Build info:
\navogadro build (needs EIGEN2, doesn’t work with EIGEN3 !)
\n==================
\nRequirements
\n — CMake 2.6.0 or later (2.8.0 recommended)
\n\t–> module load cmake
\n — Qt 4.5.0 or later (4.5.3 recommended)
\n\t–> module load qt
\n — OpenBabel 2.2.2 or later (development version from
\n http:\/\/openbabel.svn.sourceforge.net\/svnroot\/openbabel\/openbabel\/trunk is recommended)
\n\t–> module load openbabel<\/p>\n
— Eigen 2.0.3 or later (2.0.9 recommended)<\/p>\n
(get openbabel via module load openbabel)<\/p>\n
cmake ..\/ -DCMAKE_INSTALL_PREFIX=\/software\/avogadro\/1.1.0 -DEIGEN2_INCLUDE_DIR=\/software\/eigen\/2.0.17\/include
\nmake -j2
\nmake install<\/p>\n
openbabel build
\n======================
\nRequirements
\n============
\n — CMake 2.4.8 or later
\n–> module load cmake<\/p>\n
— Eigen 2.0.3 or later (optional)<\/p>\n
–> eigen install, only include files.
\n\tbecause cmake for openbabel points to
\n\/software\/eigen\/2.0.17\/include\/Eigen\/src\/Core\/util\/Macros.h<\/p>\n
but eigen include path is this:
\n\/software\/eigen\/2.0.17\/include\/eigen2\/Eigen\/src\/Core\/util\/Macros.h<\/p>\n
had to create softlink in
\n\/software\/eigen\/2.0.17\/include\/:
\nln -s eigen2\/Eigen .<\/p>\n
— libxml2 (optional)
\n –> was found
\n — zlib (optional)
\n was found
\n— wxWidgets 2.8 (optional, needed to build GUI)<\/p>\n
—-> module load wxGTK<\/p>\n
cmake ..\/ -DCMAKE_INSTALL_PREFIX=\/software\/openbabel\/2.3.2 -DEIGEN2_INCLUDE_DIR=\/software\/eigen\/2.0.17\/include<\/p>\n
(this complains that EIGEN3 can’t be found, but make completes anyway, obgui opens when gcc-4.7.2 is default compiler)<\/p>\n
make -j2
\nmake install<\/p>\n","protected":false},"excerpt":{"rendered":"
Build info: avogadro build (needs EIGEN2, doesn’t work with EIGEN3 !) ================== Requirements — CMake 2.6.0 or later (2.8.0 recommended) –> module load cmake — Qt 4.5.0 or later (4.5.3 recommended) –> module load qt — OpenBabel 2.2.2 or later (development version from http:\/\/openbabel.svn.sourceforge.net\/svnroot\/openbabel\/openbabel\/trunk is recommended) –> module load openbabel — Eigen 2.0.3 or later […]<\/p>\n","protected":false},"author":31,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_bbp_topic_count":0,"_bbp_reply_count":0,"_bbp_total_topic_count":0,"_bbp_total_reply_count":0,"_bbp_voice_count":0,"_bbp_anonymous_reply_count":0,"_bbp_topic_count_hidden":0,"_bbp_reply_count_hidden":0,"_bbp_forum_subforum_count":0,"footnotes":""},"class_list":["post-876","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/sites.miamioh.edu\/researchcomputing\/wp-json\/wp\/v2\/pages\/876","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/sites.miamioh.edu\/researchcomputing\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/sites.miamioh.edu\/researchcomputing\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/sites.miamioh.edu\/researchcomputing\/wp-json\/wp\/v2\/users\/31"}],"replies":[{"embeddable":true,"href":"https:\/\/sites.miamioh.edu\/researchcomputing\/wp-json\/wp\/v2\/comments?post=876"}],"version-history":[{"count":1,"href":"https:\/\/sites.miamioh.edu\/researchcomputing\/wp-json\/wp\/v2\/pages\/876\/revisions"}],"predecessor-version":[{"id":877,"href":"https:\/\/sites.miamioh.edu\/researchcomputing\/wp-json\/wp\/v2\/pages\/876\/revisions\/877"}],"wp:attachment":[{"href":"https:\/\/sites.miamioh.edu\/researchcomputing\/wp-json\/wp\/v2\/media?parent=876"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}