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Update CI rules for release-2021
2020-10-20
Pa
u
l Bauer
Up
d
at
e
CI rules for release-2021
commit
|
commitdiff
|
tree
2020-10-20
Pau
l
Ba
u
e
r
GRO
M
A
CS 2021 first beta rele
a
se
commit
|
commitdiff
|
tree
2020-10-20
P
a
u
l B
a
ue
r
R
ever
t
"G
R
O
M
A
C
S
202
1
f
i
rs
t
b
eta release"
commit
|
commitdiff
|
tree
2020-10-20
P
a
ul Bau
e
r
GROMACS
2021 firs
t
b
eta r
e
l
e
ase
commit
|
commitdiff
|
tree
2020-10-19
Pau
l
Bauer
Add release highlights
commit
|
commitdiff
|
tree
2020-10-19
P
a
ul
Bauer
Rev
e
rt "Add
m
u
pa
r
ser and CMake handli
n
g"
commit
|
commitdiff
|
tree
2020-10-18
Paul Bauer
E
na
b
l
e
M
SVC an
d
M
ac
O
SX test
i
ng on Github
commit
|
commitdiff
|
tree
2020-10-13
Paul
Bauer
Do not validat
e
build fo
r
ext
e
rnal s
o
u
rce manag
e
me
n
t
commit
|
commitdiff
|
tree
2020-10-09
Paul Ba
u
e
r
R
e
move under
t
he hood editing of pdb fi
l
es
commit
|
commitdiff
|
tree
2020-10-07
Paul Bauer
Fix down
l
oad l
o
cation
for regressiontests
commit
|
commitdiff
|
tree
2020-10-07
Paul Bauer
Fix S
Y
CL compil
a
tion
commit
|
commitdiff
|
tree
2020-10-07
Paul Ba
u
e
r
Merge bra
n
c
h
'ori
g
i
n/releas
e
-2020' into merge-re
l
eas
e
.
.
.
commit
|
commitdiff
|
tree
2020-10-06
P
a
u
l
Bauer
Set proper de
v
ic
e
Vendor w
i
th SYCL
commit
|
commitdiff
|
tree
2020-10-06
Paul Bauer
Prepare for GROMACS
202
0
.
5
commit
|
commitdiff
|
tree
2020-10-06
Paul Bauer
GR
O
M
ACS
v
ersion 2020
.
4
commit
|
commitdiff
|
tree
2020-10-05
P
a
ul Bauer
Alw
a
ys set Devic
e
V
endo
r
commit
|
commitdiff
|
tree
2020-10-05
P
a
ul Bauer
F
i
x
debug message location
commit
|
commitdiff
|
tree
2020-10-05
Paul Ba
u
er
Add muparser and CMake handling
commit
|
commitdiff
|
tree
2020-10-05
Pa
u
l Bauer
F
ix doxygen warnings
commit
|
commitdiff
|
tree
2020-10-02
Paul Bauer
Work
-
around for RDR
A
ND
r
e
turning -1 on R
y
zen
commit
|
commitdiff
|
tree
2020-10-02
Paul
Bau
e
r
Remove anonymou
s
n
amespac
e
i
n
ARM
S
VE
hea
d
er
commit
|
commitdiff
|
tree
2020-10-01
P
aul Bauer
B
rea
k
up
M
P
I tests
commit
|
commitdiff
|
tree
2020-10-01
Paul Ba
u
er
F
ix post mer
g
e acceptance pipeline fo
r
r
elease
-
2020
commit
|
commitdiff
|
tree
2020-09-30
Paul Ba
u
er
Up
d
ate CI on
2
020 branc
h
commit
|
commitdiff
|
tree
2020-09-30
Paul
B
auer
Rev
e
rt "Add new GROMA
C
S logo and use it in the manual
.
"
commit
|
commitdiff
|
tree
2020-09-30
Paul Bauer
Add new GROMA
C
S log
o
and use
it in the manual
.
commit
|
commitdiff
|
tree
2020-09-29
Paul Baue
r
Fix doxy
g
en warnin
g
s
commit
|
commitdiff
|
tree
2020-09-29
Pau
l
B
auer
A
d
d
post sub
m
it rules to
C
I
commit
|
commitdiff
|
tree
2020-09-28
Paul Ba
u
er
Chan
g
e down
l
o
a
d for regressiontest away from gerrit
commit
|
commitdiff
|
tree
2020-09-25
Pa
u
l Bauer
F
i
x b
a
d
logic in regressiontest bra
n
ch
select
i
on
commit
|
commitdiff
|
tree
2020-09-24
Paul Ba
u
e
r
Allow d
e
ploymen
t
of
n
i
ghtl
y
webpage to server
commit
|
commitdiff
|
tree
2020-09-22
Pau
l
B
auer
Mak
e
On
e
a
pi
u
se
C
Cache again
commit
|
commitdiff
|
tree
2020-09-21
Pa
u
l Bauer
Fix script bu
i
l
ding
al
l
CI containe
r
s and
a
d
d gcovr
commit
|
commitdiff
|
tree
2020-09-21
Pa
u
l Bauer
Add O
p
e
nSSH to
d
ocs build image
s
commit
|
commitdiff
|
tree
2020-09-16
Paul Bauer
B
r
eak off some
t
est
s
from m
d
run tests
commit
|
commitdiff
|
tree
2020-09-15
Paul Bauer
B
r
ea
k
off some tests
f
rom mdrun tests
commit
|
commitdiff
|
tree
2020-09-15
Pa
u
l Bauer
Fix missi
n
g installed files for OpenCL P
M
E
commit
|
commitdiff
|
tree
2020-09-15
Pau
l
Baue
r
Fix missing include for
M
SVC
build
commit
|
commitdiff
|
tree
2020-09-11
P
aul Bauer
Remove leftover d
a
t
a
aft
e
r re
f
actoring
commit
|
commitdiff
|
tree
2020-09-11
Paul Bauer
Fix d
o
xygen
f
or
un
u
sed parameters
.
commit
|
commitdiff
|
tree
2020-09-11
P
a
ul Ba
u
e
r
For
c
e u
s
e o
f
P
y
thon3 in Doxygen CMak
e
Files
commit
|
commitdiff
|
tree
2020-09-10
P
aul Bauer
Minor fix to t
h
e pri
n
tout fo
r
regtes
t
builds
commit
|
commitdiff
|
tree
2020-09-08
Paul Bauer
Move densityfitting to its own directory
commit
|
commitdiff
|
tree
2020-09-07
Paul
Bauer
F
ix outpu
t
string for
G
PU suppo
r
t
commit
|
commitdiff
|
tree
2020-08-31
P
aul Ba
u
er
Merge branch 'release-20
2
0'
i
nto master
commit
|
commitdiff
|
tree
2020-08-17
Paul
Ba
u
e
r
Fix clang
-
format
commit
|
commitdiff
|
tree
2020-08-17
Pa
u
l Bauer
Reduce artifa
c
t siz
e
commit
|
commitdiff
|
tree
2020-07-27
Paul Bauer
Revert "Change builds that use failing docker containe
r
s"
commit
|
commitdiff
|
tree
2020-07-09
P
a
u
l
Bauer
Pre
p
are for GROMA
C
S 2020
.
4
commit
|
commitdiff
|
tree
2020-07-09
Pau
l
Bauer
GROM
A
CS version 2020
.
3
commit
|
commitdiff
|
tree
2020-07-07
P
aul
B
auer
Move densityfitting to its own
directory
commit
|
commitdiff
|
tree
2020-07-01
P
a
ul
Bauer
Revert "Make every
t
hing run o
n
G
i
tlab
i
nfras
t
ru
c
ture
.
"
commit
|
commitdiff
|
tree
2020-07-01
Paul Bauer
Change builds that
use
failing docker containers
commit
|
commitdiff
|
tree
2020-07-01
Paul Bauer
Disable
failing bui
l
ds for mas
t
er branch
commit
|
commitdiff
|
tree
2020-06-29
P
a
ul Bauer
Make everythin
g
r
u
n on Gitlab infr
a
structure
.
commit
|
commitdiff
|
tree
2020-06-26
Paul Bauer
Make
D
SSP defau
l
t
p
a
th con
f
igur
a
b
le
commit
|
commitdiff
|
tree
2020-06-26
Paul Bauer
Minor cleanup in gmx bar
commit
|
commitdiff
|
tree
2020-06-24
Paul Bauer
Fix warning about
n
eeding co
n
fig
.
h
commit
|
commitdiff
|
tree
2020-06-18
Paul
Bauer
Fix mi
s
sing #in
c
lude
<s
t
ring>
commit
|
commitdiff
|
tree
2020-06-12
Pau
l
Bauer
Fix false i
n
it
i
alization valu
e
s
i
n gmx
h
bond
commit
|
commitdiff
|
tree
2020-06-11
Paul B
a
uer
F
i
x false initiali
z
a
t
ion values i
n
gmx hbond
commit
|
commitdiff
|
tree
2020-06-10
Paul Bauer
Proper fix f
o
r gmx do
_
dssp
commit
|
commitdiff
|
tree
2020-06-09
Paul Bauer
Extract COM
handling from tr
j
conv
commit
|
commitdiff
|
tree
2020-06-05
P
a
u
l Baue
r
Fix segmentation fault when
r
eading energy
t
erms
commit
|
commitdiff
|
tree
2020-06-05
Pa
u
l
Bauer
Use
m
olty
p
e direc
t
ly
for obtaining residu
e
At
o
m
Ranges
commit
|
commitdiff
|
tree
2020-06-05
Paul
Bauer
F
ix failing
webpage b
u
i
ld
commit
|
commitdiff
|
tree
2020-06-04
Paul Bau
e
r
Add
a
b
i
lity to
c
h
o
se regression
t
es
t
comm
i
t a
n
d br
a
n
ch
commit
|
commitdiff
|
tree
2020-06-02
Paul Ba
u
er
Add
function
t
o ge
t
resid
u
e
s
tart an
d
end
commit
|
commitdiff
|
tree
2020-05-29
Paul
B
a
uer
A
dd test for
I
nteracti
o
nList
commit
|
commitdiff
|
tree
2020-05-29
P
a
u
l Bauer
Corr
e
c
t
r
e
gular
e
xpression f
o
r cla
n
g-tidy
.
sh
commit
|
commitdiff
|
tree
2020-05-25
Paul Bauer
Fix awk error in clang-tidy
s
c
ript
commit
|
commitdiff
|
tree
2020-05-25
Paul Ba
u
er
Fix clang
-
ti
d
y warnings
commit
|
commitdiff
|
tree
2020-05-24
Paul Bauer
A
d
d conversion
f
rom
n
ew to legacy s
y
mtab
commit
|
commitdiff
|
tree
2020-05-24
Paul Baue
r
Av
o
i
d
parsing of fatalerror
.
cpp as lint failure
commit
|
commitdiff
|
tree
2020-05-23
Paul Bauer
Mode
r
nize convert-tpr
commit
|
commitdiff
|
tree
2020-05-23
Paul Bauer
Add t
e
sts f
o
r tool
h
e
lp
output writing
commit
|
commitdiff
|
tree
2020-05-22
P
a
ul Bau
e
r
Avo
i
d
parsing of
f
ataler
r
or
.
c
p
p as lint fai
l
ure
commit
|
commitdiff
|
tree
2020-05-20
Paul Bauer
F
i
x compile error
s
commit
|
commitdiff
|
tree
2020-05-19
Paul Bauer
Remove u
n
necessary
i
n
c
l
udes of arrayref
.
h
commit
|
commitdiff
|
tree
2020-05-14
Paul Bauer
Av
o
id
C
I error
s
from overloading res
o
urc
e
s
commit
|
commitdiff
|
tree
2020-05-13
Pa
u
l Ba
u
er
Fix check
so
u
rce err
o
r parsing
commit
|
commitdiff
|
tree
2020-05-12
Paul
B
auer
Fix archive build
commit
|
commitdiff
|
tree
2020-05-06
Paul Bauer
Merge branch 'or
i
g
i
n/rele
a
se-2020
'
in
t
o mas
t
er
commit
|
commitdiff
|
tree
2020-05-05
Paul Bauer
F
i
x
copyri
g
ht
commit
|
commitdiff
|
tree
2020-05-04
Paul Baue
r
Fix
c
m
ake erro
r
:
Mixed
styles of ta
r
get_li
n
k_libraries
.
.
.
commit
|
commitdiff
|
tree
2020-05-04
Paul
B
auer
Us
e
t
e
s
t
conversion scr
i
p
t from s
o
u
r
ce
commit
|
commitdiff
|
tree
2020-05-04
Paul Bauer
Fix
incor
r
ect he
a
d
er
and linte
r
scripts
commit
|
commitdiff
|
tree
2020-05-01
P
aul Baue
r
Pre
p
ar
e
for 2020
.
3
commit
|
commitdiff
|
tree
2020-04-30
Pa
u
l Ba
u
er
GROMACS vers
i
on 2020
.
2
commit
|
commitdiff
|
tree
2020-04-30
Paul B
a
uer
Pri
n
t base commit for source l
i
nters
commit
|
commitdiff
|
tree
2020-04-30
P
a
ul Bauer
F
ix in
c
orrect header and lin
t
er
s
cr
i
pts
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
Disallow
combination o
f
gcc
> 9 and IBM_VSX
commit
|
commitdiff
|
tree
2020-04-29
Paul Baue
r
Print
base commit for
s
our
c
e linters
commit
|
commitdiff
|
tree
2020-04-29
Paul
Bauer
Use test conversion scr
i
p
t from source
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix s
e
gmentat
i
on faul
t
in do
_
d
s
sp
commit
|
commitdiff
|
tree
2020-04-27
Pau
l
B
a
uer
Build
python package for documenta
t
ion
b
uild
s
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix
w
arning for
r
eturn type
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix bug i
n
sourc
e
verification on Windows
commit
|
commitdiff
|
tree
2020-04-25
Paul
B
auer
F
i
x c
o
pyright hea
d
er
commit
|
commitdiff
|
tree
2020-04-25
Pau
l
Bauer
Use
b
ra
n
ch point also
for fo
r
mat
a
n
d
c
opyright check
commit
|
commitdiff
|
tree
next