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SimulatorBuilder.add() for StopHandlerBuilder.
2020-06-26
M
.
E
ric Ir
r
gang
Simulat
o
r
Builde
r
.
add
(
) for Stop
H
a
ndlerBuilder
.
commit
|
commitdiff
|
tree
2020-06-26
M
.
Eric I
r
rgan
g
Implement SimulatorBu
i
lder
.
build()
commit
|
commitdiff
|
tree
2020-06-22
M
.
Eric Irrg
a
ng
R
efor
m
at pairs
.
cpp
commit
|
commitdiff
|
tree
2020-06-22
M
.
Eric Irrga
n
g
Use Gromacs::g
m
x target to
hint gmxapi tests
.
commit
|
commitdiff
|
tree
2020-06-19
M
.
Eric Irrgang
Remove workarou
n
d for g
c
c bug 58265
.
commit
|
commitdiff
|
tree
2020-06-16
M
.
Eric Irrgang
I
m
prove pytest
o
utput
handling
.
commit
|
commitdiff
|
tree
2020-06-09
M
.
E
ric Irrgang
Compartmen
t
alize job
r
ul
e
s
.
commit
|
commitdiff
|
tree
2020-06-09
M
.
Eric I
r
rgan
g
Improve usage
of Py
t
h
o
n lo
g
ging module
.
commit
|
commitdiff
|
tree
2020-05-29
M
.
Eric Irrgang
Handle a
r
bitrary doxygen
ver
s
ions in Docker image bu
i
ld
.
.
.
commit
|
commitdiff
|
tree
2020-05-28
M
.
Er
i
c Irrgang
R
e
move unused (and
broken) image from D
o
ck
e
r image
.
.
.
commit
|
commitdiff
|
tree
2020-05-28
M
.
Eric Irrgang
D
o
cker image b
u
ilds: s
i
m
plify doxygen version
ha
n
dling
.
commit
|
commitdiff
|
tree
2020-05-28
M
.
Eric Irrg
a
ng
Dock
e
r
i
m
age
b
uilds: mov
e
do
x
ygen
h
andling to a separate
.
.
.
commit
|
commitdiff
|
tree
2020-05-26
M
.
Eric Irrgang
Ex
t
end MPI ensem
b
le testing for gmxapi
.
commit
|
commitdiff
|
tree
2020-05-26
M
.
E
ric Irrgang
Enable MPI e
n
semble
testing for gmxap
i
.
commit
|
commitdiff
|
tree
2020-05-26
M
.
E
r
ic
I
rrg
a
ng
N
o
rmalize gmxapi rela
t
ed re
l
ease-2
0
20 job logic
.
commit
|
commitdiff
|
tree
2020-05-20
M
.
Eric Irrg
a
ng
Make
s
u
re images
h
ave /u
s
r/bi
n
/
python
commit
|
commitdiff
|
tree
2020-05-14
M
.
Eric Irrgang
Update do
c
ker
i
mage build scripts for master branch
.
commit
|
commitdiff
|
tree
2020-05-14
M
.
Eric Irrgang
Make
s
ur
e
CI script c
a
n
cal
l
/bin/env py
t
hon
`
commit
|
commitdiff
|
tree
2020-05-14
M
.
Er
i
c Irrgang
M
i
n
o
r
c
lean
u
p to buildall
.
sh
commit
|
commitdiff
|
tree
2020-05-14
M
.
E
ric Irrgang
Allo
w
llvm opti
o
n
a
l
ready us
e
d
i
n bu
i
ldall
.
sh script
.
commit
|
commitdiff
|
tree
2020-05-14
M
.
Eric Irrgang
R
e
du
c
e
console lo
g
output from sample_restraint te
s
t
s
.
commit
|
commitdiff
|
tree
2020-05-12
M
.
E
r
ic Irrgang
Refine usage of *job
:
tags* parameter
.
commit
|
commitdiff
|
tree
2020-04-30
M
.
Eric Ir
r
g
a
n
g
U
pdate hea
d
er sorting
.
commit
|
commitdiff
|
tree
2020-04-30
M
.
E
ric Irrgan
g
Re
q
uire C+
+
17 stan
d
ard and S
T
L
features
.
commit
|
commitdiff
|
tree
2020-04-29
M
.
Eri
c
Irrga
n
g
A
pply mo
r
e g
r
anula
r
CTest tim
e
-out policy
.
commit
|
commitdiff
|
tree
2020-04-27
M
.
Eric Ir
r
gang
Reso
l
ve st
a
tic analyzer w
a
rn
i
ngs from google tests
.
commit
|
commitdiff
|
tree
2020-04-27
M
.
Eri
c
Irrga
n
g
A
v
oi
d
temporary strings
.
commit
|
commitdiff
|
tree
2020-04-25
M
.
Eric Irrgang
Note CUDA builds in job names
.
commit
|
commitdiff
|
tree
2020-04-24
M
.
E
r
ic Irrgang
Update bundled pybind
.
commit
|
commitdiff
|
tree
2020-04-24
M
.
Eric
I
rr
g
a
n
g
Only s
e
t GMX_
P
YTH
O
N_P
A
CKAGE=ON wh
e
re needed
.
commit
|
commitdiff
|
tree
2020-04-23
M
.
Eri
c
Irrgang
U
s
e
CMake 3
.
12+
f
acilities for detecting Pyth
o
n
.
commit
|
commitdiff
|
tree
2020-04-15
M
.
E
r
ic Irrgang
Change default CM
a
k
e ve
r
sion to
3
.
1
3
.
0 fo
r
CI images
.
commit
|
commitdiff
|
tree
2020-04-14
M
.
Eric Irrga
n
g
Require CM
a
k
e
>=3
.
13
.
commit
|
commitdiff
|
tree
2020-04-14
M
.
Eri
c
Irrgang
Fix
i
n
va
l
id
g
itlab-ci
.
y
m
l
commit
|
commitdiff
|
tree
2020-04-09
M
.
E
ric
I
rrgang
Allow useful
C
I to run in f
o
r
k
s
commit
|
commitdiff
|
tree
2020-04-08
M
.
Eric Irrgang
Expl
i
ci
t
ly set UTF
-
8 enco
d
in
g
f
o
r gmxapi CLI interac
t
ion
.
commit
|
commitdiff
|
tree
2020-04-07
M
.
Eric
I
rrgang
P
r
epar
e
Py
t
hon environments for GitLab C
I
pip
e
line
.
commit
|
commitdiff
|
tree
2020-04-03
M
.
Eric
I
rrgang
I
m
prove gmxap
i
P
ython packa
g
e d
e
pende
n
cy
r
esolution
.
commit
|
commitdiff
|
tree
2020-04-03
M
.
Eric Irr
g
ang
Prune
change-mana
g
ement
.
rst and updat
e
links
.
commit
|
commitdiff
|
tree
2020-04-02
M
.
Eri
c
Irrgang
Mo
d
er
n
ize
s
ome Python s
u
bp
r
o
c
ess
calls
.
commit
|
commitdiff
|
tree
2020-04-01
M
.
Eric Irrgang
Avoid accide
n
tally ini
t
i
alizing pyenv
in CI image
s
.
commit
|
commitdiff
|
tree
2020-03-31
M
.
Eric
I
rrga
n
g
Prepare Python environments for Gi
t
Lab C
I
pip
e
line
.
commit
|
commitdiff
|
tree
2020-03-31
M
.
Eric Irrg
a
ng
U
pda
t
e scripts for all
o
f the
r
e
q
u
ested pre-
c
o
m
mit
.
.
.
commit
|
commitdiff
|
tree
2020-03-30
M
.
Eric Irr
g
ang
Require Py
t
hon 3
.
6
.
commit
|
commitdiff
|
tree
2020-03-27
M
.
Eric Irrgang
Com
p
a
r
tmentalize hpccm b
u
ild stages
.
commit
|
commitdiff
|
tree
2020-03-27
M
.
Eric
I
rr
g
ang
B
e friendli
e
r w
.
r
.
t
.
linkcheck
e
r
.
commit
|
commitdiff
|
tree
2020-03-25
M
.
Eric Irrgang
Mock hpccm import
s
o infrastructure
docs build easil
y
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgang
E
xtract logic fo
r
when C
I
jobs e
x
ecute
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrga
n
g
Normal
i
ze some more job names
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric I
r
rgang
Simplify archive
.
gitlab-ci
.
yml
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Ir
r
gang
R
emove redund
a
nt jobs
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgang
F
ix
d
u
plicate vari
a
bles p
a
rame
t
er
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgang
Add requ
i
red
I
nfrastructure for Gi
t
l
ab
m
erg
e
s
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eri
c
Irrgang
Normalize nam
i
ng for g
r
o
macs bui
l
d/testing
j
obs
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric
Irrgang
Remove some unnecess
a
ry indirection i
n
job de
f
initions
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric
I
rrga
n
g
Conso
l
idate
.
use-clangX C
I
j
ob mix-in
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgan
g
Consolidate
.
use-
g
ccX CI job mix-in
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric Irr
g
ang
Adopt
C
I job naming guidelines
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
E
ric Ir
r
ga
n
g
Normalize GitLab-
C
I *cache* paramete
r
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric I
r
rgan
g
Merge environment
supp
o
r
t
into global
.
gi
t
lab-ci
.
yml
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric I
r
rgang
Move
.
build-templat
e
.
yml d
e
finitions clos
e
r
t
o
p
o
int
.
.
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eri
c
Irrgang
Me
r
ge *
-
test-templat
e
.
yml in
t
o
te
s
t
ing-matrix
.
gi
t
l
a
b
.
.
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric Irrg
a
ng
Merge
.
test-run
n
er-template
.
y
ml into testing-matrix
.
.
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric Irrgang
Mer
g
e
.
t
est-scrip
t
-tem
p
lat
e
.
yml int
o
testing-m
a
tr
i
x
.
.
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
E
r
ic
Irrgang
Merg
e
.
regr
e
s
s
iontest-te
m
plate
.
ym
l
into archive config
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric
Irrga
n
g
Consolida
t
e document
a
tion templates
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric Irr
g
ang
Reo
r
ganize release templates
.
commit
|
commitdiff
|
tree
2020-03-19
M
.
Eric I
r
r
gang
Remove confusi
n
g and duplicated variab
l
e
s assign
m
ent
.
commit
|
commitdiff
|
tree
2020-03-19
M
.
Eric I
r
rgang
Consolidat
e
glo
b
al mix-ins
.
commit
|
commitdiff
|
tree
2020-03-19
M
.
Eric Ir
r
gang
[ci skip] Remo
v
e indirectio
n
fo
r
default ta
g
s pa
r
ameter
.
commit
|
commitdiff
|
tree
2020-03-19
M
.
Eric
I
rrgang
[ci
s
kip] Reorganize
.
g
i
tlab-ci
.
yml
commit
|
commitdiff
|
tree
2020-03-18
M
.
Eric
Irrgang
Document CI variable
and remove unused template
.
commit
|
commitdiff
|
tree
2020-03-18
M
.
Eric
I
r
rgang
Disable sp
h
in
x
.
ext
.
viewcode
commit
|
commitdiff
|
tree
2020-03-18
M
.
Eric Irr
g
ang
A
d
d
s
tu
b
Varia
b
les docume
n
tation to Git
L
ab
CI doc
.
commit
|
commitdiff
|
tree
2020-03-17
M
.
Eric Irr
g
ang
Remove dupli
c
ated
YAML key
.
commit
|
commitdiff
|
tree
2020-03-16
M
.
Er
i
c Irrgang
Add document for
containerization in
f
ra
s
tru
c
tur
e
.
commit
|
commitdiff
|
tree
2020-03-16
M
.
Eric I
r
rgang
Alphabeti
z
e
l
ist for re
a
dab
i
l
i
ty
.
commit
|
commitdiff
|
tree
2020-03-16
M
.
Er
i
c Irrgang
Ref
o
r
m
a
t
ar
g
uments for readabil
i
ty
.
commit
|
commitdiff
|
tree
2020-03-16
M
.
Eric Irr
g
a
ng
Define an argparse
parent par
s
er for contain
e
r ima
g
e
.
.
.
commit
|
commitdiff
|
tree
2020-03-16
M
.
Eric Irrg
a
ng
Build MPI in Do
c
kerfile
.
commit
|
commitdiff
|
tree
2020-03-15
M
.
Eric Irr
g
a
n
g
Me
r
ge conf
.
py and conf-vars
.
py
.
commit
|
commitdiff
|
tree
2020-03-10
M
.
E
r
ic Irrg
a
ng
Di
s
tinguish Docker
im
a
g
e
s for
d
iffe
r
ent
r
e
l
e
ase requi
r
ements
.
commit
|
commitdiff
|
tree
2020-03-09
M
.
Er
i
c I
r
rgang
Free up
D
ocker image
tag namesp
a
ce
.
commit
|
commitdiff
|
tree
2020-03-09
M
.
Eric Irrgang
R
emove d
u
plicated GitL
a
b-
C
I
j
obs
.
commit
|
commitdiff
|
tree
2020-03-09
M
.
Eric Irrgang
Reform
a
t
.
g
i
tlab-ci
.
yml
commit
|
commitdiff
|
tree
2020-03-09
M
.
Eric Irrgang
Consolidate logic fo
r
w
h
ethe
r
to use Mod
u
larSi
m
ulat
o
r
.
commit
|
commitdiff
|
tree
2020-03-07
M
.
Eric Irrgan
g
M
a
nage the list
o
f imag
e
tags in Do
c
ke
r
b
u
i
ld script
.
commit
|
commitdiff
|
tree
2020-03-07
M
.
Eric Ir
r
gang
Manage
t
h
e l
i
st of image tags in Do
c
ker build script
.
commit
|
commitdiff
|
tree
2020-02-27
M
.
Eri
c
I
r
rgang
Resolve a Python linting error
.
commit
|
commitdiff
|
tree
2020-02-27
M
.
Eric I
r
rgang
Fix b
r
oken
Python error che
c
k
.
commit
|
commitdiff
|
tree
2020-02-25
M
.
Eric Irrgang
Remove cruft and resolve depr
e
c
ation warnings
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
Eric Irrgang
F
i
x
do
c
st
r
ing bugs
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
Eric Irr
g
a
ng
Fix sphinx-build opt
i
on typo
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
Eri
c
Irrgang
Let
comm
a
n
d
l
ine_op
e
ration acce
p
t std
i
n
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
Eric Irrg
a
ng
Make gmxapi
.
versio
n
.
has
_
feature warning mo
r
e useful
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
Er
i
c
Irrga
n
g
Use su
b
process
.
run instead of subprocess
.
ch
e
ck
commit
|
commitdiff
|
tree
2020-02-24
M
.
Er
i
c Irrgang
Improve gmx
a
p
i
.
operation
e
rror h
a
ndling
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
Eric
Irrg
a
ng
Cl
a
rify annotation about GitLab CI D
o
cker i
m
ages
.
commit
|
commitdiff
|
tree
2020-02-21
M
.
Eric Irr
g
ang
S
i
mplify GitLab
CI Dockerfiles
.
commit
|
commitdiff
|
tree
2020-02-17
M
.
Eri
c
Irrgang
Establish stubs f
o
r documenti
n
g GitLab
configuration
.
commit
|
commitdiff
|
tree
next