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Do not validate build for external source management
2020-10-13
Paul Bauer
Do not validat
e
build
for external sourc
e
manag
e
ment
commit
|
commitdiff
|
tree
2020-10-09
Paul
B
auer
Remove und
e
r
the hood editin
g
o
f
pdb files
commit
|
commitdiff
|
tree
2020-10-07
Paul Bauer
Fix download location for
r
egressio
n
tests
commit
|
commitdiff
|
tree
2020-10-07
P
aul Bauer
F
ix SYCL compilation
commit
|
commitdiff
|
tree
2020-10-07
Paul Baue
r
Merge branch 'origin/release-2020' into me
r
ge-release
.
.
.
commit
|
commitdiff
|
tree
2020-10-06
Paul
Bauer
S
et
p
r
oper devi
c
eVendor
w
ith SYCL
commit
|
commitdiff
|
tree
2020-10-06
Paul Bauer
P
r
epare for GROMAC
S
20
2
0
.
5
commit
|
commitdiff
|
tree
2020-10-06
Paul Bau
e
r
GROMACS version 2020
.
4
commit
|
commitdiff
|
tree
2020-10-05
P
a
u
l Baue
r
Alw
a
ys set Devic
e
Ven
d
or
commit
|
commitdiff
|
tree
2020-10-05
Paul Bauer
Fix deb
u
g message loc
a
tion
commit
|
commitdiff
|
tree
2020-10-05
Paul B
a
uer
Add
m
u
parser
and
C
Make
h
andling
commit
|
commitdiff
|
tree
2020-10-05
Paul Bau
e
r
Fix doxygen warning
s
commit
|
commitdiff
|
tree
2020-10-02
Paul Bauer
Work-aroun
d
for RDRAN
D
returnin
g
-1 o
n
Ryzen
commit
|
commitdiff
|
tree
2020-10-02
Paul
B
auer
Remove ano
n
ymous namesp
a
ce
in ARM S
V
E
head
e
r
commit
|
commitdiff
|
tree
2020-10-01
Paul B
a
u
er
Break up MPI
t
ests
commit
|
commitdiff
|
tree
2020-10-01
P
aul Bauer
Fix
p
ost merge ac
c
e
pta
n
ce pipeline for release-2020
commit
|
commitdiff
|
tree
2020-09-30
Paul Bauer
Up
d
a
te CI on 2020 b
r
anch
commit
|
commitdiff
|
tree
2020-09-30
Paul Bauer
Revert
"Add new GROMACS logo and us
e
it in the
m
anual
.
"
commit
|
commitdiff
|
tree
2020-09-30
Paul
Baue
r
Add n
e
w
G
ROMACS l
o
go and use it
i
n the manu
a
l
.
commit
|
commitdiff
|
tree
2020-09-29
P
aul
Bauer
Fix doxyg
e
n war
n
in
g
s
commit
|
commitdiff
|
tree
2020-09-29
Paul Bau
e
r
Add pos
t
submit ru
l
e
s
to CI
commit
|
commitdiff
|
tree
2020-09-28
P
au
l
B
au
e
r
Change down
l
oad for regressiontest a
w
ay from gerrit
commit
|
commitdiff
|
tree
2020-09-25
Paul Bauer
F
i
x bad log
i
c in regr
e
ssio
n
tes
t
b
r
anch selection
commit
|
commitdiff
|
tree
2020-09-24
Paul Bauer
Allow d
e
p
loyment
of nightly webpag
e
to server
commit
|
commitdiff
|
tree
2020-09-22
P
a
ul Ba
u
er
Make O
n
e
api use CCache again
commit
|
commitdiff
|
tree
2020-09-21
Paul Bauer
Fix scr
i
pt bui
l
ding all CI cont
a
ine
r
s and add g
c
ovr
commit
|
commitdiff
|
tree
2020-09-21
Paul Bauer
Add OpenSSH
to docs build im
a
ge
s
commit
|
commitdiff
|
tree
2020-09-16
Paul Bauer
Break
off
some tests from mdrun tests
commit
|
commitdiff
|
tree
2020-09-15
Paul
B
auer
Break
o
f
f
s
ome tests from mdrun t
e
sts
commit
|
commitdiff
|
tree
2020-09-15
Paul Bauer
Fix missing installed fi
l
e
s for Ope
n
CL
P
ME
commit
|
commitdiff
|
tree
2020-09-15
Paul
B
auer
Fi
x
m
i
ssing
i
nclude for MSVC buil
d
commit
|
commitdiff
|
tree
2020-09-11
P
a
ul Bauer
Re
m
o
ve lef
t
over data
a
fter refactoring
commit
|
commitdiff
|
tree
2020-09-11
Pa
u
l
B
auer
Fix doxygen for un
u
sed pa
r
ameters
.
commit
|
commitdiff
|
tree
2020-09-11
Paul Ba
u
er
Force use
o
f
Pyth
o
n3 in Doxyge
n
CMakeFiles
commit
|
commitdiff
|
tree
2020-09-10
Paul Bauer
Minor fix to th
e
printout for
r
egtest builds
commit
|
commitdiff
|
tree
2020-09-08
Paul Bau
e
r
M
o
ve densityfitting to
its own di
r
ect
o
r
y
commit
|
commitdiff
|
tree
2020-09-07
Paul Bauer
Fix output string for GPU support
commit
|
commitdiff
|
tree
2020-08-31
Paul Bauer
Merge bra
n
c
h '
r
elease-2020
'
i
n
t
o mast
e
r
commit
|
commitdiff
|
tree
2020-08-17
Paul Bauer
Fix clang-for
m
at
commit
|
commitdiff
|
tree
2020-08-17
P
aul Bau
e
r
R
e
d
uce
a
rtifac
t
size
commit
|
commitdiff
|
tree
2020-07-27
Paul
Bau
e
r
Revert "Chan
g
e
builds that use failing
docker
container
s
"
commit
|
commitdiff
|
tree
2020-07-09
Paul
Bauer
Prepare for
G
ROM
A
C
S 2020
.
4
commit
|
commitdiff
|
tree
2020-07-09
P
a
ul Ba
u
e
r
GROMACS v
e
r
s
ion
2
020
.
3
commit
|
commitdiff
|
tree
2020-07-07
Paul Bauer
M
o
ve den
s
i
tyfitting
to
its o
w
n di
r
ectory
commit
|
commitdiff
|
tree
2020-07-01
P
aul Bau
e
r
Revert "Ma
k
e eve
r
ything
r
un
o
n Gitlab infras
t
ructure
.
"
commit
|
commitdiff
|
tree
2020-07-01
Paul Bauer
Change
b
uilds that us
e
failin
g
dock
e
r containe
r
s
commit
|
commitdiff
|
tree
2020-07-01
Paul Baue
r
D
i
sable faili
n
g
builds for mas
t
er branch
commit
|
commitdiff
|
tree
2020-06-29
Paul B
a
uer
M
ake everything
ru
n
on Gitlab infrastr
u
cture
.
commit
|
commitdiff
|
tree
2020-06-26
Paul
B
a
uer
Ma
k
e DSSP
default path
c
onfigurable
commit
|
commitdiff
|
tree
2020-06-26
Paul Bauer
Minor cleanup in gmx bar
commit
|
commitdiff
|
tree
2020-06-24
Paul Bauer
Fix wa
r
ning about need
i
ng
c
o
n
fig
.
h
commit
|
commitdiff
|
tree
2020-06-18
Paul Bauer
Fix miss
i
n
g
#include <string>
commit
|
commitdiff
|
tree
2020-06-12
Paul Bau
e
r
Fix false in
i
tiali
z
a
t
ion values in
g
mx
hbond
commit
|
commitdiff
|
tree
2020-06-11
Pa
u
l Bauer
Fix false initi
a
liza
t
ion values in gmx hbond
commit
|
commitdiff
|
tree
2020-06-10
P
aul Baue
r
P
r
oper fix for
g
mx do_dssp
commit
|
commitdiff
|
tree
2020-06-09
P
a
ul Bauer
Extract COM handl
i
ng from trjc
o
nv
commit
|
commitdiff
|
tree
2020-06-05
Paul Bauer
F
ix segmentation fault when re
a
ding en
e
rgy terms
commit
|
commitdiff
|
tree
2020-06-05
Paul
Ba
u
er
Use moltype directly fo
r
obtaining residueAtom
R
anges
commit
|
commitdiff
|
tree
2020-06-05
Paul Bauer
F
i
x
f
ailing we
b
pag
e
build
commit
|
commitdiff
|
tree
2020-06-04
Paul Bauer
A
d
d
a
bility to ch
o
se regressiontest commit and bran
c
h
commit
|
commitdiff
|
tree
2020-06-02
Paul
Bauer
Add
function to
g
et residue start and end
commit
|
commitdiff
|
tree
2020-05-29
Paul B
a
uer
Add test for I
n
teractio
n
List
commit
|
commitdiff
|
tree
2020-05-29
Paul Bauer
Corr
e
ct
r
e
gular
e
xpression for
c
l
a
ng-tidy
.
s
h
commit
|
commitdiff
|
tree
2020-05-25
Paul Bauer
F
i
x
awk error in clan
g
-
t
idy scrip
t
commit
|
commitdiff
|
tree
2020-05-25
P
aul Bauer
F
i
x
c
l
an
g
-tidy warnings
commit
|
commitdiff
|
tree
2020-05-24
P
a
ul Bauer
Add conversion
from new
to legacy symt
a
b
commit
|
commitdiff
|
tree
2020-05-24
Paul Bauer
Avoid par
s
ing
o
f fatalerror
.
cpp
as
lint failur
e
commit
|
commitdiff
|
tree
2020-05-23
Paul Bauer
Modernize c
o
n
vert-t
p
r
commit
|
commitdiff
|
tree
2020-05-23
P
a
ul Bau
e
r
Add tests for tool help
o
ut
p
ut wr
i
ting
commit
|
commitdiff
|
tree
2020-05-22
Paul Bauer
Avoid p
a
rs
i
ng of
f
a
t
alerror
.
cpp as
l
in
t
failure
commit
|
commitdiff
|
tree
2020-05-20
Paul Bauer
Fix compile
e
rr
o
rs
commit
|
commitdiff
|
tree
2020-05-19
Paul Bauer
Remove unne
c
e
s
sary
includes
o
f
a
rrayref
.
h
commit
|
commitdiff
|
tree
2020-05-14
Paul Bauer
Avoi
d
CI errors from overlo
a
d
i
ng
resource
s
commit
|
commitdiff
|
tree
2020-05-13
Paul Bauer
F
i
x che
c
k source
e
rr
o
r
parsing
commit
|
commitdiff
|
tree
2020-05-12
Paul Bauer
Fix archive b
u
i
ld
commit
|
commitdiff
|
tree
2020-05-06
Paul Ba
u
er
M
e
r
g
e
branch 'origin/release-202
0
'
into mas
t
er
commit
|
commitdiff
|
tree
2020-05-05
Paul B
a
uer
Fix
copyri
g
ht
commit
|
commitdiff
|
tree
2020-05-04
Paul Baue
r
Fix cmake err
o
r
: Mixed styles of targ
e
t_link_
l
ibr
a
ries
.
.
.
commit
|
commitdiff
|
tree
2020-05-04
Paul Baue
r
Use test
c
onversion script from
source
commit
|
commitdiff
|
tree
2020-05-04
Paul Bau
e
r
Fix in
c
orrec
t
header and linter scripts
commit
|
commitdiff
|
tree
2020-05-01
Pa
u
l Baue
r
P
r
epare
f
or 2020
.
3
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
G
ROMACS version 2020
.
2
commit
|
commitdiff
|
tree
2020-04-30
P
a
ul
B
aue
r
Print ba
s
e commit for s
o
ur
c
e
linters
commit
|
commitdiff
|
tree
2020-04-30
Paul Bau
e
r
Fix incorrect heade
r
a
nd l
i
nter scrip
t
s
commit
|
commitdiff
|
tree
2020-04-30
Paul Ba
u
e
r
D
isallow combination of gc
c
>
9
a
nd IBM_
V
S
X
commit
|
commitdiff
|
tree
2020-04-29
Paul Bau
e
r
Print base commit for source l
i
nte
r
s
commit
|
commitdiff
|
tree
2020-04-29
P
a
ul Bauer
U
s
e
t
est conversion script from
so
u
rce
commit
|
commitdiff
|
tree
2020-04-27
P
aul Bauer
Fix
s
e
g
mentatio
n
fault in
d
o_dssp
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Build pyt
h
on pac
k
age for
d
ocumentation builds
commit
|
commitdiff
|
tree
2020-04-27
Pa
u
l Ba
u
er
Fix
w
arning for return ty
p
e
commit
|
commitdiff
|
tree
2020-04-27
Paul Bau
e
r
Fix
b
u
g in
sour
c
e verification
o
n
Windows
commit
|
commitdiff
|
tree
2020-04-25
Paul Bauer
Fix copyri
g
h
t
header
commit
|
commitdiff
|
tree
2020-04-25
P
au
l
Bauer
Use branc
h
point
also for format and copyright
check
commit
|
commitdiff
|
tree
2020-04-24
Paul Ba
u
er
Fix
p
a
r
a
l
lel testin
g
commit
|
commitdiff
|
tree
2020-04-23
Paul Bauer
U
se branch point als
o
for fo
r
mat and copyright check
commit
|
commitdiff
|
tree
2020-04-23
Paul
B
a
uer
Make cl
a
ng-t
i
dy script mo
r
e robus
t
commit
|
commitdiff
|
tree
2020-04-23
P
aul Bauer
Fix
p
arallel testing
commit
|
commitdiff
|
tree
2020-04-22
Paul Bauer
Copy
o
f
C
I fr
o
m ma
s
ter to
2020
commit
|
commitdiff
|
tree
2020-04-20
P
a
ul Bauer
M
a
k
e
tests check code for war
n
in
g
s sam
e
as the main
.
.
.
commit
|
commitdiff
|
tree
2020-04-17
P
a
ul Bauer
Fix
c
heck
s
ource not parsin
g
erro
r
s
and
wa
r
n
i
ngs
c
orrectly
commit
|
commitdiff
|
tree
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