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cmake: add missing header to legacy api
2019-10-01
Christoph
Junghans
cmake: add missing header to legac
y
api
commit
|
commitdiff
|
tree
2019-09-22
Chr
i
stoph Junghan
s
w
o
rk
a
roun
d
for rhel bug #174
9
46
3
, cmake
b
u
g
#18349
commit
|
commitdiff
|
tree
2019-09-13
Christoph Junghans
cma
k
e:
a
dd option to install leg
a
cy headers
commit
|
commitdiff
|
tree
2017-09-05
Christoph Ju
n
ghans
Supported q
u
i
et t
r
a
jectory-handling I/O
commit
|
commitdiff
|
tree
2016-11-10
Chri
s
toph Junghans
c
make
:
fix
b
uil
d
with GMX_EXTERNAL_TNG=ON
commit
|
commitdiff
|
tree
2015-12-12
Christoph
J
un
g
hans
AdResS: lost perform
a
nce tweak
commit
|
commitdiff
|
tree
2014-11-26
Christoph Junghans
Merge release-5-0 into master
commit
|
commitdiff
|
tree
2014-11-21
C
h
ristoph Junghan
s
Added
.
travi
s
.
yml
commit
|
commitdiff
|
tree
2014-09-04
Ch
r
istoph Junghans
cmake: missin
g
quote
commit
|
commitdiff
|
tree
2014-03-11
Christoph Junghans
In
s
t
all enums
.
h
commit
|
commitdiff
|
tree
2014-03-01
Christ
o
ph
J
unghans
switch ld_seed from int to gmx_int64_t
commit
|
commitdiff
|
tree
2014-02-20
Chr
i
stoph J
u
n
g
h
a
ns
add
e
d
g
mx_is_{si
n
gle,double
}
_p
r
ecision
commit
|
commitdiff
|
tree
2014-02-03
Chr
i
stoph
J
unghan
s
cmake eats slashe
s
commit
|
commitdiff
|
tree
2014-01-28
C
hristoph Jungha
n
s
cmake
:
added FFTW_U
R
L to allow e
a
sy of
f
line build
commit
|
commitdiff
|
tree
2013-12-29
Chr
i
stoph Junghans
c
m
ak
e
: m
a
k
e G
M
X_BUI
L
D
_
OWN_FFTW
w
o
rk without fortran
.
.
.
commit
|
commitdiff
|
tree
2013-12-20
Christoph Junghans
re-add C
a
rsten & me to the copyr
i
te
commit
|
commitdiff
|
tree
2013-10-03
Chr
i
stop
h
Junghans
F
i
x paralle
l
build for GMX_BUILD_OWN_FFTW
commit
|
commitdiff
|
tree
2013-09-26
Ch
r
istoph
J
un
g
h
a
n
s
Dro
p
m
d5sum check for GMX_BUIL
D
_
O
W
N_F
F
TW
commit
|
commitdiff
|
tree
2013-07-30
C
h
rist
o
ph Junghans
cmake: Improve som
e
error me
s
sages
commit
|
commitdiff
|
tree
2013-07-06
Ch
r
is
t
oph Junghans
more pkg-config f
i
xes
commit
|
commitdiff
|
tree
2013-07-04
Ch
r
istoph
Junghans
Fixed some inconsisten
c
ies in pk
g
-conf
i
g
files
commit
|
commitdiff
|
tree
2013-05-15
Christop
h
Jungha
n
s
Merg
e
"fixed in
c
orrec
t
scaling
of cos-acceleration
.
.
.
commit
|
commitdiff
|
tree
2013-05-10
Christoph Junghans
improv
e
build with OpenMM, still no
t
1
0
0% fixed
commit
|
commitdiff
|
tree
2013-04-29
Christo
p
h Jungha
n
s
M
erge "Fix another bug in select
i
on subexp
r
e
s
s
io
n
handling
.
"
commit
|
commitdiff
|
tree
2013-04-29
Chri
s
toph Jungh
a
ns
Merge "Fix bug in s
e
lection subexpression handlin
g
.
"
commit
|
commitdiff
|
tree
2013-04-26
C
h
ris
t
oph Ju
n
ghans
Merge "v-r
e
scale work
s
w
i
t
h
tau-t >= 0" into rel
e
ase-
4
-6
commit
|
commitdiff
|
tree
2013-04-16
Christoph Junghans
Use git
s
n
ap
s
hots of the tests if are on git
commit
|
commitdiff
|
tree
2013-03-29
Christo
p
h Junghans
Merge "
A
dded in
s
tall guide section for BLAS/LAPACK
.
.
.
commit
|
commitdiff
|
tree
2013-03-19
Ch
r
is
t
oph Junghans
M
e
r
ge "
E
s
sential dy
n
a
m
ics: fixed lege
n
d in ED
.
xvg
.
.
.
commit
|
commitdiff
|
tree
2013-03-02
Christoph Jungha
n
s
Merge "Uncrust
i
fied
c
o
d
e change
s
since 4
.
6"
into releas
e
-4-6
commit
|
commitdiff
|
tree
2013-02-26
Christ
o
p
h
Junghans
Merge "Merge release-4-6
i
n
to maste
r
"
commit
|
commitdiff
|
tree
2013-02-20
Christ
o
ph Junghans
Bump
share
d
object version to 8
commit
|
commitdiff
|
tree
2013-02-12
Christop
h
J
u
n
ghans
Updated FindGSL
.
cma
k
e
t
o version written by me
.
commit
|
commitdiff
|
tree
2013-02-05
Chri
s
t
oph J
u
nghans
Merge "Documente
d
wh
a
t
G
MX_CPU_ACCEL
E
R
A
T
I
ON really
.
.
.
commit
|
commitdiff
|
tree
2013-02-05
C
h
ristoph Junghans
improve
s
etup of
m
ultiple tf tables
commit
|
commitdiff
|
tree
2013-02-02
Christoph Jun
g
hans
Fixed fl
o
p coun
t
ing
f
or generic c
g
/ad
r
ess
k
ernels
commit
|
commitdiff
|
tree
2013-02-02
Christoph Junghans
cmake: fix
e
d ty
p
o in templat
e
CMake
L
ists
.
txt
commit
|
commitdiff
|
tree
2013-01-25
C
hristoph Junghans
f
ixed copyright of
a
d
r
ess
k
erne
l
commit
|
commitdiff
|
tree
2013-01-25
Christo
p
h
J
unghans
M
er
g
e "Moved a f
e
w com
m
en
t
s back into po
s
itio
n
"
i
nto
.
.
.
commit
|
commitdiff
|
tree
2013-01-21
Christoph Jun
g
hans
Merg
e
"Set version in
f
o fo
r
4
.
6
.
x rel
e
ase series" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-19
Chris
t
oph Junghans
Re-licen
c
ed F
i
ndGROMACS
.
c
m
ake (was writte
n
by me)
commit
|
commitdiff
|
tree
2013-01-17
Christoph Junghans
Mer
g
e "A
d
ded not
e
about make_edi
a
nd floo
d
ing in ED
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Ch
r
is
t
oph
J
u
nghans
Merge "u
s
e
t
he c
o
mpiler version provided by CMake
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Christoph Jungha
n
s
M
erge "note the reason for auto-disabling GPU support
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Ch
r
istoph J
u
n
g
ha
n
s
clean up
f
ort
r
an name mangli
n
g
commit
|
commitdiff
|
tree
2013-01-16
Christoph
Ju
n
ghans
Remov
e
debug st
a
tment
commit
|
commitdiff
|
tree
2013-01-15
Christoph Jungh
a
n
s
Mer
g
e
"
A
d
ded fatal
error for constra
i
nts + L-BFGS minimizer
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
Christoph Ju
n
ghans
Merge "disab
l
e
OpenMP with
a
l
l OS X gcc 4
.
2-ba
s
ed comp
i
l
e
rs
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
C
h
rist
o
ph Jungha
n
s
Merge "Remove unused bfunc
.
h
.
"
i
nto
r
elea
s
e-4-6
commit
|
commitdiff
|
tree
2013-01-13
Ch
r
istoph Jungha
n
s
Merge "Clarified
some comments & war
n
ings
a
bout thre
a
d
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Christoph Junghan
s
Mer
g
e "Man
a
ge BlueGen
e
/Q configuration
"
into
release-4-6
commit
|
commitdiff
|
tree
2013-01-13
C
h
ristoph Junghans
Merge "R
e
-o
r
gan
i
ze BlueGe
n
e
too
l
c
h
a
in files
"
into release-4-6
commit
|
commitdiff
|
tree
2013-01-13
C
hr
i
stoph J
u
ng
h
ans
Merge "C
h
anged def
a
u
lts for buildin
g
shar
e
d libra
r
ies
.
.
.
commit
|
commitdiff
|
tree
2013-01-12
Christoph Junghans
Merge "Ad
d
ed missing export" into release-4-6
commit
|
commitdiff
|
tree
2013-01-11
Christoph J
u
nghans
M
e
rge "console and
l
og o
u
tput i
m
p
r
ovem
e
n
ts"
into rele
a
se-4-6
commit
|
commitdiff
|
tree
2013-01-11
Christoph Jun
g
ha
n
s
Merge "Fix CUDA
b
eing quie
t
a
nd mark al
l
CUDA
_
* as
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
Ch
r
i
stoph
J
unghans
Merge "R
e
move incorrect a
s
s
ert added b
y
05f9a740" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Chris
t
o
ph
J
unghans
cmake:
remo
v
e d
o
ubl
e
-negative quotes
logic
commit
|
commitdiff
|
tree
2013-01-07
Chr
i
stoph Junghans
Merg
e
"M
a
ke
g
m
x
_cpui
d
.
h self-standing
.
"
i
nto rele
a
se-4
-
6
commit
|
commitdiff
|
tree
2013-01-03
C
hri
s
toph Junghans
a
d
d an option to not b
u
i
ld the template
commit
|
commitdiff
|
tree
2013-01-03
Chris
t
oph
J
u
nghans
Add missing
d
e
f
ines
t
o
P
K
G
_CFLAGS
commit
|
commitdiff
|
tree
2013-01-03
Christo
p
h Jungha
n
s
M
e
r
g
e "Remove n
o
n-functiona
l
P
owerPC invsqrt
.
" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
C
hristoph Junghans
cmake:
add opt
i
o
n
to install libmd
a
s libgmxmd
commit
|
commitdiff
|
tree
2012-12-22
Christop
h
Jun
g
hans
cmake: m
a
r
k FFTW
_
HAVE
_
{SI
M
D,AV
X
} a
s
adv
a
nced
commit
|
commitdiff
|
tree
2012-12-21
Christop
h
Junghans
Mer
g
e "Re
m
o
ve
n
on-fu
n
ctional compil
e
r
override for
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Christ
o
ph
J
u
nghans
Merge "Fixed AV
X
2
56 double-precis
i
on kernels for
g
c
c
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Ch
r
isto
p
h Jun
g
han
s
cm
a
ke:
adde
d
o
ption to disabl
e
quotes
commit
|
commitdiff
|
tree
2012-12-18
Christop
h
Jungh
a
ns
Me
r
ge "Fixes redmine issu
e
#1071" into release-4-6
commit
|
commitdiff
|
tree
2012-12-17
C
hristoph Jun
g
hans
Rem
o
ve
t
he rest of
t
he fortran/
p
ower6
accelerati
o
n
commit
|
commitdiff
|
tree
2012-12-13
Christoph Jungh
a
ns
Me
r
ge
"Extended genbox to insert molecule
s
a
t
giv
e
n
.
.
.
commit
|
commitdiff
|
tree
2012-12-13
Chr
i
stoph Junghans
Always build temp
l
at
e
program
commit
|
commitdiff
|
tree
2012-12-11
Christoph Jungh
a
n
s
Merge "Fix com
p
ilation with PGI" into
r
e
lease-4-
6
commit
|
commitdiff
|
tree
2012-12-10
Chris
t
oph
Junghans
Merge
"
force C++ li
n
king of th
e
g
p
u_utils"
i
nto release-
4
-6
commit
|
commitdiff
|
tree
2012-12-05
Chr
i
s
toph Jun
g
hans
f
i
xed obsolete
g
mx_fatal in
O
penMM bui
l
d
commit
|
commitdiff
|
tree
2012-11-29
Chri
s
toph Junghans
Merge "Print e
r
ror if no thread support is available
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Christoph J
u
n
ghan
s
Merge "Fix cpack src ignore rule"
int
o
relea
s
e-
4
-
6
commit
|
commitdiff
|
tree
2012-11-28
Christo
p
h
Jungh
a
n
s
Add o
p
tion to in
t
e
r
nally build FF
T
W if selected
commit
|
commitdiff
|
tree
2012-11-22
Ch
r
istoph Jungha
n
s
impro
v
e FindGR
O
MACS
.
cmake
commit
|
commitdiff
|
tree
2012-11-20
C
h
r
i
stoph Junghans
Merge "Fix
g
_msd -
m
ol"
into rele
a
se-4-6
commit
|
commitdiff
|
tree
2012-11-20
Ch
r
istop
h
Junghans
Merge "Fixes bug
in
g
_hbond that makes it produce f
a
tal
.
.
.
commit
|
commitdiff
|
tree
2012-11-16
Christop
h
Junghans
Remove rest of the
x
ml s
u
pport
commit
|
commitdiff
|
tree
2012-11-15
Christo
p
h Ju
n
g
h
a
n
s
Me
r
ge
"
T
est that
compiling
and link
i
ng of AVX wor
k
s
.
.
.
commit
|
commitdiff
|
tree
2012-11-12
Christ
o
ph Ju
n
ghans
Me
r
ge "Opti
o
n t
o
create symlin
k
s to g_ana
.
"
commit
|
commitdiff
|
tree
2012-11-12
Christop
h
J
u
nghans
Merge
"Alway
s
use rel
a
tive install paths
.
"
commit
|
commitdiff
|
tree
2012-11-08
Christoph Junghans
Merge "auto-s
e
t
nvcc host compiler
w
i
th FindMPI
d
e
tection
.
.
.
commit
|
commitdiff
|
tree
2012-11-08
Ch
r
istoph Jungha
n
s
Merge
"
R
elocated logic of simpl
e
-vs-G
P
U
Ew
a
ld
t
abl
e
.
.
.
commit
|
commitdiff
|
tree
2012-11-07
Ch
r
istoph Junghans
Obey DSO standard
commit
|
commitdiff
|
tree
2012-11-03
C
h
risto
p
h Jun
g
h
ans
Reworked version of cm
a
ke FFTW d
e
tectio
n
commit
|
commitdiff
|
tree
2012-11-01
Chr
i
s
t
oph
Junghans
Actually di
s
a
ble GPU when compilin
g
in double
commit
|
commitdiff
|
tree
2012-10-27
Christo
p
h Junghans
Merge "
F
ix larg
e
file suppo
r
t" into release-
4
-5-patches
commit
|
commitdiff
|
tree
2012-10-26
Chri
s
toph
J
unghans
Merg
e
"enable
G
MX_PREFER_STATIC_LIBS CMak
e
option on
.
.
.
commit
|
commitdiff
|
tree
2012-10-26
Ch
r
istoph Ju
n
ghans
M
erge
"fi
x
fals
e
positive gcc 4
.
7
w
arnin
g
in
l
ibxdrf
.
.
.
commit
|
commitdiff
|
tree
2012-10-10
Christoph
Jungh
a
ns
fixed header for 3rd party apps
commit
|
commitdiff
|
tree
2012-10-02
Christoph Jun
g
hans
Merge "Mer
g
e release-4-6 into
m
ast
e
r"
commit
|
commitdiff
|
tree
2012-09-27
Chri
s
toph Jun
g
hans
M
erge "Fixed an off-by-one
error
i
n at
o
m counting in
.
.
.
commit
|
commitdiff
|
tree
2012-09-25
C
hristoph Junghans
Merge "Fix R
E
M
D
use of gmx_large_
i
nt_t
f
or #
s
teps vari
a
ble
.
.
.
commit
|
commitdiff
|
tree
2012-09-14
Christoph Jungh
a
n
s
Merge "f
i
xed
rece
n
t bug with grompp c
h
e
c
k for
P
-R P
.
.
.
commit
|
commitdiff
|
tree
2012-09-10
Christoph Junghans
upda
t
ed
r
e
ferences
commit
|
commitdiff
|
tree
2012-09-10
Christoph Junghans
Merg
e
"Allow 'atomname' and
'
atomtype' in
s
e
l
ection
s
.
"
commit
|
commitdiff
|
tree
2012-09-07
C
h
risto
p
h Junghans
Mer
g
e
"
F
i
x VMD
plugins on Windows" i
n
to release-4-6
commit
|
commitdiff
|
tree
next