scripts update

pymolfile @ 31dffe5e

-Subproject commit 38a7cc22b97c7690ffbee81f01b44a0b688a82ca
+Subproject commit 31dffe5e3a0f23991e49d483f5a3192d6827eb0d

tutorials @ 99002ac2

-Subproject commit f5bbb651d294b0f037d456ec0728f5a31e7d0ab0
+Subproject commit 99002ac2c850b645794c3465b532930489b50dfd

repo-tags @ 5a515db1

-Subproject commit 74a7610c9052f925a600cc2dddf4682c443cb8d0
+Subproject commit 5a515db1c70ff89c26e063c0b113c9e9cfbbc83d

system-type @ de3f7066

-Subproject commit 67651b6f3c324d660945c4d7e91410f65b7dfa12
+Subproject commit de3f7066db9c78d3d76a1e69f06c6020334a7c11

abinit @ eb29597e

-Subproject commit 6292dabaaa058ccfb56b112809daa7eff2d5255a
+Subproject commit eb29597ec073b45f0edb2e5834de6e86bcf065ce

amber @ 06a9d552

-Subproject commit 15a345ab278b8e502b0962ff8c404f53d4d976e0
+Subproject commit 06a9d552160b388d77c372b0fd3460f216df4a30

castep @ bc76a614

-Subproject commit 63ef6ce76696ee7b381869c8e2356b4aba587549
+Subproject commit bc76a6148e1df66bb603670bb63abc9f3fc6abfa

cp2k @ bc9a0527

-Subproject commit b7ecdc03803a4c8af939333af24ec82a97febb5a
+Subproject commit bc9a0527c03f8c93a4b2a2d28797458119ec8150

cpmd @ d2d9a1e8

-Subproject commit eec87d55143a9b068d14724dcbda6604986082d1
+Subproject commit d2d9a1e8394293eb04a87665e007696526d9fd8a

crystal @ b72c4ab1

-Subproject commit 264d0c9e3c7ab4a2678dbbb8b30258828e0fc842
+Subproject commit b72c4ab1e2aface69ce895bd1d8f3c68e5edd3db

dftb-plus @ 99da71ab

-Subproject commit 4023369311c2ffe6050bc83a649b0a0b79f9def1
+Subproject commit 99da71ab3682d4b4ddc63ce090d4b2e22789406c

elastic @ 311fc463

-Subproject commit 0f0e1e13a7677bf566e31867cdd64bdc466c1b65
+Subproject commit 311fc4637254ca7d8ec165374118a567f9664b4f

elk @ 985c008d

-Subproject commit 7165d25bc83211ad4d0c7aacd5a81e9ce9ff2e9d
+Subproject commit 985c008d503920ce05d14fac8002c709d714f46d

exciting @ 56c1aefd

-Subproject commit 7994437d627b07a2883466f4daa5135262c4ef63
+Subproject commit 56c1aefd5a9ce9a68dffaefcad3c13de14b7770a

fhi-aims @ 907bad48

-Subproject commit ca640f0cfa0df33922d504e259ce38c843f2ed3d
+Subproject commit 907bad489ce10091e375349cc28ad78637f3dab6

fleur @ 2fbc9292

-Subproject commit 294ac55bf4fcf1118d3c7679ba096cd3dc92df9b
+Subproject commit 2fbc929285b515eb3ee4e86caa2f340ae779ae08

gromacs @ d6f4fcf2

-Subproject commit 31cb9f618cb9dc0ac56a3d377d45743cec43453c
+Subproject commit d6f4fcf27795aec6f951cc58c94a728314f50df0

gulp @ 0f3a8b0f

-Subproject commit 65e306537a1e265fd9d0fa550be95ae6ff65e114
+Subproject commit 0f3a8b0f16c248e41176c86e3c977fc71132ce2c

lammps @ aefc7235

-Subproject commit 5ced8ea72ea3e0f378ce5fd7baa66a5aa4c1ba30
+Subproject commit aefc7235c3838ee76ed6123604f8ca117780cd86

molcas @ f7510cfa

-Subproject commit 9ae0c17252a6846c046f33babf5e9935be172a17
+Subproject commit f7510cfacc362b15c43b143a8c7916f2d0279a8d

namd @ 65e0f16a

-Subproject commit 85f3881f93d3de4a3b14640ad7c59ddbb04892d8
+Subproject commit 65e0f16a26bbfd790e5ffb338f5cbe6f368ab6be

nwchem @ ea52d86d

-Subproject commit 0e7820e66a7ebaac649b76bce84e3bd26ee0d34c
+Subproject commit ea52d86d01b8fa0ec9e08bac84361c4330e65c79

octopus @ 9d18bf86

-Subproject commit 603bf304518cfcd8d9601ad8db157d2cce3b91ee
+Subproject commit 9d18bf86b5697c992399b250d0a2ef6f0cc2a6b2

siesta @ 8e163895

-Subproject commit 5703e4070072afd7c46e5a36cd863eba708cb5af
+Subproject commit 8e163895c612a8afdeb6de7e7cf7dcc2db60bfaf

turbomole @ 07b0ad66

-Subproject commit 28067585625015d01b8df2e6dc8a2398e255b128
+Subproject commit 07b0ad66c9cf41d1c4c346dfde7363e043dc20a2

vasp @ 25b4bf58

-Subproject commit abf9f966b6c584c450e49b57e29ed0de022becdc
+Subproject commit 25b4bf585c87aad84dc7aed83dce0c946111b9cd

wien2k @ 8086a2af

-Subproject commit 0313048f6ea85acb5471bd3d98dc528dba4cc587
+Subproject commit 8086a2af0b6628eada0f7f37a9a93d349026426d

utils/eos/createMergeJob.sh

@@ -36,12 +36,15 @@ CMD="java  -Dnomad_lab.configurationToUse=eos_prod -Deos_prod.nomad_lab.replacem
 
 #CMD=
 cd /nomad/nomadlab/parsed/prod-1.11.4
-for src in ../prod-037-logs/merge-a[f-j]; do
+for src in ../prod-1.11.4-logs/remerge-a[a-d].todo; do
     (
     for r in $( cat $src ) ; do
-         echo $r
-         mkdir -p ../prod-1.11.4s/S${r:1:2}
-         java -Djava.library.path=/u/fawzi/lib -jar /u/fawzi/jars/nomadTool-assembly-1.10.1-510-g8b6a2aa5-dirty.jar merge --merge-h5 ../prod-1.11.4s/S${r:1:2}/S${r:1}.h5 */$r/*.h5 &> $src.log
+        echo $r
+        if [ -e "../prod-1.11.4s/S${r:1:2}/S${r:1}.h5.lock" ] ; then
+            rm "../prod-1.11.4s/S${r:1:2}/S${r:1}.h5.lock"
+        fi
+        mkdir -p ../prod-1.11.4s/S${r:1:2}
+        java -Djava.library.path=/u/fawzi/lib -jar /u/fawzi/jars/nomadTool-assembly-1.10.1-510-g8b6a2aa5-dirty.jar merge --merge-h5 ../prod-1.11.4s/S${r:1:2}/S${r:1}.h5 */$r/*.h5 &> $src.log
      done
      ) &
 done

utils/frontendNginx.sh

@@ -5,7 +5,8 @@ docker run -d \
  -v /root/nomad-coe:/etc/certs:ro \
  -v /nomad/nomadlab/beaker-notebooks/labtest-prod/nginx.conf:/etc/nginx/nginx.conf:ro \
  -v /nomad/nomadlab/beaker-notebooks/labtest-prod/www-root:/usr/share/nginx/html:ro \
- -p 80:80 -p 443:443 -p 5509:5509 --name frontendNginx nginx
+ -v /nomad/nomadlab/beaker-notebooks/labtest-prod/client_temp:/etc/nginx/client_temp \
+ -p 80:80 -p 443:443 -p 5509:5509 --name frontendNginx2 nginx
 
 # on labdev