The Extensible Computational Chemistry Environment package (ECCE) by EMSL/PNNL has been forked and placed on github.
It is now under active development. Several bug fixes have been made, binary packages are being provided, and new features are being added.
All rejoice!
You can find the github repo here: https://github.com/FriendsofECCE/ECCE
There are three main branches, in increasing order of excitement:
* master
This branch has minimal changes from the PNNL code. It's basically in maintenance mode. Nothing exciting to see here.
* stable
Stable, like master, incorporates bug fixes, but also includes a few new features, such as SLURM support. A tiny bit of excitement to be had.
* develop
No holds barred, anything goes, everything's added. Might not suit everyone, but has got tons of fixes and features added, such as explicit g09 support and added selection options in the GUI.
28 June 2017
14 June 2017
638. ECCE on Centos 7
I use the minimal centos 7 iso from http://isoredirect.centos.org/centos/7/isos/x86_64/CentOS-7-x86_64-Minimal-1611.iso
It was pretty straightforward otherwise:
It was pretty straightforward otherwise:
su yum install vim csh gcc gcc-c++ gcc-gfortran java-1.7.0-openjdk-devel python-devel ant gtk2-devel libjpeg-turbo-devel libtool ImageMagick libXt-devel xterm mesa-libGLU-devel kernel-devel perl-Digest-Perl-MD5 perl-Digest-MD5 bzip2 perl-Env exit mkdir ~/tmp cd ~/tmp
Download ecce from http://ecce.pnl.gov/using/download.shtml into ~/tmp
tar xvf ecce-v7.0-src.tar.bz2 cd ecce-v7.0/ export ECCE_HOME=`pwd` cd build/ ./build_ecce ./build_ecce|tee xerxes.log ./build_ecce|tee mesa.log ./build_ecce|tee wxwidgets.log ./build_ecce|tee wxpython.log ./build_ecce|tee httpd.log ./build_ecce|tee ecce.logIf you want a desktop:
sudo yum -y groups install "GNOME Desktop"ECCE asks about netstat as well.
12 June 2017
637. ECCE on Ubuntu 16.04.2
I just tried to build ECCE on Ubuntu LTS 16.04.2 according to http://verahill.blogspot.com/2015/06/611-building-ecce-on-debian-jessie.html and it worked without a hitch. The only things that needed changing were
* from openjdk-7-jdk in debian to openjdk-8-jdk in ubuntu
* src/inv/flclient/flfreetype.c: <ftoutln.h> needed changing to <freetype/ftoutln.h>
* from openjdk-7-jdk in debian to openjdk-8-jdk in ubuntu
* src/inv/flclient/flfreetype.c: <ftoutln.h> needed changing to <freetype/ftoutln.h>
18 May 2017
636. Bulk convert mp4 file to mp3 (avconv/xargs)
I have mp4 files that have weird characters etc. in them.
To handle them, I used the following to convert them using xargs and avconv:
find *.mp4 -print0|sed 's/mp4//g'|xargs -0 -I {} avconv -i {}mp4 {}mp3
To handle them, I used the following to convert them using xargs and avconv:
find *.mp4 -print0|sed 's/mp4//g'|xargs -0 -I {} avconv -i {}mp4 {}mp3
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