A note on Java: I've only had luck with the openjdk packages -- not with the Oracle/sun java ones (see here: http://verahill.blogspot.com.au/2012/06/building-ecce-on-debian-testingwheezy.html).
This build was tested in a chrooted Testing/Wheezy i.e. I should've caught most of the necessary packages.
Compiling:
Download the source to ecce from http://ecce.emsl.pnl.gov/using/download.shtml, and put it in e.g. ~/tmp
sudo apt-get install bzip2 build-essential autoconf libtool ant pkg-config gtk+-2.0-dev libxt-dev csh gfortran openjdk-6-jdk python-dev libjpeg-dev imagemagick xtermcd ~/tmptar xvf ecce-v6.4-src.tar.bz2cd ecce-v6.4/export ECCE_HOME=`pwd`cd build/./build_ecceHit return if xterm was found... The /home/sandbox/tmp/ecce-v6.4/scripts/sysdir script identifies the buildplatform directory as: emptyBecause this value is empty no platform-specific parentdirectory will be created for ECCE executables, libraries, etc.This works fine unless your site needs support for multiple platforms.Finished checking prerequisites for building ECCE.Do you want to skip these checks for future build_ecce invocations (y/n)? Y./build_ecceXerces built./build_ecceMesa OpenGL built./build_eccewxWidgets built./build_eccerunning build_extwxPython built./build_ecceApache HTTP server built./build_ecceMaking combined tar file ecce.v6.4.tarCopying NWChem binary distribution nwchem-6.1.1-binary-rhel5-gcc4.1.2-m64.tar.bz2Copying NWChem common distribution nwchem-6.1.1-binary-common.tar.bz2Concatenating install script and combined tar file ecce.v6.4.tarcreate_ecce_bin finishedECCE built and distribution created in /home/sandbox/tmp/ecce-v6.4cd .././install_ecce.v6.4.csh
And see the next section for the installation steps.
The compilation steps take progressively longer and longer, so be patient during the build.
Installing:
Digital ink is cheap, so I'll show the whole process:
./install_ecce.v6.4.cshMain ECCE installation menu===========================1) Help on main menu options2) Prerequisite software check3) Full install4) Full upgrade5) Application software install6) Application software upgrade7) Server install8) Server upgradeIMPORTANT: If you are uncertain about any aspect of installingor running ECCE at your site, please refer to the detailedECCE Installation and Administration Guide at http://ecce.pnl.gov/docs/installation/2864B-Installation.pdfHitat prompts to accept the default value in brackets.Selection: [1] 3Host name: [beryllium] localhostApplication installation directory: [/home/sandbox/tmp/ecce-v6.4/ecce-v6.4/apps] /home/sandbox/.ecce/appsServer installation directory: [/home/sandbox/.ecce/server]ECCE v6.4 will be installed using the settings: Installation type: [full install] Host name: [localhost] Application installation directory: [/home/sandbox/.ecce/apps] Server installation directory: [/home/sandbox/.ecce/server]Are these choices correct (yes/no/quit)? [yes] Installing ECCE application software in /home/sandbox/.ecce/apps... Extracting application distribution... Extracting NWChem binary distribution... Extracting NWChem common distribution... Extracting client WebHelp distribution... Configuring application software... Configuring NWChem...Installing ECCE server in /home/sandbox/.ecce/server... Extracting data server in /home/sandbox/.ecce/server/httpd... Extracting data libraries in /home/sandbox/.ecce/server/data... Extracting Java Messaging Server in /home/sandbox/.ecce/server/activemq... Configuring ECCE server...ECCE installation succeeded.***************************************************************!! You MUST perform the following steps in order to use ECCE !!-- Unless only the user 'sandbox' will be running ECCE, start the ECCE server as 'sandbox' with: /home/sandbox/.ecce/server/ecce-admin/start_ecce_server-- To register machines to run computational codes, please see the installation and compute resource registration manuals at http://ecce.pnl.gov/using/installguide.shtml-- Before running ECCE each user must source an environment setup script. For csh/tcsh users add this to ~/.cshrc: if ( -e /home/sandbox/.ecce/apps/scripts/runtime_setup ) then source /home/sandbox/.ecce/apps/scripts/runtime_setup endif For sh/bash users, add this to ~/.profile or ~/.bashrc: if [ -e /home/sandbox/.ecce/apps/scripts/runtime_setup.sh ]; then . /home/sandbox/.ecce/apps/scripts/runtime_setup.sh fi***************************************************************
Instead of following the instructions above I normally do:
echo 'export ECCE_HOME=/home/sandbox/.ecce/apps' >> ~/.bashrcecho 'PATH=$PATH:/home/sandbox/.ecce/server/ecce-admin/:/home/sandbox/.ecce/apps/scripts/' >> ~/.bashrcecho source ~/.bashrc
You can now start ecce by either doing
ecce
or if that complains, do
start_ecce_server
then waiting a little while (10 s), followed by
ecce
Apppendix:
Selecting Java version
sudo update-alternatives --config javaThere are 7 choices for the alternative java (providing /usr/bin/java). Selection Path Priority Status------------------------------------------------------------ 0 /usr/lib/jvm/java-6-openjdk-amd64/jre/bin/java 1061 auto mode 1 /usr/bin/gij-4.4 1044 manual mode 2 /usr/bin/gij-4.6 1046 manual mode 3 /usr/bin/gij-4.7 1047 manual mode 4 /usr/lib/jvm/j2re1.6-oracle/bin/java 314 manual mode 5 /usr/lib/jvm/j2sdk1.6-oracle/jre/bin/java 315 manual mode 6 /usr/lib/jvm/java-6-openjdk-amd64/jre/bin/java 1061 manual mode* 7 /usr/lib/jvm/java-7-openjdk-amd64/jre/bin/java 1051 manual mode
I've got ECCE running fine with openjdk 7 as well as openjdk 6.
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