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gmxManageLmfit.cmake: enforce usage of 7.0
2019-01-22
Chri
s
to
p
h Junghans
gmxManageLmfit
.
cm
a
ke: e
n
fo
r
ce usa
g
e of
7
.
0
commit
|
commitdiff
|
tree
2017-09-05
Christoph Ju
n
ghans
S
u
pported quiet trajecto
r
y
-
handling I/O
commit
|
commitdiff
|
tree
2016-11-10
Chris
t
oph Jun
g
hans
cmake: f
i
x build wit
h
GMX_
E
XTERN
A
L_TNG
=
ON
commit
|
commitdiff
|
tree
2015-12-12
Ch
r
istoph
J
unghans
AdResS: lo
s
t
perfor
m
ance t
w
eak
commit
|
commitdiff
|
tree
2014-11-26
C
h
ristoph Junghans
Merge
release-5-0 i
n
to mas
t
er
commit
|
commitdiff
|
tree
2014-11-21
C
h
ristoph Jun
g
han
s
Ad
d
ed
.
travis
.
y
ml
commit
|
commitdiff
|
tree
2014-09-04
Chris
t
oph
J
un
g
hans
c
make: missing
q
uote
commit
|
commitdiff
|
tree
2014-03-11
Christoph Junghans
Install
enums
.
h
commit
|
commitdiff
|
tree
2014-03-01
Chr
i
stoph Jung
h
ans
switch ld_see
d
f
r
om in
t
t
o gmx_int64_t
commit
|
commitdiff
|
tree
2014-02-20
Christo
p
h
Junghans
added gm
x
_
i
s_{single,double}_precision
commit
|
commitdiff
|
tree
2014-02-03
Christoph
Junghans
cmake eats slashe
s
commit
|
commitdiff
|
tree
2014-01-28
Christ
o
p
h
Junghans
cmake:
adde
d
FF
T
W
_URL
to allow easy offline build
commit
|
commitdiff
|
tree
2013-12-29
C
h
ristoph Junghans
cm
a
ke: make GMX_BUILD_OWN
_
FFTW work without fortran
.
.
.
commit
|
commitdiff
|
tree
2013-12-20
C
hrist
o
ph Junghans
re-add Carste
n
& me to
t
he copyrite
commit
|
commitdiff
|
tree
2013-10-03
Christoph Jungh
a
n
s
Fix parallel bui
l
d for GMX_
B
UILD_OWN_FF
T
W
commit
|
commitdiff
|
tree
2013-09-26
C
h
ristoph Junghans
Drop md5sum c
h
eck for G
M
X
_
BUILD_OWN_FFTW
commit
|
commitdiff
|
tree
2013-07-30
Christo
p
h
J
unghans
c
m
a
ke: Im
p
r
o
ve some e
r
r
o
r
messages
commit
|
commitdiff
|
tree
2013-07-06
Christoph Junghans
more pkg-config fixes
commit
|
commitdiff
|
tree
2013-07-04
Christoph J
u
nghans
Fixed some incons
i
ste
n
c
ies in pk
g
-config
fil
e
s
commit
|
commitdiff
|
tree
2013-05-15
Christoph Junghans
Merge "fixed incorr
e
ct scal
i
n
g
of
cos-acc
e
leration
.
.
.
commit
|
commitdiff
|
tree
2013-05-10
Chris
t
op
h
Junghans
impr
o
ve build with OpenMM, still not 100% fixed
commit
|
commitdiff
|
tree
2013-04-29
Christoph Junghans
M
e
r
g
e "Fix another bug in
s
election subexpression handl
i
ng
.
"
commit
|
commitdiff
|
tree
2013-04-29
Christo
p
h Junghans
Merge
"
F
ix
bug in sele
c
tion subexpress
i
o
n h
a
ndl
i
n
g
.
"
commit
|
commitdiff
|
tree
2013-04-26
C
hristoph J
u
ngh
a
ns
M
e
r
ge "v-rescale wo
r
k
s wi
t
h tau-t >=
0" into relea
s
e-
4
-6
commit
|
commitdiff
|
tree
2013-04-16
Christo
p
h
Junghans
Use
git snaps
h
ots of t
h
e tests
i
f ar
e
on git
commit
|
commitdiff
|
tree
2013-03-29
Chr
i
stoph
Jungha
n
s
Merge
"
Added install guide sec
t
ion for BLAS/LAPACK
.
.
.
commit
|
commitdiff
|
tree
2013-03-19
Christoph Junghans
Merge "Essential dynamics:
f
ixed
l
egend in ED
.
xvg
.
.
.
commit
|
commitdiff
|
tree
2013-03-02
Christ
o
p
h
J
u
nghans
M
erge "Unc
r
ustified
code changes since 4
.
6
" into rel
e
ase-4-6
commit
|
commitdiff
|
tree
2013-02-26
Christoph Jung
h
ans
M
e
r
g
e
"Merge relea
s
e-4-6 into ma
s
ter"
commit
|
commitdiff
|
tree
2013-02-20
Chr
i
st
o
ph Junghans
B
u
m
p
shared
o
b
j
ect versio
n
to 8
commit
|
commitdiff
|
tree
2013-02-12
Christoph Junghans
Updated
F
ind
G
SL
.
c
m
a
k
e to version written by me
.
commit
|
commitdiff
|
tree
2013-02-05
C
hristoph Ju
n
ghans
M
erge "Documented wha
t
GMX_CPU
_
A
C
CELERATIO
N
really
.
.
.
commit
|
commitdiff
|
tree
2013-02-05
Ch
r
istoph Jungha
n
s
im
p
rove se
t
up of multiple t
f
tables
commit
|
commitdiff
|
tree
2013-02-02
Chr
i
stop
h
Junghans
F
i
xed flop cou
n
ting f
o
r
g
eneric
c
g/adress
kernels
commit
|
commitdiff
|
tree
2013-02-02
Christ
o
ph Jun
g
h
a
n
s
cm
a
ke:
fixed typo i
n
template C
M
akeLists
.
t
xt
commit
|
commitdiff
|
tree
2013-01-25
Ch
r
istoph Junghans
f
ixed copyri
g
ht of adress k
e
r
n
el
commit
|
commitdiff
|
tree
2013-01-25
Christoph Junghans
M
e
rge "Moved a
f
e
w comments back into pos
i
tion"
into
.
.
.
commit
|
commitdiff
|
tree
2013-01-21
Christoph
Junghans
Me
r
ge "Set versio
n
i
nfo
for 4
.
6
.
x re
l
ease serie
s
" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-19
Christoph Junghans
Re-licenced FindGROMACS
.
cmake (was writte
n
b
y
me)
commit
|
commitdiff
|
tree
2013-01-17
Christoph J
u
ngh
a
n
s
Merge "Added not
e
about make_ed
i
and flooding in ED
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Christoph J
u
nghans
Merge "use the compiler versi
o
n prov
i
ded by CMake
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Christoph Junghans
Merge "note the
r
eason fo
r
auto-disabling GPU suppor
t
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Christoph Junghans
cle
a
n up for
t
ran nam
e
m
a
n
gl
i
ng
commit
|
commitdiff
|
tree
2013-01-16
Christoph Junghans
Remove debug
sta
t
m
e
nt
commit
|
commitdiff
|
tree
2013-01-15
Christoph Jun
g
h
ans
Merge
"Added
f
a
ta
l
error
f
or constr
a
ints + L
-
BFGS minimizer
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
C
h
r
ist
o
p
h Jun
g
han
s
Me
r
g
e "
d
isa
b
l
e
O
penMP
w
ith all
O
S
X gc
c
4
.
2-based compile
r
s
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Christoph Jun
g
hans
Merg
e
"Rem
o
ve unuse
d
b
f
unc
.
h
.
" i
n
t
o
r
elease-4-6
commit
|
commitdiff
|
tree
2013-01-13
Christ
o
ph Junghans
Mer
g
e "Clarified som
e
c
o
m
ments
&
warnings about thre
a
d
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
C
hr
i
stoph Junghan
s
M
e
rge "Manage
BlueG
e
n
e/Q config
u
ration" into r
e
lease-4-6
commit
|
commitdiff
|
tree
2013-01-13
Christoph
J
unghans
M
e
r
g
e "Re-org
a
nize BlueGene toolchain files" into release-4-6
commit
|
commitdiff
|
tree
2013-01-13
Ch
r
istoph J
u
nghans
Merge "C
h
anged defa
u
lts for
building
s
hared li
b
raries
.
.
.
commit
|
commitdiff
|
tree
2013-01-12
Chri
s
t
oph Jungha
n
s
Merge "
A
d
ded missin
g
export" into
relea
s
e-4-
6
commit
|
commitdiff
|
tree
2013-01-11
Chri
s
toph Jun
g
han
s
Merge "
c
o
n
s
ole and log output
i
mprovem
e
nts
"
into re
l
ease-4-6
commit
|
commitdiff
|
tree
2013-01-11
Christoph Jun
g
h
ans
Mer
g
e "Fix CUDA b
e
i
ng q
u
iet a
n
d mar
k
all CUDA_* as
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
Christoph Junghans
Merge
"Remove incor
r
ect asse
r
t
a
dde
d
by 05f9a740"
i
nto
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Chr
i
st
o
ph Jun
g
ha
n
s
cmake:
remove double-negative quotes lo
g
i
c
commit
|
commitdiff
|
tree
2013-01-07
Chr
i
stoph Junghans
Me
r
ge
"
Make gmx_cp
u
id
.
h
s
el
f
-standin
g
.
" in
t
o
release-4-6
commit
|
commitdiff
|
tree
2013-01-03
Christoph Junghans
add an option
t
o not build t
h
e template
commit
|
commitdiff
|
tree
2013-01-03
C
h
ristoph
J
unghans
Ad
d
missin
g
defines t
o
PKG_CFLAGS
commit
|
commitdiff
|
tree
2013-01-03
Christoph Junghans
Merge "Remove non-functional P
o
werPC invsqrt
.
" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Ch
r
istoph Jungh
a
ns
cmak
e
: add option to install libm
d
as
l
ibg
m
xmd
commit
|
commitdiff
|
tree
2012-12-22
Christoph Junghans
cmake
:
mark FFT
W
_
HAVE_{SIMD,AVX} as
adv
a
nced
commit
|
commitdiff
|
tree
2012-12-21
C
h
ris
t
oph Jun
g
hans
Merge "Remov
e
non-function
a
l compiler override for
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Christop
h
Junghans
M
erge
"Fixed AV
X
256 doubl
e
-precis
i
o
n kernels for gcc
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Christoph Junghans
cm
a
ke: added option
to disa
b
le quote
s
commit
|
commitdiff
|
tree
2012-12-18
Christ
o
ph
Ju
n
ghans
M
e
rge "Fixe
s
redmi
n
e issue #
1
071" into release-4-6
commit
|
commitdiff
|
tree
2012-12-17
Chris
t
op
h
J
u
ng
h
ans
Remove
the
r
e
st o
f
the fortran/power6
ac
c
e
leration
commit
|
commitdiff
|
tree
2012-12-13
Chris
t
oph Junghans
Merge "Extended genbox to insert molecules at given
.
.
.
commit
|
commitdiff
|
tree
2012-12-13
Christoph
J
unghans
Always build template program
commit
|
commitdiff
|
tree
2012-12-11
C
h
r
isto
p
h
Junghans
M
erge "Fix compi
l
ation wit
h
P
GI" into release-4-6
commit
|
commitdiff
|
tree
2012-12-10
Christoph Junghan
s
Merge "force
C
++ linking of the gpu_utils
"
into releas
e
-4
-
6
commit
|
commitdiff
|
tree
2012-12-05
C
h
ristoph
Junghans
fixed obsolete gmx_fatal in OpenM
M
buil
d
commit
|
commitdiff
|
tree
2012-11-29
Chris
t
oph Junghans
Merge "P
r
int error if no thread su
p
port is
a
v
a
i
lable
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Christoph Junghan
s
Merge "Fix cpack
src ign
o
re rule" i
n
to
r
elease-4-6
commit
|
commitdiff
|
tree
2012-11-28
C
h
rist
o
ph Junghans
Add
o
pti
o
n t
o
inte
r
nally build FFT
W
if
s
elec
t
ed
commit
|
commitdiff
|
tree
2012-11-22
Christoph Junghans
improve FindGROM
A
CS
.
cmake
commit
|
commitdiff
|
tree
2012-11-20
Christoph Junghans
Merge
"
Fi
x
g
_msd -mo
l
" into release-4-6
commit
|
commitdiff
|
tree
2012-11-20
Chr
i
sto
p
h Junghans
Merg
e
"Fixes bug in g_hbond that m
a
kes it
p
roduce fatal
.
.
.
commit
|
commitdiff
|
tree
2012-11-16
Chris
t
oph Jung
h
a
n
s
R
emove rest of the
x
m
l
support
commit
|
commitdiff
|
tree
2012-11-15
Christop
h
Junghans
Me
r
ge "Tes
t
that co
m
pi
l
ing an
d
linking
o
f AVX works
.
.
.
commit
|
commitdiff
|
tree
2012-11-12
Christoph Ju
n
gh
a
ns
Mer
g
e "Opti
o
n
t
o cr
e
ate
symlinks to g_ana
.
"
commit
|
commitdiff
|
tree
2012-11-12
Christoph J
u
ngh
a
ns
Merge "Alw
a
ys use relative inst
a
ll path
s
.
"
commit
|
commitdiff
|
tree
2012-11-08
Christoph
J
unghans
Merge "au
t
o-
s
et nvcc host
compiler with
F
indMPI
detec
t
i
o
n
.
.
.
commit
|
commitdiff
|
tree
2012-11-08
Chr
i
s
to
p
h
Junghans
Merg
e
"
Relocate
d
logic of simple-vs-GP
U
Ewald table
.
.
.
commit
|
commitdiff
|
tree
2012-11-07
Christoph Jung
h
ans
Obey DSO s
t
andard
commit
|
commitdiff
|
tree
2012-11-03
Chr
i
stoph Junghans
Rewo
r
ked
v
ersion of cmake
FFTW detect
i
on
commit
|
commitdiff
|
tree
2012-11-01
Christoph
J
unghans
Ac
t
ually d
i
s
able GPU when compiling in dou
b
le
commit
|
commitdiff
|
tree
2012-10-27
C
h
ristoph Jun
g
hans
Merge "Fix large
f
ile supp
o
rt"
int
o
release-4-
5
-patc
h
es
commit
|
commitdiff
|
tree
2012-10-26
Chri
s
toph Jung
h
ans
Merge "e
n
ab
l
e GMX_PREFER_S
T
AT
I
C_LIBS
CMak
e
option
on
.
.
.
commit
|
commitdiff
|
tree
2012-10-26
Ch
r
i
s
toph Junghans
Mer
g
e "fix fa
l
se
positive gcc 4
.
7 warning in libxdrf
.
.
.
commit
|
commitdiff
|
tree
2012-10-10
Chris
t
oph Junghans
f
ixe
d
header for 3
r
d
p
arty a
p
p
s
commit
|
commitdiff
|
tree
2012-10-02
Christoph Junghans
Merge "
M
er
g
e release-4-
6
i
n
t
o
master"
commit
|
commitdiff
|
tree
2012-09-27
Christoph Junghans
Merg
e
"Fixed a
n
off-by-one erro
r
in atom counting
in
.
.
.
commit
|
commitdiff
|
tree
2012-09-25
C
hristoph
J
un
g
hans
Merge "Fix REM
D
use of gmx_larg
e
_int
_
t for
#
steps va
r
iable
.
.
.
commit
|
commitdiff
|
tree
2012-09-14
Christoph Ju
n
ghans
M
e
rge "
f
ixed
r
ecent bug wit
h
grompp ch
e
c
k f
o
r P
-
R P
.
.
.
commit
|
commitdiff
|
tree
2012-09-10
Chr
i
stoph
J
u
n
ghans
up
d
a
t
ed referenc
e
s
commit
|
commitdiff
|
tree
2012-09-10
Christo
p
h
J
u
n
ghans
Merge "Al
l
ow 'atomn
a
me' and 'atomtype' in
selections
.
"
commit
|
commitdiff
|
tree
2012-09-07
Christ
o
ph Junghans
M
e
rge "Fix VMD plugins on Windows" int
o
release-4-6
commit
|
commitdiff
|
tree
2012-09-07
Chri
s
toph Jungh
a
n
s
Merge "Check that gmx_de
t
ectcpu runs correctly
"
into
.
.
.
commit
|
commitdiff
|
tree
2012-09-04
Christoph Junghans
Merge "Fi
x
e
s to
o
many b
a
c
k
up
f
iles for *
.
nroff file
s
.
.
.
commit
|
commitdiff
|
tree
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