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Be friendlier w.r.t. linkchecker.
2020-03-27
M
.
E
ric Irrgang
Be frie
n
dli
e
r w
.
r
.
t
.
li
n
kchecker
.
commit
|
commitdiff
|
tree
2020-03-25
M
.
E
r
ic Ir
r
gang
Mock hpccm import so infrastructure
do
c
s bu
i
ld easily
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Ir
r
g
ang
Extract logic for wh
e
n
C
I
jobs
e
x
ecute
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgan
g
Normalize some more job name
s
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgang
Simplify a
r
chive
.
gitlab-ci
.
y
m
l
commit
|
commitdiff
|
tree
2020-03-23
M
.
E
ric Irrgang
Remove r
e
dund
a
nt
j
obs
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgang
F
i
x du
p
licate variab
l
es param
e
te
r
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Er
i
c Ir
r
ga
n
g
A
dd req
u
ired
I
nfrastruct
u
re for Git
l
ab
merges
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgang
Normalize namin
g
for gromacs build/t
e
sting jobs
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric Irrgang
Re
m
ove
some unnecess
a
ry indirecti
o
n
i
n job
defi
n
itions
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Eric I
r
rg
a
ng
Co
n
solid
a
te
.
use-cla
n
gX CI
j
ob
m
i
x-in
.
commit
|
commitdiff
|
tree
2020-03-23
M
.
Er
i
c Irrgang
Consolidate
.
use-gccX CI
j
ob mix-in
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric I
r
rgang
Adopt
C
I job
n
a
m
i
ng guidelines
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric I
r
rgang
Normalize Git
L
ab-CI *cac
h
e* param
e
ter
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
E
r
ic
I
rrgang
Merge en
v
ironm
e
nt s
u
pport i
n
to global
.
gitla
b
-ci
.
yml
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric Irrgang
Move
.
build-template
.
y
m
l definitions
c
l
oser to
point
.
.
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric Irrgang
Mer
g
e *-test-templa
t
e
.
yml into testing-matrix
.
gitlab
.
.
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric Irrgang
Merge
.
te
s
t-runner-templa
t
e
.
yml
into testing-matrix
.
.
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Er
i
c
Irrga
n
g
Merge
.
test-script-temp
l
ate
.
yml
i
nto testin
g
-matrix
.
.
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric Ir
r
gang
Merge
.
regressi
o
ntest-template
.
y
m
l into ar
c
h
i
ve config
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eri
c
Irrgang
Conso
l
idate
d
o
cument
a
tion t
e
mplates
.
commit
|
commitdiff
|
tree
2020-03-22
M
.
Eric Irrgang
R
eo
r
ganize release templates
.
commit
|
commitdiff
|
tree
2020-03-19
M
.
Eric
Irr
g
ang
R
e
mo
v
e
c
o
nfusing and duplicated variab
l
es a
s
signment
.
commit
|
commitdiff
|
tree
2020-03-19
M
.
Eric Irrgan
g
Cons
o
lidate
g
lo
b
al mix-ins
.
commit
|
commitdiff
|
tree
2020-03-19
M
.
Er
i
c
Irrgang
[ci skip] Remove ind
i
rect
i
on
f
or defa
u
lt ta
g
s
pa
r
ameter
.
commit
|
commitdiff
|
tree
2020-03-19
M
.
Er
i
c
I
rrgang
[
c
i skip]
R
eorganize
.
gitlab-ci
.
yml
commit
|
commitdiff
|
tree
2020-03-18
M
.
Eric Ir
r
gang
Docume
n
t CI variable and remove
unus
e
d template
.
commit
|
commitdiff
|
tree
2020-03-18
M
.
Eric I
r
r
gang
Disable sphin
x
.
ext
.
viewco
d
e
commit
|
commitdiff
|
tree
2020-03-18
M
.
Eric I
r
rgang
A
dd stub
V
ariab
l
es docum
e
ntation to GitLab CI doc
.
commit
|
commitdiff
|
tree
2020-03-17
M
.
E
ric I
r
rgang
Remove dupli
c
ated YAML key
.
commit
|
commitdiff
|
tree
2020-03-16
M
.
Eric Ir
r
g
a
ng
Add document f
o
r containerizat
i
on inf
r
astructure
.
commit
|
commitdiff
|
tree
2020-03-16
M
.
Eric I
r
rg
a
ng
A
l
phabetize list for re
a
dabili
t
y
.
commit
|
commitdiff
|
tree
2020-03-16
M
.
Eri
c
Irrgang
Reformat argum
e
nts for readab
i
lity
.
commit
|
commitdiff
|
tree
2020-03-16
M
.
Eric Irrgan
g
De
f
in
e
an argparse pa
r
ent
p
a
r
s
er for container i
m
age
.
.
.
commit
|
commitdiff
|
tree
2020-03-16
M
.
Eric Irrgang
Build MPI in Dockerfil
e
.
commit
|
commitdiff
|
tree
2020-03-15
M
.
Eric Irrgang
Merge co
n
f
.
py and
c
onf
-
v
ars
.
py
.
commit
|
commitdiff
|
tree
2020-03-09
M
.
Eri
c
I
r
r
g
a
n
g
Free up Docker i
m
age
t
ag namespace
.
commit
|
commitdiff
|
tree
2020-03-09
M
.
Eric Irrgang
Remove dupli
c
a
t
ed GitLab-CI jobs
.
commit
|
commitdiff
|
tree
2020-03-09
M
.
Eric Irrgang
Re
f
ormat
.
gitlab-ci
.
yml
commit
|
commitdiff
|
tree
2020-03-09
M
.
Eri
c
Irr
g
a
n
g
Consolidate logi
c
for wheth
e
r
t
o
use
M
o
du
l
arSim
u
la
t
or
.
commit
|
commitdiff
|
tree
2020-03-07
M
.
Eric
I
rrgang
M
a
na
g
e the list of image tags in Do
c
k
er
b
uild script
.
commit
|
commitdiff
|
tree
2020-02-27
M
.
Eric
I
rrga
n
g
Resolve
a
P
y
thon linting
e
r
r
or
.
commit
|
commitdiff
|
tree
2020-02-27
M
.
E
ric Irrgang
Fix
brok
e
n Python error ch
e
ck
.
commit
|
commitdiff
|
tree
2020-02-25
M
.
E
ric Irrgang
Re
m
ove cruft and resolve deprec
a
tion warning
s
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
Er
i
c Irrgang
Fix docstring b
u
g
s
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
Eric Irrgang
Fix s
p
hinx-bu
i
ld
o
p
tion t
y
p
o
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
E
r
ic Irrgang
L
et
commandline_operation acc
e
pt stdin
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
Eric I
r
rg
a
ng
Make
g
mxapi
.
version
.
has_feature warning more
u
seful
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
Eric Irrgang
Use subproc
e
ss
.
r
un ins
t
ead
o
f
s
ubproce
s
s
.
c
h
eck
commit
|
commitdiff
|
tree
2020-02-24
M
.
Eric I
r
r
gang
Improve gmxapi
.
opera
t
ion e
r
ror ha
n
d
ling
.
commit
|
commitdiff
|
tree
2020-02-24
M
.
Eric Ir
r
gang
Cl
a
rif
y
annotat
i
on ab
o
u
t
GitLab C
I
D
o
ck
e
r images
.
commit
|
commitdiff
|
tree
2020-02-21
M
.
Eri
c
Irrgan
g
S
i
mplify GitLab CI Dockerfiles
.
commit
|
commitdiff
|
tree
2020-02-17
M
.
Eric Irrg
a
ng
Est
a
blish
s
tubs for documenti
n
g GitLab configuration
.
commit
|
commitdiff
|
tree
2020-02-15
M
.
Eric Irrgang
R
eformat
.
gitl
a
b-c
i
.
yml
commit
|
commitdiff
|
tree
2020-01-09
M
.
Eric
Irrgang
Use e
n
um f
o
r
gmxapi
.
testsup
p
ort fix
t
ur
e
opti
o
ns
.
commit
|
commitdiff
|
tree
2020-01-09
M
.
Er
i
c
Irr
g
a
n
g
Fur
t
h
e
r consolidate gmxapi
.
t
e
stsupp
o
rt
.
commit
|
commitdiff
|
tree
2020-01-09
M
.
E
ric Irrgang
Up
d
a
te gmxapi Python pa
c
kage version
a
nd
v
ersionin
g
.
.
.
commit
|
commitdiff
|
tree
2020-01-07
M
.
E
ri
c
Irrgang
R
e
mov
e
stra
y
"to do"
.
commit
|
commitdiff
|
tree
2020-01-03
M
.
Eric Irrgang
R
e
move transit
i
on
a
l links for onlin
e
gmxapi Python
.
.
.
commit
|
commitdiff
|
tree
2020-01-02
M
.
Eric Irrgang
Add Fl
a
ke8 lintin
g
to
g
mxapi tests
.
commit
|
commitdiff
|
tree
2020-01-02
M
.
Eric Irr
g
ang
Use `
t
odo
`
Sphinx direct
i
v
e m
o
re
.
commit
|
commitdiff
|
tree
2019-12-30
M
.
Eric Irrgang
Ad
d
tracking for a
documente
d
a
ct
i
on item
.
commit
|
commitdiff
|
tree
2019-12-30
M
.
E
r
ic Ir
r
gang
L
ink
some "to do"s in the dev manual
.
commit
|
commitdiff
|
tree
2019-12-30
M
.
Eric Irrga
n
g
M
a
ke g
m
xapi
.
testsupport usable as a pytest
p
lugin
.
commit
|
commitdiff
|
tree
2019-12-28
M
.
Eric Irrgan
g
Reso
l
ve C
M
ake ambiguities for
gmxapi P
y
th
o
n
p
ackag
e
.
.
.
commit
|
commitdiff
|
tree
2019-12-27
M
.
Er
i
c Ir
r
gang
Update intersp
h
i
n
x con
f
iguration
.
commit
|
commitdiff
|
tree
2019-12-26
M
.
E
r
ic I
r
rg
a
ng
Let
G
MX_DEVELOPE
R
_BUIL
D
trig
g
er a "to do
"
list in the
.
.
.
commit
|
commitdiff
|
tree
2019-12-26
M
.
Er
i
c
I
rrga
n
g
Set Sphinx def
a
ult role
.
commit
|
commitdiff
|
tree
2019-12-26
M
.
Eric
I
rrgang
F
i
x external
w
eb link
.
commit
|
commitdiff
|
tree
2019-12-26
M
.
Eric Irrgang
E
n
able Sphi
n
x tod
o
di
r
ective for GMX_DEVELOPER_BUILD
.
commit
|
commitdiff
|
tree
2019-12-26
M
.
Eric Irrgang
Clean up Sphinx int
e
rpr
e
ted text i
n
the default role
.
commit
|
commitdiff
|
tree
2019-12-19
M
.
Eric Irrgang
Add iss
u
e tracking fo
r
deprecations
.
commit
|
commitdiff
|
tree
2019-12-18
M
.
Eric
Irrgang
U
pdate reference to uncrustify a
n
d clan
g
-format
.
commit
|
commitdiff
|
tree
2019-12-17
M
.
Eric Irrg
a
ng
Be more specific with clang-forma
t
suggestions
.
commit
|
commitdiff
|
tree
2019-12-11
M
.
Eric Irrgang
gmxapi land
i
ng page update
.
commit
|
commitdiff
|
tree
2019-12-11
M
.
Eric I
r
rgang
gmx
a
pi documentation readability improvem
e
nts
.
commit
|
commitdiff
|
tree
2019-12-11
M
.
Eric Irrgang
g
m
xapi documenta
t
ion formatting imp
r
ovements
.
commit
|
commitdiff
|
tree
2019-12-07
M
.
E
r
ic Irr
g
ang
F
i
n
alize gmxapi 0
.
1
commit
|
commitdiff
|
tree
2019-12-06
M
.
E
r
i
c
Irrgang
Add notes o
n
MPI with gmxapi Python package
.
commit
|
commitdiff
|
tree
2019-12-06
M
.
Eric
I
rrgan
g
gmxapi Python pa
c
kage us
a
ge prose
.
commit
|
commitdiff
|
tree
2019-12-06
M
.
Eric Irrgang
Improve pyte
s
t
f
i
x
t
ures fo
r
directory m
a
nagement
.
commit
|
commitdiff
|
tree
2019-11-27
M
.
Eric Irrgang
A
d
d gmx
a
pi_extension tests to 'te
s
ts' target
.
commit
|
commitdiff
|
tree
2019-11-20
M
.
Eric Irrgang
Remove st
u
b cont
e
nt
from gmx
a
pi docs
.
commit
|
commitdiff
|
tree
2019-11-17
M
.
Eric Irrgang
R
e
move extraneous file
.
commit
|
commitdiff
|
tree
2019-11-17
M
.
Eric I
r
rgang
Add transition
a
l
l
inks for online gmxa
p
i
Python package
.
.
.
commit
|
commitdiff
|
tree
2019-11-17
M
.
Eric Irrga
n
g
Impr
o
ve
g
mxapi
Dockerfiles
.
commit
|
commitdiff
|
tree
2019-11-11
M
.
E
r
ic Irrg
a
ng
Achieve
gmxapi fr15
.
commit
|
commitdiff
|
tree
2019-11-11
M
.
Eric Irrgang
U
pdate
s
to
g
mxapi
F
R15 accep
t
ance test
.
commit
|
commitdiff
|
tree
2019-11-11
M
.
Eric Irrg
a
ng
U
pdate notes and tests regarding gmxapi acceptanc
e
.
.
.
commit
|
commitdiff
|
tree
2019-11-11
M
.
Eric Irrgang
Achiev
e
g
mxapi fr1
5
.
commit
|
commitdiff
|
tree
2019-11-11
M
.
Eric Irrgang
Updates to gmxapi FR15 acc
e
ptance test
.
commit
|
commitdiff
|
tree
2019-11-11
M
.
E
ric Irr
g
a
n
g
U
p
dat
e
no
t
es and te
s
t
s
regarding gmxapi acce
p
tance
.
.
.
commit
|
commitdiff
|
tree
2019-11-08
M
.
Eric Irr
g
ang
Fix bug introduced by clang-format
reformat
.
commit
|
commitdiff
|
tree
2019-11-08
M
.
Eric Irrgang
Fix bug introduced by clang
-
format reformat
.
commit
|
commitdiff
|
tree
2019-11-05
M
.
Eric Ir
r
gang
Update googletest location in COPYING
.
commit
|
commitdiff
|
tree
2019-11-04
M
.
Eric Irr
g
ang
Update
g
m
xapi P
y
t
hon doc
u
mentation instructions
.
commit
|
commitdiff
|
tree
2019-11-03
M
.
Eric Irr
g
ang
Update Sph
i
nx link
.
commit
|
commitdiff
|
tree
2019-11-03
M
.
Eric Irrgan
g
Fix typos
.
commit
|
commitdiff
|
tree
2019-11-01
M
.
Eric Irrga
n
g
Fix documentation
t
ypo
.
commit
|
commitdiff
|
tree
2019-11-01
M
.
Eric Irrgang
N
ormalize sample_restraint
t
a
rget
n
ames
.
commit
|
commitdiff
|
tree
next