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Update CI rules for release-2021
2020-10-20
Paul Bauer
Update CI r
u
les fo
r
release
-
2021
commit
|
commitdiff
|
tree
2020-10-20
Paul Ba
u
er
GROMACS 2021 first b
e
ta release
commit
|
commitdiff
|
tree
2020-10-20
Paul Bauer
R
eve
r
t
"
GROMACS
2021 firs
t
beta relea
s
e"
commit
|
commitdiff
|
tree
2020-10-20
P
a
u
l Bauer
GRO
M
A
C
S 202
1
firs
t
b
e
t
a
release
commit
|
commitdiff
|
tree
2020-10-19
Pa
u
l Bauer
Add rele
a
se h
i
gh
l
ights
commit
|
commitdiff
|
tree
2020-10-19
Paul Bauer
R
e
vert "
A
dd
mupa
r
ser and CMake ha
n
d
ling
"
commit
|
commitdiff
|
tree
2020-10-18
Pa
u
l
B
au
e
r
E
nable MSVC and M
a
cOSX testing on
G
i
thub
commit
|
commitdiff
|
tree
2020-10-13
Paul Baue
r
Do not valid
a
t
e
build for exte
r
nal source management
commit
|
commitdiff
|
tree
2020-10-09
Pau
l
Bauer
Remove under
th
e
hoo
d
editing of
p
db files
commit
|
commitdiff
|
tree
2020-10-07
Paul Bauer
Fix
download location f
o
r
r
egress
i
ontests
commit
|
commitdiff
|
tree
2020-10-07
Paul Bauer
F
i
x
S
YCL compilat
i
on
commit
|
commitdiff
|
tree
2020-10-07
P
aul Bauer
M
e
rge branch 'origin/rel
e
ase-202
0
' into merge-rele
a
se
.
.
.
commit
|
commitdiff
|
tree
2020-10-06
Paul B
a
uer
Set p
r
oper deviceVendor with SY
C
L
commit
|
commitdiff
|
tree
2020-10-06
P
a
ul B
a
uer
Prepare f
o
r GROMA
C
S
2020
.
5
commit
|
commitdiff
|
tree
2020-10-06
Paul
B
auer
GRO
M
ACS version
2
020
.
4
commit
|
commitdiff
|
tree
2020-10-05
Paul Bauer
A
l
ways
s
et DeviceVen
d
or
commit
|
commitdiff
|
tree
2020-10-05
Pau
l
Bauer
Fix debu
g
m
e
ss
a
g
e
l
o
c
a
tion
commit
|
commitdiff
|
tree
2020-10-05
Paul Bauer
A
d
d muparser and C
M
ake
h
andlin
g
commit
|
commitdiff
|
tree
2020-10-05
P
aul Bauer
F
ix dox
y
g
e
n wa
r
nin
g
s
commit
|
commitdiff
|
tree
2020-10-02
P
aul Bauer
Wor
k
-
around for RDRAND re
t
ur
n
i
n
g
-1 on Ryzen
commit
|
commitdiff
|
tree
2020-10-02
Paul Bauer
Re
m
ove anonymous name
s
pace
i
n AR
M
SVE header
commit
|
commitdiff
|
tree
2020-10-01
P
a
ul
Bauer
B
r
eak u
p
MP
I
tests
commit
|
commitdiff
|
tree
2020-10-01
P
aul
Bauer
Fix p
o
s
t
merge ac
c
eptanc
e
pipeline
f
or rele
a
s
e
-2020
commit
|
commitdiff
|
tree
2020-09-30
Paul
B
auer
Update
C
I on 2020 bran
c
h
commit
|
commitdiff
|
tree
2020-09-30
P
a
ul Bauer
Revert
"Add
new GROMACS
l
o
go and use it
i
n the manual
.
"
commit
|
commitdiff
|
tree
2020-09-30
Pau
l
Ba
u
e
r
Add new GROMACS lo
g
o a
n
d
use it in the manual
.
commit
|
commitdiff
|
tree
2020-09-29
Paul Bau
e
r
Fix doxygen warning
s
commit
|
commitdiff
|
tree
2020-09-29
P
a
ul Bauer
Add post submit rules to CI
commit
|
commitdiff
|
tree
2020-09-28
Paul B
a
uer
Change downloa
d
fo
r
regr
e
ssiontest awa
y
from g
e
rrit
commit
|
commitdiff
|
tree
2020-09-25
Paul
B
a
uer
Fix bad logic
i
n regressiontest branch selec
t
ion
commit
|
commitdiff
|
tree
2020-09-24
Pau
l
Bauer
Allow deploy
m
ent of nightly webpage to server
commit
|
commitdiff
|
tree
2020-09-22
Paul Bauer
M
ake
O
neapi use CCach
e
ag
a
in
commit
|
commitdiff
|
tree
2020-09-21
Paul
Bau
e
r
Fix script building all CI containe
r
s
and
a
dd gcovr
commit
|
commitdiff
|
tree
2020-09-21
Paul Bauer
Add O
p
enSSH to do
c
s b
u
i
ld ima
g
es
commit
|
commitdiff
|
tree
2020-09-16
Paul B
a
uer
Br
e
ak off
s
ome te
s
ts
fr
o
m mdrun tests
commit
|
commitdiff
|
tree
2020-09-15
P
aul Bauer
Break
o
ff som
e
tests from m
d
run tests
commit
|
commitdiff
|
tree
2020-09-15
Paul Bauer
Fix missing installed fil
e
s
f
o
r Open
C
L PME
commit
|
commitdiff
|
tree
2020-09-15
Paul Baue
r
Fix missing in
c
l
u
de
f
o
r
MSVC build
commit
|
commitdiff
|
tree
2020-09-11
Paul Bauer
Remove l
e
ftover da
t
a after re
f
actoring
commit
|
commitdiff
|
tree
2020-09-11
Paul
Bau
e
r
Fix doxygen for
unused parameters
.
commit
|
commitdiff
|
tree
2020-09-11
Paul Bauer
Fo
r
c
e
u
s
e
of P
y
thon
3
in Doxygen CMakeFiles
commit
|
commitdiff
|
tree
2020-09-10
Paul
B
auer
M
in
o
r fix to the printout for regtest
build
s
commit
|
commitdiff
|
tree
2020-09-08
Paul Bau
e
r
Move den
s
ity
f
itting to
its own directory
commit
|
commitdiff
|
tree
2020-09-07
Pau
l
Bauer
Fix output string
f
or G
P
U
s
upport
commit
|
commitdiff
|
tree
2020-08-31
Paul Bauer
Merg
e
branch 'rele
a
se-
2
020' int
o
master
commit
|
commitdiff
|
tree
2020-08-17
P
aul Bauer
Fix clang
-
format
commit
|
commitdiff
|
tree
2020-08-17
Paul Ba
u
er
R
e
duce
artifact size
commit
|
commitdiff
|
tree
2020-07-27
Paul B
a
ue
r
Re
v
e
rt "Change
b
uilds that use faili
n
g docker containers"
commit
|
commitdiff
|
tree
2020-07-09
Pau
l
Bauer
P
r
epar
e
for
GROMACS 2020
.
4
commit
|
commitdiff
|
tree
2020-07-09
Pa
u
l Bauer
GROMACS
v
e
r
sio
n
2
020
.
3
commit
|
commitdiff
|
tree
2020-07-07
Paul Bauer
Move
d
e
nsityfitting
t
o it
s
own
d
ire
c
t
o
r
y
commit
|
commitdiff
|
tree
2020-07-01
Paul Ba
u
er
Revert "Make everythi
n
g run on Gitlab infrastr
u
c
ture
.
"
commit
|
commitdiff
|
tree
2020-07-01
Pau
l
Bauer
Chang
e
builds that use fail
i
ng docker
containers
commit
|
commitdiff
|
tree
2020-07-01
Paul Baue
r
Di
s
able failing b
u
ilds for m
a
ster branch
commit
|
commitdiff
|
tree
2020-06-29
Paul Bauer
Make every
t
hi
n
g
run on Gitlab in
f
rastructure
.
commit
|
commitdiff
|
tree
2020-06-26
Paul Bauer
Make
D
SSP default path configu
r
able
commit
|
commitdiff
|
tree
2020-06-26
Paul Bauer
M
inor cleanu
p
in gmx
b
ar
commit
|
commitdiff
|
tree
2020-06-24
Paul Bau
e
r
Fix warni
n
g about nee
d
ing config
.
h
commit
|
commitdiff
|
tree
2020-06-18
Pau
l
Bauer
Fix
missing #inc
l
ud
e
<string>
commit
|
commitdiff
|
tree
2020-06-12
Paul Bau
e
r
Fix false initia
l
izat
i
on values in gmx hbo
n
d
commit
|
commitdiff
|
tree
2020-06-11
Paul Bauer
Fix fals
e
initiali
z
ation va
l
ues in gmx
hbond
commit
|
commitdiff
|
tree
2020-06-10
P
a
ul Bauer
Proper
fix for gmx do_dssp
commit
|
commitdiff
|
tree
2020-06-09
Paul B
a
uer
Extract
C
OM
handlin
g
from trjconv
commit
|
commitdiff
|
tree
2020-06-05
P
a
u
l Bauer
Fix segmentation fault when rea
d
ing energy te
r
ms
commit
|
commitdiff
|
tree
2020-06-05
P
a
ul Baue
r
U
s
e
moltype
d
i
rectly
f
o
r
obtaining residue
A
tomRanges
commit
|
commitdiff
|
tree
2020-06-05
Paul
B
auer
Fix
f
a
i
li
n
g webpage buil
d
commit
|
commitdiff
|
tree
2020-06-04
Paul Bauer
Add
ability to chose reg
r
essiontest commit and
b
ra
n
c
h
commit
|
commitdiff
|
tree
2020-06-02
Pa
u
l
Bauer
A
dd funct
i
on
to get resid
u
e
start a
n
d
end
commit
|
commitdiff
|
tree
2020-05-29
P
a
ul Ba
u
er
Add test
f
o
r
I
n
tera
c
tionList
commit
|
commitdiff
|
tree
2020-05-29
P
a
ul Bauer
Correct regular expression for clang-tidy
.
sh
commit
|
commitdiff
|
tree
2020-05-25
Paul
Ba
u
e
r
Fix a
w
k error in cl
a
ng-tidy script
commit
|
commitdiff
|
tree
2020-05-25
Paul Bauer
Fix clang-tidy w
a
rnings
commit
|
commitdiff
|
tree
2020-05-24
Paul B
a
uer
A
d
d
c
onversion fro
m
n
ew to legacy
symta
b
commit
|
commitdiff
|
tree
2020-05-24
Paul Bauer
Avoid
p
arsing of f
a
talerr
o
r
.
cpp as
lint failure
commit
|
commitdiff
|
tree
2020-05-23
Paul Bauer
Mod
e
rnize convert-tpr
commit
|
commitdiff
|
tree
2020-05-23
Paul Bauer
Add t
e
sts for t
o
ol help o
u
tput
writing
commit
|
commitdiff
|
tree
2020-05-22
Paul Ba
u
e
r
Avoid parsing of f
a
taler
r
or
.
cpp as lint failure
commit
|
commitdiff
|
tree
2020-05-20
Pa
u
l Bauer
Fix compile erro
r
s
commit
|
commitdiff
|
tree
2020-05-19
Paul Bauer
Re
m
ove
unnece
s
sary includes of arrayref
.
h
commit
|
commitdiff
|
tree
2020-05-14
P
au
l
B
a
uer
A
v
oid CI errors
f
rom overloading resou
r
ces
commit
|
commitdiff
|
tree
2020-05-13
Pau
l
B
a
uer
Fix check source error parsing
commit
|
commitdiff
|
tree
2020-05-12
Paul B
a
u
er
Fix archive bui
l
d
commit
|
commitdiff
|
tree
2020-05-06
Pa
u
l
Bauer
Merge branch
'origin/release-2020' into master
commit
|
commitdiff
|
tree
2020-05-05
Paul B
a
u
er
Fix
copyright
commit
|
commitdiff
|
tree
2020-05-04
Paul Bau
e
r
Fix cmake error:
Mixed styles
o
f t
a
r
g
et_link
_
libraries
.
.
.
commit
|
commitdiff
|
tree
2020-05-04
Paul Bauer
Use test conversion script from source
commit
|
commitdiff
|
tree
2020-05-04
Paul Baue
r
Fix
inc
o
rrect header and lin
t
er scripts
commit
|
commitdiff
|
tree
2020-05-01
Paul Bauer
Prepare for
2
020
.
3
commit
|
commitdiff
|
tree
2020-04-30
Paul
Bauer
GROMACS version
20
2
0
.
2
commit
|
commitdiff
|
tree
2020-04-30
Paul
B
auer
Print b
a
se commit for s
o
u
r
ce linter
s
commit
|
commitdiff
|
tree
2020-04-30
P
a
ul Bauer
F
i
x incorrect header and linter scripts
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
Di
s
allow combi
n
ation
of gcc > 9 and IBM_VSX
commit
|
commitdiff
|
tree
2020-04-29
P
aul Bau
e
r
Pri
n
t base commit for
so
u
rce
l
i
nters
commit
|
commitdiff
|
tree
2020-04-29
Paul Bauer
U
s
e
t
e
st conversion script from s
o
urce
commit
|
commitdiff
|
tree
2020-04-27
Paul Ba
u
er
Fix segmentation
f
ault in do_dssp
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Build pyt
h
on p
a
c
kage for document
a
t
i
on builds
commit
|
commitdiff
|
tree
2020-04-27
P
a
u
l Bauer
Fix warning
f
o
r
r
etu
r
n type
commit
|
commitdiff
|
tree
2020-04-27
P
a
ul
Bauer
Fix bug in source verification on Windows
commit
|
commitdiff
|
tree
2020-04-25
Paul Bau
e
r
F
i
x
c
op
y
rig
h
t
he
a
der
commit
|
commitdiff
|
tree
2020-04-25
Paul Bau
e
r
Use
b
ranch poi
n
t also for for
m
at and
c
o
p
yr
i
gh
t
chec
k
commit
|
commitdiff
|
tree
next