This commit is contained in:
2015-06-05 14:09:36 +01:00
parent 4c74bdab15
commit bcc1194d48
12 changed files with 376 additions and 8 deletions

12
images/webmo/build Normal file
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/opt/docker/bin/build lighttpd
DIR=`dirname $0`
DIR=`readlink -e $DIR`
BASE=`basename $DIR`
IFS='/' read -ra ADDR <<< "$DIR"
CONTAINER=${ADDR[-2]}
echo $DIR
cp "/media/mercury/Software/Install/Science/Gaussian/Gaussian 09 Unix.tgz" ${DIR}/../gaussian.tgz
cp "/media/mercury/Software/Install/Science/WebMO/WebMO.14.0.006.tar.gz" ${DIR}/../webmo.tgz
docker build -t $CONTAINER ${DIR}/../
rm ${DIR}/../gaussian.tgz
rm ${DIR}/../webmo.tgz

17
images/webmo/gaussian.int Normal file
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interfaceDescription{'gaussian'}="Ab initio and semi-empirical calculations"
interfaceDescription{'gaussian_admin'}="Edit preferences specific to Gaussian"
interfaceDescription{'gaussian_name'}="Gaussian"
gaussianVersion="g09"
gaussianBase="/opt/g09"
gaussianRoot="/opt"
GAUSS_EXEDIR="/opt/g09/bsd:/opt/g09/private:/opt/g09"
GMAIN="/opt/g09/bsd:/opt/g09/private:/opt/g09"
LD_LIBRARY_PATH="/opt/g09/bsd:/opt/g09/private:/opt/g09"
gaussianBasis="/opt/g09/basis"
nodesMin="1"
nodesMax="1"
nodesDefault="1"
ppnMin="1"
ppnMax="1"
ppnDefault="1"
nodeTypeDefault=""

52
images/webmo/globals.int Normal file
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catPath="/bin/cat"
cgiBase="/opt/webmo/source/cgi-bin"
chmodPath="/bin/chmod"
chownPath="/bin/chown"
cpOptions="-r"
cpPath="/bin/cp"
externalAuthentication=""
externalBatchQueue=""
host=""
htmlBase="/opt/webmo/source"
killPath="/bin/kill"
license="1207-1902-5611"
loginMsg=""
loginMsgTimestamp=""
mkdirPath="/bin/mkdir"
mvPath="/bin/mv"
ncores="1"
owner="Computational Chemistry on the WWW"
perlPath="/usr/bin/perl"
psOptions="-ef"
psPath="/bin/ps"
psRegExp="(\$pid, \$ppid, \$cpu_time) = /.{8}(.{6})(.{6}).{3}.{6}.{2}(.{16}).*/"
rcpPath=""
rmOptions="-rf"
rmPath="/bin/rm"
rshPath=""
scpOptions=""
scpPath=""
sendmailOptions="-t"
sendmailPath=""
servers=",0"
sshOptions=""
sshPath=""
sudoEnabled=""
sudoPath="/usr/bin/sudo"
systemScratch="/tmp"
tarOptions="cf"
tarPath="/bin/tar"
unamePath="/bin/uname"
uniqueId="39"
unzipPath=""
url_cgiBase="/cgi-bin"
url_htmlBase=""
userBase="/host/var/webmo"
userStorageEnabled=""
version="14.0.006"
webserver=""
webserverProtocol=""
whereisPath="/usr/bin/whereis"
zcatPath="/bin/zcat"
zipOptions="-r -q"
zipPath=""