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Update rules for release-2021.
2020-11-22
Chr
i
s
t
op
h
Junghans
cmake: ad
d
trxio
.
h to legacy api inte
r
face
commit
|
commitdiff
|
tree
2020-07-12
Ch
r
i
s
toph Junghans
CMake:
a
dd OpenMP detectio
n
to
e
xpor
t
ed targe
t
commit
|
commitdiff
|
tree
2020-07-11
Ch
r
isto
p
h Junghans
cm
a
ke:
e
xport cxx stan
d
ard
commit
|
commitdiff
|
tree
2020-06-18
Christop
h
Junghans
cmake: export
gmx target
commit
|
commitdiff
|
tree
2020-04-10
Christoph Ju
n
g
h
ans
cmake: fix exported target
commit
|
commitdiff
|
tree
2020-04-08
Christoph Junghans
cma
k
e: add support of OSX in GMX
R
C
.
*
commit
|
commitdiff
|
tree
2020-03-07
Christoph Jun
g
hans
cmake
:
use l
i
bsuffix on gmxapi as
w
ell
commit
|
commitdiff
|
tree
2020-01-15
Chri
s
toph Jungh
a
ns
c
m
ake: install pbc
.
h
for GMX_INSTALL_LEGACY_
A
P
I
commit
|
commitdiff
|
tree
2020-01-13
Ch
r
istoph Junghans
gmxManageMPI
.
cmake: convert MPI FLAGS
t
o
list
s
commit
|
commitdiff
|
tree
2019-12-24
Christoph Jung
h
ans
cmake: fix missing head
e
r
f
o
r
l
e
ga
c
y api
commit
|
commitdiff
|
tree
2019-10-01
C
h
ristoph Junghans
c
make: add missing he
a
d
e
r
to leg
a
cy api
commit
|
commitdiff
|
tree
2019-09-22
Christo
p
h Junghans
workaro
u
nd for rhel bug #1
7
49463, cmake
bug #18349
commit
|
commitdiff
|
tree
2019-09-13
Ch
r
istop
h
Junghans
cmake: add
o
pti
o
n to install legacy h
e
aders
commit
|
commitdiff
|
tree
2019-01-22
C
hristoph
J
unghans
gmxManageLmfit
.
c
m
ake: enforce usage of 7
.
0
commit
|
commitdiff
|
tree
2019-01-04
C
hristoph Junghans
gmxMa
n
ageLmfi
t
.
c
m
ake: e
n
fo
r
ce usag
e
of 7
.
0
commit
|
commitdiff
|
tree
2017-09-05
C
h
ristoph Junghans
S
u
p
porte
d
q
u
iet tra
j
e
ctory
-
hand
l
i
ng I/O
commit
|
commitdiff
|
tree
2016-11-10
C
hristoph Junghans
cmake: fix build w
i
th GMX_EXTERNAL_TNG=ON
commit
|
commitdiff
|
tree
2015-12-12
Chr
i
stoph Jungh
a
ns
AdR
e
sS: lost per
f
or
m
ance tweak
commit
|
commitdiff
|
tree
2014-11-26
Christoph Jungha
n
s
M
e
rge
r
elease
-
5-0 into m
a
ster
commit
|
commitdiff
|
tree
2014-11-21
Christoph Junghans
A
d
ded
.
travis
.
ym
l
commit
|
commitdiff
|
tree
2014-09-04
C
hristoph Junghans
cmake: missing quote
commit
|
commitdiff
|
tree
2014-03-11
Chris
t
oph Junghans
Ins
t
a
ll enums
.
h
commit
|
commitdiff
|
tree
2014-03-01
Christoph Junghans
switch ld_seed from int to
gmx_int6
4
_t
commit
|
commitdiff
|
tree
2014-02-20
Chr
i
stop
h
Jungh
a
n
s
add
e
d g
m
x_is_{single,double}_pr
e
c
is
i
on
commit
|
commitdiff
|
tree
2014-02-03
Christoph Junghans
cmak
e
eats slashe
s
commit
|
commitdiff
|
tree
2014-01-28
Christ
o
ph
J
unghans
cmake: adde
d
FFTW_URL to
allow e
a
sy offline b
u
ild
commit
|
commitdiff
|
tree
2013-12-29
C
hristop
h
Junghans
c
m
ake: mak
e
GMX_BUILD
_
OWN_
F
F
TW
wo
r
k
w
itho
u
t fortran
.
.
.
commit
|
commitdiff
|
tree
2013-12-20
C
h
ristoph
J
unghans
r
e
-
add Ca
r
s
ten &
m
e
t
o t
h
e copyrite
commit
|
commitdiff
|
tree
2013-10-03
Christoph J
u
n
ghans
Fix parallel build for GMX
_
BUI
L
D
_
OWN_FFTW
commit
|
commitdiff
|
tree
2013-09-26
Christo
p
h Junghans
Drop
m
d5su
m
check
for GMX_BUILD
_
OWN
_
FFTW
commit
|
commitdiff
|
tree
2013-07-30
Chri
s
toph Junghans
cmake:
I
m
p
rove some err
o
r mes
s
ages
commit
|
commitdiff
|
tree
2013-07-06
Christoph Junghans
more pkg-config f
i
xes
commit
|
commitdiff
|
tree
2013-07-04
Christ
o
ph Junghans
Fixed som
e
inconsi
s
tenc
i
es in pkg
-
confi
g
fi
l
es
commit
|
commitdiff
|
tree
2013-05-15
Ch
r
istoph
J
ungha
n
s
M
e
rge "
f
ixed
inco
r
rect sca
l
in
g
of cos-acceleration
.
.
.
commit
|
commitdiff
|
tree
2013-05-10
Christoph Junghans
impr
o
ve build wi
t
h
O
penMM, still not 100
%
f
i
xed
commit
|
commitdiff
|
tree
2013-04-29
Christ
o
ph Ju
n
ghans
Merge "Fi
x
another bug in selection subexp
r
ession hand
l
ing
.
"
commit
|
commitdiff
|
tree
2013-04-29
Christoph Junghans
Me
r
ge "Fix bug in selection subexpression h
a
n
dling
.
"
commit
|
commitdiff
|
tree
2013-04-26
Chri
s
toph Ju
n
ghan
s
Me
r
ge "v-rescale works wi
t
h tau-t >= 0" into re
l
ease-4-6
commit
|
commitdiff
|
tree
2013-04-16
Christoph Junghans
Use g
i
t snapshots o
f
t
he t
e
sts
if are o
n
git
commit
|
commitdiff
|
tree
2013-03-29
Chri
s
top
h
Junghan
s
M
erge "Add
e
d instal
l
guide section for BL
A
S/L
A
PACK
.
.
.
commit
|
commitdiff
|
tree
2013-03-19
Christoph
J
u
n
gha
n
s
M
e
rge "Esse
n
tial
d
yn
a
m
i
c
s: fixed legend in
E
D
.
xvg
.
.
.
commit
|
commitdiff
|
tree
2013-03-02
Christoph Junghans
Merge "Uncrus
t
ifi
e
d
code
c
h
a
ng
e
s s
i
nce 4
.
6" into release-4-6
commit
|
commitdiff
|
tree
2013-02-26
C
h
ristoph Junghans
Merge "Merge release-4-6
in
t
o master"
commit
|
commitdiff
|
tree
2013-02-20
Christoph Junghans
Bump shared object versi
o
n
to 8
commit
|
commitdiff
|
tree
2013-02-12
Christoph Junghans
U
p
dated
F
indGS
L
.
cmak
e
to
v
ersion written by
m
e
.
commit
|
commitdiff
|
tree
2013-02-05
C
h
r
istoph Junghans
Merg
e
"Documente
d
what GMX_C
P
U_ACCELERAT
I
O
N really
.
.
.
commit
|
commitdiff
|
tree
2013-02-05
C
h
rist
o
ph Jun
g
hans
impro
v
e setup
of m
u
ltiple
tf tables
commit
|
commitdiff
|
tree
2013-02-02
Christoph Jung
h
ans
Fixe
d
f
lop count
i
ng for gene
r
ic cg
/
adress kernel
s
commit
|
commitdiff
|
tree
2013-02-02
Christoph Jungh
a
ns
cmake: f
i
xe
d
typo in te
m
pla
t
e CMakeLi
s
ts
.
tx
t
commit
|
commitdiff
|
tree
2013-01-25
Chri
s
toph Jungh
a
n
s
fi
x
ed copy
r
ig
h
t of
a
dress k
e
r
n
e
l
commit
|
commitdiff
|
tree
2013-01-25
Christ
o
ph J
u
nghans
Merge "Moved
a
f
ew comments back into
p
osition" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-21
C
hr
i
sto
p
h Junghans
Merge "Set ve
r
sio
n
info for
4
.
6
.
x release ser
i
es
"
into
.
.
.
commit
|
commitdiff
|
tree
2013-01-19
Christoph Jun
g
hans
Re-licenced
FindGROMACS
.
cmake (wa
s
written by me)
commit
|
commitdiff
|
tree
2013-01-17
Christoph Junghans
Merge
"Added note about make_ed
i
and
flooding in ED
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
C
hristoph Jun
g
hans
Merge "use
t
he compiler ver
s
ion pro
v
ided by CMake
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
C
h
risto
p
h
Junghans
M
e
r
ge
"
n
ote the r
e
ason for auto-disab
l
i
n
g
GPU support
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Chri
s
toph Jungh
a
ns
cle
a
n
u
p
f
o
r
tran name mangli
n
g
commit
|
commitdiff
|
tree
2013-01-16
C
hristop
h
Junghan
s
Remove de
b
ug statm
e
n
t
commit
|
commitdiff
|
tree
2013-01-15
Christoph Junghans
Merge "Added fatal
err
o
r fo
r
constrai
n
ts + L-BFGS minimi
z
er
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
Chr
i
stoph
J
u
nghan
s
Merge "disabl
e
OpenMP with all OS X
gcc 4
.
2-based
co
m
pile
r
s
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Christ
o
ph Junghans
Merge "Remove u
n
used bfu
n
c
.
h
.
" into
release-4-6
commit
|
commitdiff
|
tree
2013-01-13
C
h
risto
p
h Junghans
Merge "C
l
ar
i
f
ied some co
m
ments & warnings about
t
hread
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Christoph Junghans
Me
r
ge "Manage BlueGene/
Q
confi
g
uration" into release-4-
6
commit
|
commitdiff
|
tree
2013-01-13
Chri
s
toph Junghans
M
e
r
g
e "
R
e-org
a
nize BlueGene toolchain files" into
r
elease-4-6
commit
|
commitdiff
|
tree
2013-01-13
Christoph
Ju
n
ghans
M
e
rge
"
C
h
anged default
s
f
or b
u
il
d
ing shared libra
r
ies
.
.
.
commit
|
commitdiff
|
tree
2013-01-12
Christo
p
h
J
unghans
Merge
"
A
dded m
i
ss
i
ng export" into release-4-6
commit
|
commitdiff
|
tree
2013-01-11
Christoph Junghans
Merge "console a
n
d log output improve
m
ent
s
" int
o
release-4
-
6
commit
|
commitdiff
|
tree
2013-01-11
C
h
ristoph Jungh
a
ns
Merge "Fix C
U
D
A
being quiet
and mark all
C
U
D
A_* as
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
Christoph Junghans
Merge "Remove incorrect assert
a
d
ded by 05f9a740" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
C
h
ristoph
J
unghans
cmake: r
e
m
o
ve d
o
uble-negative
q
u
otes log
i
c
commit
|
commitdiff
|
tree
2013-01-07
Christoph
J
u
n
g
h
ans
Mer
g
e "M
a
ke g
m
x_cpu
i
d
.
h self-sta
n
ding
.
"
i
nto r
e
lease-4-6
commit
|
commitdiff
|
tree
2013-01-03
Christoph Junghans
add an o
p
tion to not buil
d
the t
e
mplate
commit
|
commitdiff
|
tree
2013-01-03
Christoph
J
unghans
Add mi
s
sing d
e
fines to P
K
G_CFLAGS
commit
|
commitdiff
|
tree
2013-01-03
C
hristop
h
Junghans
Merge "Re
m
o
ve non-f
u
nctional PowerPC i
n
vsqr
t
.
" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Christoph
Junghans
cmak
e
: add
option to i
n
stall li
b
m
d
as libgmx
m
d
commit
|
commitdiff
|
tree
2012-12-22
Christop
h
Jung
h
a
ns
cmake:
m
a
rk FFTW_H
A
V
E
_{SIMD,AVX
}
a
s
a
dvanced
commit
|
commitdiff
|
tree
2012-12-21
C
hr
i
stoph
J
unghans
Me
r
ge "Remove no
n
-functi
o
nal compiler over
r
i
de for
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Christ
o
ph Junghans
Merge "Fi
x
ed AVX256
d
ouble-precision kernels fo
r
gcc
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
C
h
r
ist
o
ph Junghan
s
cmak
e
: ad
d
ed
option to disable
quotes
commit
|
commitdiff
|
tree
2012-12-18
Chr
i
s
t
oph J
u
nghans
Me
r
g
e "Fixes
redmine issue #1
0
71
"
into release-4-
6
commit
|
commitdiff
|
tree
2012-12-17
C
h
r
isto
p
h
J
ungh
a
ns
R
emove the rest of the
f
ortran/power6 accele
r
ation
commit
|
commitdiff
|
tree
2012-12-13
C
h
ristoph Ju
n
ghans
Merge
"
E
xtende
d
g
en
b
ox to ins
e
rt molec
u
les at given
.
.
.
commit
|
commitdiff
|
tree
2012-12-13
Christoph Junghan
s
Always build template
p
r
og
r
am
commit
|
commitdiff
|
tree
2012-12-11
Chr
i
st
o
ph
J
unghans
Merge "Fix
c
ompi
l
ation with PGI" into
r
elease-4-6
commit
|
commitdiff
|
tree
2012-12-10
Ch
r
istoph Junghans
Merge
"
f
orce C++ linking of
t
he gpu_
u
tils
"
into release-4-6
commit
|
commitdiff
|
tree
2012-12-05
C
h
r
i
st
o
p
h
Junghans
fixed obsolete gmx_fat
a
l i
n
OpenMM build
commit
|
commitdiff
|
tree
2012-11-29
Christo
p
h Junghans
Merge "P
r
int err
o
r if no t
h
read support is available
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Chris
t
o
p
h J
u
nghans
Merge "Fix
c
pack src
i
gnore rule" into
release-4-6
commit
|
commitdiff
|
tree
2012-11-28
Chr
i
st
o
p
h Junghans
Add option to internally build FFTW if s
e
le
c
ted
commit
|
commitdiff
|
tree
2012-11-22
Christoph J
u
nghans
improve FindGROMACS
.
c
m
ake
commit
|
commitdiff
|
tree
2012-11-20
Christoph Junghans
Merge
"
Fix g_msd -mol"
i
nto release-4
-
6
commit
|
commitdiff
|
tree
2012-11-20
Ch
r
istoph
Ju
n
gha
n
s
Me
r
ge
"
F
i
xes bug in g_hbond that makes
it produce fat
a
l
.
.
.
commit
|
commitdiff
|
tree
2012-11-16
C
h
r
ist
o
p
h Junghans
Remove rest
o
f the xml support
commit
|
commitdiff
|
tree
2012-11-15
Christoph Jungha
n
s
Merge "Test
t
h
at c
o
mpiling and
l
inking of
A
VX works
.
.
.
commit
|
commitdiff
|
tree
2012-11-12
Christoph Junghans
Merge "Option to create symlink
s
to g_ana
.
"
commit
|
commitdiff
|
tree
2012-11-12
Christoph
Junghan
s
Merge "Always
u
se relative
i
n
sta
l
l paths
.
"
commit
|
commitdiff
|
tree
2012-11-08
Christoph Jungh
a
ns
Merge "auto-se
t
nvcc host
c
ompi
l
er with Find
M
PI detection
.
.
.
commit
|
commitdiff
|
tree
2012-11-08
Christoph Jungh
a
ns
Merge "R
e
l
ocated logic o
f
simple-vs-GPU E
w
a
l
d table
.
.
.
commit
|
commitdiff
|
tree
2012-11-07
Christop
h
Jun
g
hans
O
bey DS
O
sta
n
dard
commit
|
commitdiff
|
tree
2012-11-03
C
h
ristoph Junghans
Rework
e
d ve
r
sion
o
f cmake FFTW detection
commit
|
commitdiff
|
tree
next