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Merge branch 'origin/release-2020' into master
2020-05-06
Paul Bauer
Merge
b
ra
n
c
h
'or
i
g
i
n/relea
s
e-2020' into master
commit
|
commitdiff
|
tree
2020-05-05
Paul Bauer
Fix
c
o
pyright
commit
|
commitdiff
|
tree
2020-05-04
Paul Bau
e
r
Fix cmake err
o
r: Mi
x
e
d styles of target_link_libraries
.
.
.
commit
|
commitdiff
|
tree
2020-05-04
P
a
u
l Bauer
U
s
e te
s
t conversion script from source
commit
|
commitdiff
|
tree
2020-05-04
Paul Bauer
Fix incorrect
h
eader
and li
n
ter scrip
t
s
commit
|
commitdiff
|
tree
2020-05-01
Pa
u
l Bau
e
r
Pre
p
are for 2020
.
3
commit
|
commitdiff
|
tree
2020-04-30
Paul Bauer
GROMACS vers
i
on 2020
.
2
commit
|
commitdiff
|
tree
2020-04-30
P
au
l
Baue
r
P
rint ba
s
e co
m
m
i
t for source linte
r
s
commit
|
commitdiff
|
tree
2020-04-30
Paul Baue
r
Fix inc
o
rrect heade
r
and linter scr
i
pts
commit
|
commitdiff
|
tree
2020-04-30
Pa
u
l Bauer
D
isallow combinat
i
on of gcc
>
9 and
IBM_V
S
X
commit
|
commitdiff
|
tree
2020-04-29
Paul B
a
uer
Print
ba
s
e co
m
m
i
t for sourc
e
linters
commit
|
commitdiff
|
tree
2020-04-29
Paul Bauer
Use test conversion
s
c
ript fro
m
source
commit
|
commitdiff
|
tree
2020-04-27
Paul Bauer
Fix s
e
gmentation fault in do_dssp
commit
|
commitdiff
|
tree
2020-04-27
Paul
Bauer
Build
pyth
o
n packag
e
fo
r
docum
e
n
t
at
i
on builds
commit
|
commitdiff
|
tree
2020-04-27
P
a
ul Bauer
Fix wa
r
ning for return type
commit
|
commitdiff
|
tree
2020-04-27
Paul
B
au
e
r
F
ix
b
u
g in sourc
e
verification on Wi
n
dows
commit
|
commitdiff
|
tree
2020-04-25
Paul Bau
e
r
F
i
x copyright h
e
ader
commit
|
commitdiff
|
tree
2020-04-25
Paul
Bauer
Use b
r
anch p
o
int al
s
o for fo
r
mat an
d
copy
r
ight chec
k
commit
|
commitdiff
|
tree
2020-04-24
Paul
Bauer
Fix para
l
lel testing
commit
|
commitdiff
|
tree
2020-04-23
Pau
l
B
auer
Use br
a
nch
po
i
nt also for fo
r
mat and copyrig
h
t
check
commit
|
commitdiff
|
tree
2020-04-23
Paul Bauer
M
a
k
e
clang-ti
d
y script more robust
commit
|
commitdiff
|
tree
2020-04-23
P
aul Bauer
Fi
x
paralle
l
test
i
ng
commit
|
commitdiff
|
tree
2020-04-22
P
a
ul Bauer
C
o
py of CI from master to 2020
commit
|
commitdiff
|
tree
2020-04-20
P
a
ul Bauer
Make tests check code
for
warnings same as
the main
.
.
.
commit
|
commitdiff
|
tree
2020-04-17
Paul Bauer
Fix ch
e
ck source not
p
arsing er
r
ors a
n
d
war
n
in
g
s correctly
commit
|
commitdiff
|
tree
2020-04-16
Paul
B
auer
Use GPU resources f
o
r bui
l
d types again
commit
|
commitdiff
|
tree
2020-04-13
Paul B
a
u
er
The uglies
t
hac
k
to fix r
e
b
a
s
e
i
s
sues
e
ve
r
commit
|
commitdiff
|
tree
2020-04-13
P
aul Bauer
Fi
x
clang-tidy sc
r
i
pt an
d
code issue
commit
|
commitdiff
|
tree
2020-04-11
Paul Baue
r
A
d
d Image for GC
C
7
a
nd
AMD
O
pen
C
L
commit
|
commitdiff
|
tree
2020-04-09
Pau
l
Bauer
A
dd clang-tidy sc
r
i
p
t
commit
|
commitdiff
|
tree
2020-04-06
P
a
ul Bauer
Add AMD
image build, v2
commit
|
commitdiff
|
tree
2020-03-23
Paul Bauer
Fix release builds on
G
itlab
w
i
th
r
egress
i
ontests
commit
|
commitdiff
|
tree
2020-03-22
Pa
u
l Bauer
Fix release builds
o
n Gitlab with regressiontests
commit
|
commitdiff
|
tree
2020-03-22
Paul Bauer
Add Do
c
umentatio
n
bu
i
l
d to script
commit
|
commitdiff
|
tree
2020-03-21
Pau
l
Baue
r
A
d
d Documentatio
n
build to
sc
r
ipt
commit
|
commitdiff
|
tree
2020-03-20
P
a
u
l Bau
e
r
Add script t
o
g
e
nerate
CI
Doc
k
er files
commit
|
commitdiff
|
tree
2020-03-19
Paul
B
auer
Ad
d
required Infr
a
str
u
cture fo
r
Gitlab
m
erges
commit
|
commitdiff
|
tree
2020-03-19
Pau
l
Bauer
Ad
d
script to genera
t
e
C
I Docker file
s
commit
|
commitdiff
|
tree
2020-03-18
Paul Bauer
Fix i
m
age mixup for GItlab d
o
c builds
commit
|
commitdiff
|
tree
2020-03-09
Pa
u
l
Bauer
Fix wrong Do
c
ker imag
e
s in
d
oc bui
l
ds
commit
|
commitdiff
|
tree
2020-03-07
Paul Bauer
Add cla
n
g-tidy
script
commit
|
commitdiff
|
tree
2020-03-06
Paul Bauer
Fix
G
itlab build
i
s
s
u
es
commit
|
commitdiff
|
tree
2020-03-04
P
aul Bauer
Merge
"
Merge b
r
a
nch r
e
l
ease-2
0
20 into master"
commit
|
commitdiff
|
tree
2020-03-04
Paul
B
au
e
r
Merge branch
r
elease-2020 into maste
r
commit
|
commitdiff
|
tree
2020-03-03
P
aul B
a
uer
Prepa
r
e for
2020
.
2
commit
|
commitdiff
|
tree
2020-03-03
P
aul B
a
uer
V
e
r
si
o
n 2020
.
1
commit
|
commitdiff
|
tree
2020-03-03
Pau
l
Ba
u
er
Alwa
y
s
h
ash files when buildi
n
g from release
t
arball
commit
|
commitdiff
|
tree
2020-03-02
Pa
u
l Baue
r
Add Cu
d
a build to gitlab
C
I
commit
|
commitdiff
|
tree
2020-03-02
Pau
l
Bauer
Revert "Re
m
ove frozen atoms from
VCM gr
o
ups"
commit
|
commitdiff
|
tree
2020-03-02
P
a
u
l
Bauer
Remove frozen a
t
oms
from VCM groups
commit
|
commitdiff
|
tree
2020-02-28
Pau
l
Bauer
Mer
g
e branch
r
e
l
ease-2019 into relea
s
e
-2020
commit
|
commitdiff
|
tree
2020-02-28
Paul Bauer
Define all
CPU NB kernels
commit
|
commitdiff
|
tree
2020-02-28
Paul Ba
u
er
Version 20
1
9
.
6
commit
|
commitdiff
|
tree
2020-02-25
Pa
u
l Baue
r
Avoid integer over
f
low in
d
ispersion correction
commit
|
commitdiff
|
tree
2020-02-25
Paul Bauer
Revert "Expose vs
i
te counti
n
g"
commit
|
commitdiff
|
tree
2020-02-24
Paul Ba
u
er
Fix clang-6 image template
commit
|
commitdiff
|
tree
2020-02-21
Paul
B
auer
F
i
x
G
itlab doc
b
uild
commit
|
commitdiff
|
tree
2020-02-05
Paul Baue
r
Use mo
r
e MDLogger in preprocess
i
n
g
commit
|
commitdiff
|
tree
2020-01-31
Paul B
a
u
er
Use MDLogger in gro
m
pp
commit
|
commitdiff
|
tree
2020-01-31
Paul Bauer
Start
u
s
ing MD
L
ogger in gmxpreproces
s
commit
|
commitdiff
|
tree
2020-01-29
Paul Ba
u
e
r
Workaround for Gitl
a
b
a
rc
h
ive siz
e
commit
|
commitdiff
|
tree
2020-01-29
Pau
l
Ba
u
e
r
A
d
d replacement
for
s
ymbol table
commit
|
commitdiff
|
tree
2020-01-28
Paul Bauer
Me
r
ge branch ori
g
in/release-2020 in
t
o master
commit
|
commitdiff
|
tree
2020-01-24
Paul Bauer
Add cool quotes
commit
|
commitdiff
|
tree
2020-01-24
Paul Bauer
Use utf-8 for py
t
h
o
n file reading
commit
|
commitdiff
|
tree
2020-01-21
Paul
B
a
uer
Fix document
a
tion error with d
o
x
y
gen >1
.
8
.
1
6
commit
|
commitdiff
|
tree
2020-01-17
Paul Bauer
Actually fi
x
Gitlab doc bui
l
d
commit
|
commitdiff
|
tree
2020-01-17
Paul Bauer
Fix bad link in
developer d
o
cs
commit
|
commitdiff
|
tree
2020-01-16
Paul Bauer
Fix
n
i
ghtly b
u
i
l
d
f
ailur
e
on Gitlab
commit
|
commitdiff
|
tree
2020-01-15
Pa
u
l Bauer
U
p
dat
e
nonst
d
:
:option
a
l
commit
|
commitdiff
|
tree
2020-01-15
Paul
B
auer
Allow ac
c
ess to
o
ptional
o
utside libgromacs
commit
|
commitdiff
|
tree
2020-01-14
Pa
u
l Bauer
Us
e
utf-8 for
p
ython fi
l
e rea
d
ing
commit
|
commitdiff
|
tree
2020-01-13
P
a
ul Bauer
Revert "Ex
c
l
ud
e
build-s
y
stem fil
e
s fr
o
m CPack"
commit
|
commitdiff
|
tree
2020-01-10
P
au
l
Ba
u
er
Fix compile
r
warnings on w
i
n
dows
commit
|
commitdiff
|
tree
2020-01-07
Paul Baue
r
Me
r
ge branc
h
origin/release-
2
020 into
m
aste
r
commit
|
commitdiff
|
tree
2020-01-07
Pa
u
l Bau
e
r
Merge commit d3
0
f2cb6 from release-2
0
20 into mas
t
er
commit
|
commitdiff
|
tree
2020-01-01
Paul Bauer
P
r
epare for 2020
.
1
commit
|
commitdiff
|
tree
2020-01-01
Paul Bauer
GR
O
MACS 2020
rele
a
se
commit
|
commitdiff
|
tree
2020-01-01
Paul Bauer
Re
v
ert "GR
O
M
A
CS 20
2
0 re
l
ease"
commit
|
commitdiff
|
tree
2020-01-01
Paul Bauer
GROMACS 2020
r
elease
commit
|
commitdiff
|
tree
2019-12-30
Pau
l
Bauer
Fix build erro
r
with
w
rong name from cached cmake file
commit
|
commitdiff
|
tree
2019-12-28
Paul Ba
u
er
Change relen
g
to give in
f
o
rmation about Gitlab
commit
|
commitdiff
|
tree
2019-12-28
Paul Bauer
Extend information
for GPU update
commit
|
commitdiff
|
tree
2019-12-28
Paul B
a
uer
Exclude
build-system files
f
rom
C
Pa
c
k
commit
|
commitdiff
|
tree
2019-12-28
Paul Bau
e
r
Remove membed from f
e
a
t
ure
s
commit
|
commitdiff
|
tree
2019-12-28
Paul Bauer
Deprecate support for
Armv7
commit
|
commitdiff
|
tree
2019-12-27
Paul Bauer
Add copyr
i
ght check and improve cache usage
commit
|
commitdiff
|
tree
2019-12-27
P
aul Bauer
Merge
o
rigin/
r
e
l
ea
s
e-2019 into rele
a
s
e
-2020
commit
|
commitdiff
|
tree
2019-12-23
P
a
ul Ba
u
er
Add files for Gi
t
lab C
I
commit
|
commitdiff
|
tree
2019-12-23
Paul B
a
uer
P
r
epare for GROMACS 201
9
.
6
commit
|
commitdiff
|
tree
2019-12-23
Pa
u
l Baue
r
GROMACS versi
o
n 2019
.
5
commit
|
commitdiff
|
tree
2019-12-23
Paul Bauer
R
evert "Fix
that tests intended for multip
l
e ranks
.
.
.
commit
|
commitdiff
|
tree
2019-12-20
P
a
ul Bauer
F
urthe
r
updates to
Git
l
a
b CI
commit
|
commitdiff
|
tree
2019-12-20
Paul Bauer
F
ix wrong hea
d
er in r
e
lease notes
commit
|
commitdiff
|
tree
2019-12-20
Paul Bauer
GROMACS 2020 release ca
n
di
d
a
te
commit
|
commitdiff
|
tree
2019-12-19
Paul Bauer
F
i
x
regressiontests failin
g
wi
t
h ctest
commit
|
commitdiff
|
tree
2019-12-18
Paul Bauer
Add ability to set OMP
and
tMPI thread for ctest
commit
|
commitdiff
|
tree
2019-12-18
Paul Bauer
Ignore build
h
ost for CI b
u
ilds
commit
|
commitdiff
|
tree
2019-12-18
P
a
u
l
Baue
r
Add ability to set OM
P
a
n
d tMPI thread for
c
test
commit
|
commitdiff
|
tree
2019-12-17
Paul Bauer
Test
parallel mpi only with openmp
commit
|
commitdiff
|
tree
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