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Do not validate build for external source management
2020-10-13
Pau
l
Bauer
Do
not valida
t
e
build fo
r
exte
r
nal sourc
e
manageme
n
t
commit
|
commitdiff
|
tree
2020-10-09
Paul Bauer
Remove unde
r
th
e
hood
e
diting of
p
db files
commit
|
commitdiff
|
tree
2020-10-07
Paul
B
auer
Fix download l
o
cation f
o
r regressiont
e
sts
commit
|
commitdiff
|
tree
2020-10-07
Pa
u
l Bauer
F
ix
SYCL compilatio
n
commit
|
commitdiff
|
tree
2020-10-07
Pau
l
Bauer
Mer
g
e branch 'or
i
gin/release-2020' into merge-release
.
.
.
commit
|
commitdiff
|
tree
2020-10-06
Paul Bau
e
r
Set proper deviceVen
d
or with S
Y
CL
commit
|
commitdiff
|
tree
2020-10-06
Paul Bauer
Prepar
e
f
o
r GROMACS 202
0
.
5
commit
|
commitdiff
|
tree
2020-10-06
Paul
Bauer
GROMACS version 2020
.
4
commit
|
commitdiff
|
tree
2020-10-05
Paul Bauer
Alw
a
ys set DeviceVendor
commit
|
commitdiff
|
tree
2020-10-05
Paul
B
auer
Fix debug
mes
s
age
l
ocat
i
on
commit
|
commitdiff
|
tree
2020-10-05
Pau
l
Bauer
Ad
d
muparser and CMake handling
commit
|
commitdiff
|
tree
2020-10-05
P
aul Bauer
Fix doxygen
w
a
r
n
i
ngs
commit
|
commitdiff
|
tree
2020-10-02
Paul
Ba
u
er
Work-around for RDRAND return
i
ng -1
o
n Ryzen
commit
|
commitdiff
|
tree
2020-10-02
Paul Bauer
R
e
m
ove a
n
onymous n
a
me
s
pace
i
n
ARM SV
E
header
commit
|
commitdiff
|
tree
2020-10-01
Paul Baue
r
Break up MPI tests
commit
|
commitdiff
|
tree
2020-10-01
Paul Bauer
Fix po
s
t merge a
c
ceptance pipeline for release-2020
commit
|
commitdiff
|
tree
2020-09-30
Paul B
a
uer
Update CI on 2020 branch
commit
|
commitdiff
|
tree
2020-09-30
Paul Baue
r
Revert "Add new GROMACS lo
g
o and u
s
e
i
t
in the
m
a
n
ual
.
"
commit
|
commitdiff
|
tree
2020-09-30
Paul Baue
r
Add new GROMAC
S
logo
a
nd u
s
e it
i
n the manua
l
.
commit
|
commitdiff
|
tree
2020-09-29
Paul Bau
e
r
Fix doxygen
warnin
g
s
commit
|
commitdiff
|
tree
2020-09-29
Pau
l
Bauer
Add post su
b
mit
r
u
les
t
o
C
I
commit
|
commitdiff
|
tree
2020-09-28
Paul B
a
u
e
r
Change dow
n
l
oad
f
or
r
egressiontest away from gerrit
commit
|
commitdiff
|
tree
2020-09-25
Paul Bauer
Fix bad log
i
c
in regression
t
e
s
t branch s
e
lect
i
on
commit
|
commitdiff
|
tree
2020-09-24
Pau
l
Bauer
Allow deployment of nightly webpage to
s
erv
e
r
commit
|
commitdiff
|
tree
2020-09-22
Paul Bauer
M
a
ke Oneapi
u
s
e CCache again
commit
|
commitdiff
|
tree
2020-09-21
Paul Bauer
Fix script building all CI contain
e
rs and add gcovr
commit
|
commitdiff
|
tree
2020-09-21
P
aul Baue
r
Ad
d
O
p
enSSH to docs build im
a
ges
commit
|
commitdiff
|
tree
2020-09-16
Paul Bauer
Break off some tests
from m
d
r
un tests
commit
|
commitdiff
|
tree
2020-09-15
P
a
ul
Bauer
Break off some tests from mdrun
tests
commit
|
commitdiff
|
tree
2020-09-15
Paul
B
auer
F
i
x missing installed files for OpenCL PME
commit
|
commitdiff
|
tree
2020-09-15
Paul Bauer
Fix missing include for
M
SVC b
u
ild
commit
|
commitdiff
|
tree
2020-09-11
P
au
l
Bauer
Remove leftov
e
r data after ref
a
ctoring
commit
|
commitdiff
|
tree
2020-09-11
Paul Bauer
Fix doxygen
for unused par
a
meters
.
commit
|
commitdiff
|
tree
2020-09-11
Paul Bauer
F
orce use of P
y
thon3 in Dox
y
g
e
n
CMakeFi
l
es
commit
|
commitdiff
|
tree
2020-09-10
Pau
l
Bauer
Minor
f
ix
to the printout for reg
t
est builds
commit
|
commitdiff
|
tree
2020-09-08
Paul Bauer
M
ove densityfitting to i
t
s own dire
c
tor
y
commit
|
commitdiff
|
tree
2020-09-07
Pau
l
B
a
u
e
r
Fix outpu
t
string for GPU suppor
t
commit
|
commitdiff
|
tree
2020-08-31
Paul Bauer
M
e
rge branch 'relea
s
e
-
2
020' into m
a
ster
commit
|
commitdiff
|
tree
2020-08-17
Pa
u
l Bauer
Fix clang-format
commit
|
commitdiff
|
tree
2020-08-17
Paul Bauer
R
e
duce
art
i
fact size
commit
|
commitdiff
|
tree
2020-07-27
Paul B
a
uer
R
e
vert "Change b
u
ilds that u
s
e failing do
c
ker containe
r
s
"
commit
|
commitdiff
|
tree
2020-07-09
P
a
ul Baue
r
P
re
p
ar
e
f
o
r GROMACS 2
0
20
.
4
commit
|
commitdiff
|
tree
2020-07-09
Paul Bauer
GROMACS version 202
0
.
3
commit
|
commitdiff
|
tree
2020-07-07
Paul B
a
uer
Move densityfitting t
o
it
s
own director
y
commit
|
commitdiff
|
tree
2020-07-01
Paul Bauer
Revert "Make everything
r
u
n on Gitlab infrastructure
.
"
commit
|
commitdiff
|
tree
2020-07-01
P
a
ul B
a
uer
Cha
n
g
e builds that use fail
i
ng docker
containers
commit
|
commitdiff
|
tree
2020-07-01
Paul Bauer
Disable
failing
builds for m
a
ster branch
commit
|
commitdiff
|
tree
2020-06-29
Paul
Bauer
Make eve
r
ything run on Gitlab infrastruct
u
r
e
.
commit
|
commitdiff
|
tree
2020-06-26
P
a
ul Bauer
M
ake DS
S
P default pa
t
h configurable
commit
|
commitdiff
|
tree
2020-06-26
P
a
ul
B
a
u
e
r
Minor cleanup in gmx bar
commit
|
commitdiff
|
tree
2020-06-24
P
a
ul Bauer
Fix warni
n
g a
b
o
u
t
needing config
.
h
commit
|
commitdiff
|
tree
2020-06-18
Pa
u
l Bau
e
r
F
i
x missing #include <string
>
commit
|
commitdiff
|
tree
2020-06-12
Paul
B
auer
F
ix fals
e
i
n
itialization
values in gm
x
h
b
ond
commit
|
commitdiff
|
tree
2020-06-11
Paul B
a
u
e
r
Fix false initia
l
i
zation values in gmx hbond
commit
|
commitdiff
|
tree
2020-06-10
Paul Bauer
Pr
o
p
er
f
i
x for gmx
d
o
_ds
s
p
commit
|
commitdiff
|
tree
2020-06-09
Paul Bauer
Ext
r
act
C
OM h
a
ndling from trjconv
commit
|
commitdiff
|
tree
2020-06-05
Pa
u
l Bauer
Fix
segmentation f
a
ult
when
reading ene
r
gy terms
commit
|
commitdiff
|
tree
2020-06-05
P
a
ul Bauer
Use
molty
p
e directly for obtaining residu
e
A
tomRanges
commit
|
commitdiff
|
tree
2020-06-05
Paul Baue
r
Fix faili
n
g
webpage build
commit
|
commitdiff
|
tree
2020-06-04
Pau
l
B
a
uer
Add
ability to chose re
g
ressiont
e
st
commit
a
nd branch
commit
|
commitdiff
|
tree
2020-06-02
P
aul Bauer
Add
f
u
nction to get residu
e
st
a
r
t
and end
commit
|
commitdiff
|
tree
2020-05-29
P
a
u
l
Bauer
A
d
d test f
o
r In
t
e
r
actionList
commit
|
commitdiff
|
tree
2020-05-29
Pau
l
Bauer
C
o
rrect regular expr
e
ssion for clang-ti
d
y
.
sh
commit
|
commitdiff
|
tree
2020-05-25
Paul Bauer
Fix awk error
i
n
cla
n
g-tidy
script
commit
|
commitdiff
|
tree
2020-05-25
Paul Bauer
Fix clang-tidy warni
n
gs
commit
|
commitdiff
|
tree
2020-05-24
P
aul Bauer
Add c
o
nversion
f
r
om new to legacy symtab
commit
|
commitdiff
|
tree
2020-05-24
P
aul Bauer
Avoid
p
arsing of
f
atalerror
.
cpp as
l
int failure
commit
|
commitdiff
|
tree
2020-05-23
Pa
u
l Ba
u
er
Modernize c
o
nvert-tpr
commit
|
commitdiff
|
tree
2020-05-23
P
a
u
l Bau
e
r
A
d
d tests for tool h
e
lp output wri
t
in
g
commit
|
commitdiff
|
tree
2020-05-22
Paul Baue
r
Avoid par
s
in
g
of fatalerror
.
cpp
as
l
i
n
t
fail
u
re
commit
|
commitdiff
|
tree
2020-05-20
Pau
l
Bauer
Fix compile errors
commit
|
commitdiff
|
tree
2020-05-19
Paul Bauer
Remove u
n
necessary i
n
clud
e
s of arrayref
.
h
commit
|
commitdiff
|
tree
2020-05-14
Paul Bauer
Avoid
C
I
error
s
from overl
o
ading reso
u
rce
s
commit
|
commitdiff
|
tree
2020-05-13
Paul
B
auer
F
ix check so
u
rce error par
s
ing
commit
|
commitdiff
|
tree
2020-05-12
P
a
ul Bau
e
r
Fix archive build
commit
|
commitdiff
|
tree
2020-05-06
P
a
ul Bauer
Merge branch '
o
rigin/r
e
lease-2020' into master
commit
|
commitdiff
|
tree
2020-05-05
Paul Bau
e
r
Fix copyright
commit
|
commitdiff
|
tree
2020-05-04
Paul Bauer
F
ix cm
a
ke erro
r
: Mixed
s
tyles of target_link
_
li
b
rar
i
es
.
.
.
commit
|
commitdiff
|
tree
2020-05-04
P
aul Bauer
Use test
c
onversion sc
r
ipt f
r
o
m
s
o
urce
commit
|
commitdiff
|
tree
2020-05-04
Pa
u
l Bauer
Fix in
c
orrect header a
n
d
li
n
ter scrip
t
s
commit
|
commitdiff
|
tree
2020-05-01
Paul Bauer
Pre
p
are for
2
020
.
3
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
GROMACS vers
i
on 2020
.
2
commit
|
commitdiff
|
tree
2020-04-30
Pa
u
l Ba
u
er
P
rin
t
base commit for sour
c
e
l
inte
r
s
commit
|
commitdiff
|
tree
2020-04-30
Pa
u
l
Bau
e
r
Fix incor
r
ect header and
linter
sc
r
ipts
commit
|
commitdiff
|
tree
2020-04-30
Paul Ba
u
er
Disa
l
low combination of gcc > 9 and
IBM_VSX
commit
|
commitdiff
|
tree
2020-04-29
Pa
u
l Ba
u
er
Print
base
co
m
mit for s
o
urce linters
commit
|
commitdiff
|
tree
2020-04-29
P
a
ul Ba
u
e
r
Use test
c
onversion script f
r
om sou
r
ce
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix segm
e
ntati
o
n
fa
u
l
t
in do_dssp
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Bui
l
d
p
ython package
f
or
d
o
cumen
t
at
i
o
n b
u
i
l
ds
commit
|
commitdiff
|
tree
2020-04-27
P
au
l
Bauer
Fix warning for ret
u
rn type
commit
|
commitdiff
|
tree
2020-04-27
Pa
u
l Ba
u
er
Fix bug
i
n
s
ource verifica
t
ion on Wi
n
dows
commit
|
commitdiff
|
tree
2020-04-25
Paul Bauer
Fix copyright he
a
der
commit
|
commitdiff
|
tree
2020-04-25
P
aul Bauer
Use branch
point also for format and c
o
py
r
ight check
commit
|
commitdiff
|
tree
2020-04-24
P
a
u
l
Bauer
Fi
x
pa
r
a
l
l
e
l testing
commit
|
commitdiff
|
tree
2020-04-23
Paul B
a
uer
Use branch
p
oin
t
a
lso fo
r
format and
copy
r
ight
check
commit
|
commitdiff
|
tree
2020-04-23
P
a
ul
B
auer
Make
c
l
ang-t
i
dy script
m
o
re robust
commit
|
commitdiff
|
tree
2020-04-23
Paul B
a
uer
Fix pa
r
allel test
i
ng
commit
|
commitdiff
|
tree
2020-04-22
Paul Bauer
Copy of CI from master to
2
020
commit
|
commitdiff
|
tree
2020-04-20
Paul Baue
r
Make tests
c
heck code for warning
s
same
a
s
the main
.
.
.
commit
|
commitdiff
|
tree
2020-04-17
Paul B
a
u
er
Fix check source not
p
ar
s
ing errors a
n
d
warnin
g
s
c
o
r
re
c
t
l
y
commit
|
commitdiff
|
tree
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