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Add more apps for tagger

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This commit is contained in:
Jan Eitzinger 2025-06-06 16:04:37 +02:00
parent 249128e011
commit 3d6dca9386
14 changed files with 32 additions and 4 deletions
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1
internal/tagger/apps/alf.txt Normal file
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@ -0,0 +1 @@
alf

7
internal/tagger/apps/caracal.txt Normal file
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@ -0,0 +1,7 @@
calc_rate
qmdffgen
dynamic
evbopt
explore
black_box
poly_qmdff

3
internal/tagger/apps/chroma.txt Normal file
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@ -0,0 +1,3 @@
chroma
qdp
qmp

1
internal/tagger/apps/cp2k.txt Normal file
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@ -0,0 +1 @@
cp2k

1
internal/tagger/apps/cpmd.txt Normal file
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@ -0,0 +1 @@
cpmd

1
internal/tagger/apps/flame.txt Normal file
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@ -0,0 +1 @@
flame

3
internal/tagger/apps/gromacs.txt
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@ -1,4 +1,3 @@
GROMACS
gromacs
GMX
gmx
mdrun

1
internal/tagger/apps/lammps.txt Normal file
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@ -0,0 +1 @@
lmp

1
internal/tagger/apps/orca.txt Normal file
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@ -0,0 +1 @@
orca

1
internal/tagger/apps/python.txt
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@ -1,3 +1,4 @@
python
pip
anaconda
conda

3
internal/tagger/apps/qe.txt Normal file
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@ -0,0 +1,3 @@
pw
neb
ph

10
internal/tagger/apps/turbomole.txt Normal file
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@ -0,0 +1,10 @@
dscf
grad
ridft
rdgrad
ricc2
statpt
aoforce
escf
egrad
odft

1
internal/tagger/apps/vasp.txt
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@ -1,2 +1 @@
VASP
vasp

2
internal/tagger/detectApp.go
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@ -111,7 +111,7 @@ func (t *AppTagger) Match(job *schema.Job) {
for _, a := range t.apps {
tag := a.tag
for _, s := range a.strings {
if strings.Contains(jobscript, s) {
if strings.Contains(strings.ToLower(jobscript), s) {
if !r.HasTag(id, t.tagType, tag) {
r.AddTagOrCreateDirect(id, t.tagType, tag)
break out