Merge branch 'master' of https://github.com/Boukefalos/docker-deployment

2015-06-05 14:09:36 +01:00
parent 4c74bdab15
commit bcc1194d48
12 changed files with 376 additions and 8 deletions
--- a/images/webmo/gaussian.int
+++ b/images/webmo/gaussian.int
@@ -0,0 +1,17 @@
+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=""