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Remove bundled FindCUDA.cmake
2020-04-29
Paul Bauer
P
rint base commit
f
or
so
u
rce linters
commit
|
commitdiff
|
tree
2020-04-23
Paul Baue
r
Us
e
branch
p
oint also for format and copyr
i
ght check
commit
|
commitdiff
|
tree
2020-04-23
Paul Bauer
Make clang-tidy script more robus
t
commit
|
commitdiff
|
tree
2020-04-23
Pau
l
Ba
u
er
Fix parallel testi
n
g
commit
|
commitdiff
|
tree
2020-04-20
P
aul Bauer
Make tests check
c
od
e
for warn
i
ngs same
a
s the
main
.
.
.
commit
|
commitdiff
|
tree
2020-04-17
Paul Ba
u
er
Fix c
h
eck
s
ource
not parsing erro
r
s and warnings correctly
commit
|
commitdiff
|
tree
2020-04-16
Paul Bauer
Use GP
U
reso
u
rces for build types again
commit
|
commitdiff
|
tree
2020-04-13
Paul
B
a
uer
The ugliest ha
c
k to f
i
x rebase iss
u
es eve
r
commit
|
commitdiff
|
tree
2020-04-13
Pau
l
B
auer
Fix clang-ti
d
y
s
crip
t
a
n
d code
i
s
s
ue
commit
|
commitdiff
|
tree
2020-04-11
Paul Bauer
Add Image f
o
r GCC 7 and AMD OpenCL
commit
|
commitdiff
|
tree
2020-04-09
Paul Baue
r
Add clang-tidy scri
p
t
commit
|
commitdiff
|
tree
2020-04-06
Paul Bau
e
r
Add
AMD image buil
d
, v2
commit
|
commitdiff
|
tree
2020-03-23
Paul Bauer
F
ix release
bu
i
l
ds on
G
itlab with regress
i
ontests
commit
|
commitdiff
|
tree
2020-03-21
P
aul B
a
uer
Ad
d
D
o
cumentation build
t
o s
c
ript
commit
|
commitdiff
|
tree
2020-03-19
Paul B
a
ue
r
Add
s
cript to
g
enera
t
e CI
D
o
cker files
commit
|
commitdiff
|
tree
2020-03-09
Paul Bauer
F
ix wrong Docker ima
g
es in doc builds
commit
|
commitdiff
|
tree
2020-03-06
Paul
B
auer
Fix Gitlab
build issues
commit
|
commitdiff
|
tree
2020-03-04
Pau
l
Baue
r
Merge "Merge branch release-2020 i
n
to maste
r
"
commit
|
commitdiff
|
tree
2020-03-04
Pa
u
l
Bau
e
r
M
e
rg
e
bra
n
c
h
r
elea
s
e-2020
into master
commit
|
commitdiff
|
tree
2020-03-03
P
aul Bauer
Prepare fo
r
2020
.
2
commit
|
commitdiff
|
tree
2020-03-03
Paul Bauer
Ve
r
sion 2020
.
1
commit
|
commitdiff
|
tree
2020-03-03
Pa
u
l B
a
ue
r
Always hash files when building fr
o
m release
t
a
rball
commit
|
commitdiff
|
tree
2020-03-02
Paul Bau
e
r
Add Cu
d
a build
t
o gitla
b
CI
commit
|
commitdiff
|
tree
2020-03-02
Paul Bauer
Revert "Remove f
r
oz
e
n
atoms from VCM groups
"
commit
|
commitdiff
|
tree
2020-03-02
Paul Bauer
Re
m
ov
e
frozen
ato
m
s from V
C
M gro
u
ps
commit
|
commitdiff
|
tree
2020-02-28
Paul Baue
r
Merge
b
ranch releas
e
-2019 into release-2020
commit
|
commitdiff
|
tree
2020-02-28
Pa
u
l Bauer
Def
i
ne all CPU NB ke
r
n
els
commit
|
commitdiff
|
tree
2020-02-28
Paul Bauer
V
e
rsion 201
9
.
6
commit
|
commitdiff
|
tree
2020-02-25
Paul Bauer
Avoid integer overflow in
dispe
r
si
o
n correct
i
on
commit
|
commitdiff
|
tree
2020-02-25
P
a
ul Bauer
Re
v
ert "Exp
o
se
v
s
it
e
countin
g
"
commit
|
commitdiff
|
tree
2020-02-24
Paul Bauer
Fix clang-6 image tem
p
late
commit
|
commitdiff
|
tree
2020-02-21
Paul Bauer
Fix Gitlab doc build
commit
|
commitdiff
|
tree
2020-02-05
Paul
B
a
uer
Use more MD
L
ogger i
n
prepr
o
cessin
g
commit
|
commitdiff
|
tree
2020-01-31
Pau
l
Bauer
Use
MDLogger in grompp
commit
|
commitdiff
|
tree
2020-01-31
Pau
l
Ba
u
er
Start
u
s
i
ng MDLogger in gmxpreproces
s
commit
|
commitdiff
|
tree
2020-01-29
Paul Bauer
Wo
r
karoun
d
for
G
itlab archive
s
ize
commit
|
commitdiff
|
tree
2020-01-29
Pau
l
B
auer
Add replacement for symbol tab
l
e
commit
|
commitdiff
|
tree
2020-01-28
Paul Bauer
Merge bran
c
h origin/re
l
ease-
2
020 into master
commit
|
commitdiff
|
tree
2020-01-24
P
a
ul
B
auer
Add cool
quotes
commit
|
commitdiff
|
tree
2020-01-24
Paul B
a
uer
Use utf-8 for python file rea
d
ing
commit
|
commitdiff
|
tree
2020-01-21
Pa
u
l Bauer
Fix doc
u
mentat
i
on e
r
ror
wit
h
doxy
g
e
n >1
.
8
.
16
commit
|
commitdiff
|
tree
2020-01-17
Paul B
a
uer
Actual
l
y fi
x
Gitl
a
b do
c
bu
i
l
d
commit
|
commitdiff
|
tree
2020-01-17
Paul Bauer
Fi
x
bad link in develop
e
r docs
commit
|
commitdiff
|
tree
2020-01-16
Paul Bauer
F
ix n
i
ghtly build fa
i
lure on Gitlab
commit
|
commitdiff
|
tree
2020-01-15
P
a
ul Bauer
U
p
date n
o
nstd::optional
commit
|
commitdiff
|
tree
2020-01-15
Paul Bauer
A
llow ac
c
ess to optional outs
i
de libgromacs
commit
|
commitdiff
|
tree
2020-01-14
Paul Bauer
Use u
t
f-8 for pytho
n
file reading
commit
|
commitdiff
|
tree
2020-01-13
Paul Bauer
Rever
t
"Exclude b
u
ild-system files
from CPack"
commit
|
commitdiff
|
tree
2020-01-10
Paul Bauer
Fi
x
com
p
iler
w
arn
i
ngs on wind
o
ws
commit
|
commitdiff
|
tree
2020-01-07
Pau
l
Bauer
Merge b
r
a
nch
origin/
r
e
lea
s
e-2
0
20 into master
commit
|
commitdiff
|
tree
2020-01-07
Paul Bauer
Me
r
ge commi
t
d30f2cb6
f
rom release-2020 into master
commit
|
commitdiff
|
tree
2020-01-01
Paul Bauer
Pre
p
a
r
e for 20
2
0
.
1
commit
|
commitdiff
|
tree
2020-01-01
Paul Bauer
GROM
A
CS
2
020
r
e
l
e
a
se
commit
|
commitdiff
|
tree
2020-01-01
Paul Bauer
Revert "GROMACS 2020 rel
e
ase"
commit
|
commitdiff
|
tree
2020-01-01
Paul
B
auer
GROMACS 2020 re
l
ease
commit
|
commitdiff
|
tree
2019-12-30
P
a
ul
Bauer
Fix build err
o
r
w
ith wrong name from
c
ached cmake
file
commit
|
commitdiff
|
tree
2019-12-28
Paul B
a
u
e
r
Chan
g
e re
l
en
g
to give
information
about
G
i
t
l
ab
commit
|
commitdiff
|
tree
2019-12-28
Pau
l
B
a
uer
Ex
t
e
n
d infor
m
ation for GPU
u
p
d
ate
commit
|
commitdiff
|
tree
2019-12-28
Paul Bauer
Exclud
e
b
u
i
ld-sy
s
te
m
files from CPack
commit
|
commitdiff
|
tree
2019-12-28
Paul Bauer
R
em
o
ve me
m
bed from features
commit
|
commitdiff
|
tree
2019-12-28
P
aul Bauer
Depr
e
cate support for Armv7
commit
|
commitdiff
|
tree
2019-12-27
P
aul Bauer
A
dd co
p
y
r
ight
check
a
nd improve
c
ach
e
usage
commit
|
commitdiff
|
tree
2019-12-27
Paul Bauer
Merge or
i
gin/release
-
20
1
9 into r
e
lease-2020
commit
|
commitdiff
|
tree
2019-12-23
Paul B
a
ue
r
Add
fil
e
s for Gitlab
C
I
commit
|
commitdiff
|
tree
2019-12-23
Paul Bauer
P
r
epar
e
for GROMACS 2019
.
6
commit
|
commitdiff
|
tree
2019-12-23
Paul B
a
u
er
GROMAC
S
v
ersion 2019
.
5
commit
|
commitdiff
|
tree
2019-12-23
Paul Bauer
R
e
vert "Fix that tests
intended for m
u
ltiple ran
k
s
.
.
.
commit
|
commitdiff
|
tree
2019-12-20
P
a
ul Bau
e
r
Further updates to Gitlab
C
I
commit
|
commitdiff
|
tree
2019-12-20
Paul Bauer
Fix wrong heade
r
i
n
release notes
commit
|
commitdiff
|
tree
2019-12-20
Paul Bauer
GROMACS
2020 release candidate
commit
|
commitdiff
|
tree
2019-12-19
Paul
Bauer
Fix regressiontes
t
s failing with cte
s
t
commit
|
commitdiff
|
tree
2019-12-18
Pa
u
l
Bauer
Add
a
bility t
o
set OMP and tM
P
I thread f
o
r ctest
commit
|
commitdiff
|
tree
2019-12-18
Paul Bauer
Ignore build host for CI
b
uilds
commit
|
commitdiff
|
tree
2019-12-18
P
a
u
l
B
auer
Add abi
l
ity to set O
M
P and
t
M
PI threa
d
for ctest
commit
|
commitdiff
|
tree
2019-12-17
Paul Bauer
Test pa
r
allel mpi only
with openmp
commit
|
commitdiff
|
tree
2019-12-17
Pa
u
l Bau
e
r
Set corre
c
t dependenc
y
for doc build on gmxap
i
commit
|
commitdiff
|
tree
2019-12-17
Paul
Bauer
F
i
x compiler warning abou
t
extra ;
commit
|
commitdiff
|
tree
2019-12-17
Paul Bauer
Fix formatting error
commit
|
commitdiff
|
tree
2019-12-16
Paul Baue
r
Fix torsion
a
ngle calculation
commit
|
commitdiff
|
tree
2019-12-15
Paul
B
auer
Ignore build host f
o
r CI builds
commit
|
commitdiff
|
tree
2019-12-13
Paul Bauer
Set
c
o
r
rec
t
dependency for d
o
c
b
uild on gmxapi
commit
|
commitdiff
|
tree
2019-12-13
Paul Bauer
Fix
compiler warning about extra ;
commit
|
commitdiff
|
tree
2019-12-13
Paul Bauer
Check
f
or
using corr
e
ct hwlo
c
headers and runt
i
me
commit
|
commitdiff
|
tree
2019-12-12
Pau
l
B
auer
Merge bran
c
h 'origi
n
/release-2020' into master
commit
|
commitdiff
|
tree
2019-12-11
Paul Bauer
Update Gitlab CI to
latest fixes
commit
|
commitdiff
|
tree
2019-12-11
Paul B
a
uer
Test parall
e
l m
p
i only wi
t
h
openmp
commit
|
commitdiff
|
tree
2019-12-09
Paul Bauer
Hopefully final
g
i
tlab CI
fix
commit
|
commitdiff
|
tree
2019-12-09
P
aul B
a
uer
Mo
v
e doc build i
n
gitla
b
t
o post
-
tes
t
st
a
ge
commit
|
commitdiff
|
tree
2019-12-09
P
a
ul Bauer
E
v
en mor
e
g
i
tlab CI fixes
commit
|
commitdiff
|
tree
2019-12-09
Pau
l
Baue
r
M
o
re fixes
to
g
itlab
CI f
i
les
commit
|
commitdiff
|
tree
2019-12-09
Paul Bauer
Fix e
r
ror in gitlab CI fil
e
commit
|
commitdiff
|
tree
2019-12-06
Paul Baue
r
Add fil
e
s
for gitlab
c
i
testing
commit
|
commitdiff
|
tree
2019-12-03
Paul Bauer
Third b
e
ta rele
a
se of
G
ROMACS 2
0
20
commit
|
commitdiff
|
tree
2019-12-03
P
a
ul Bauer
Revert "E
n
ab
l
e GPU u
p
d
a
t
e wit
h
DD
w
h
en GP
U
comm fe
a
tures
.
.
.
commit
|
commitdiff
|
tree
2019-12-03
Paul Bauer
Fix nightly
b
uild by
corre
c
tly defining sev
e
ral
commit
|
commitdiff
|
tree
2019-12-02
Paul
B
auer
S
et update to run on GP
U
by defau
l
t
if
p
o
s
s
ib
l
e
commit
|
commitdiff
|
tree
2019-12-01
P
a
ul Bauer
Use
DOI for citi
n
g
i
n reference manual s
e
c
t
ion
commit
|
commitdiff
|
tree
2019-11-30
Paul Bauer
Merge
o
r
igin/rel
e
ase-2020 into mast
e
r
commit
|
commitdiff
|
tree
2019-11-29
P
a
ul
B
au
e
r
Fix
u
n
aligned a
c
ce
s
s
w
it
h
AVX51
2
commit
|
commitdiff
|
tree
2019-11-29
Paul Bauer
Fi
x
b
u
ild erro
r
without t
h
read or regular mpi
commit
|
commitdiff
|
tree
next