embeddable":true,"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/comments?post=797"}],"version-history":[{"count":50,"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/pages\/797\/revisions"}],"predecessor-version":[{"id":1617,"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/pages\/797\/revisions\/1617"}],"up":[{"embeddable":true,"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/pages\/28"}],"wp:attachment":[{"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/media?parent=797"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}