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Merge branch 'release-4-5-patches' of git.gromacs.org:gromacs into release-4-5-patches
2010-10-29
Szilard Pall
Merge b
r
anch 'rel
e
a
se-4-5-
p
atches'
of git
.
g
r
o
macs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szi
l
ard Pall
enabled GMX_PREFER_STATIC_LIBS
C
Make
op
t
ion f
o
r
CYGWIN
commit
|
commitdiff
|
tree
2010-10-29
Szilard
P
a
ll
fixed the
d
ef
a
ult
fo
r
O
p
e
nM
M
p
lugin dir
l
o
c
ation
(bug
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
S
zilard Pall
fixed
make install-mdrun issue (bug #605)
commit
|
commitdiff
|
tree
2010-10-29
Szil
a
rd Pall
(re)added "-dev" suffix for the CMake hardco
d
ed version
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szi
l
ar
d
Pall
added CM
a
ke
o
ption G
M
X_PREFER_STATIC_LIBS (also
f
ixes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
S
zilard Pal
l
fixed
s
y
n
ta
x
error
f
rom commit bd5
b
2724
commit
|
commitdiff
|
tree
2010-10-05
Szilar
d
P
all
improved optio
n
compati
b
ili
t
y checking with OpenMM
commit
|
commitdiff
|
tree
2010-10-01
S
z
ilard Pall
make i
n
stall-
m
drun now
i
n
s
talles
shared l
i
bs (fix for
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
Szilard
P
all
FindFFT?[F]
sc
r
ipts can
use a
p
ath provided in
F
FTWx
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pall
F
i
xed binary/lib
suffixing i
n
consistencies
(
bug 539)
commit
|
commitdiff
|
tree
2010-09-07
Szilard
P
all
fix
e
d
w
arnings
c
aused by
some uni
n
itia
l
i
z
e
d
v
a
ri
a
b
l
es
commit
|
commitdiff
|
tree
2010-09-06
Szilar
d
Pall
M
a
rk adv
a
n
c
ed va
r
ia
b
les/optio
n
s
that
are not relevant
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
M
ark advanced GMX_BINARY_SUFFIX and GMX_
L
IBS_SUFFIX
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Sz
i
lard P
a
ll
Upd
a
t
e
d list of supported
G
PUs
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pall
Merge b
r
anch '
r
ele
a
se-4-5-patches' of git://git
.
gr
o
macs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szilard Pall
Improved
o
ption di
s
abling on s
w
i
t
ching to O
p
enMM build
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
Szi
l
ard Pall
f
ixed/improv
e
d cmake FF
T
W3
d
et
e
c
t
ion
commit
|
commitdiff
|
tree
2010-08-03
S
z
ilard Pa
l
l
m
inor addition to pr
e
vius gcc 4
.
1
.
x disabling commit
commit
|
commitdiff
|
tree
2010-08-03
S
z
ilard Pall
Removed
gcc 4
.
1
.
x check a
s
b
u
g 431 turned out to be
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szilar
d
Pall
a
d
d
iti
o
n
al f
i
x to
comm
i
t
c
5d62af07d01b8
,
n
ow libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Sz
i
lard Pall
Merge branch 'ma
s
ter' of git
@
git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-24
Szi
l
ard Pa
l
l
c
make s
u
p
p
o
r
t
for user-defined bin
a
ry prefixes, c
u
st
o
m
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szilard Pall
Merg
e
b
r
a
nch
'ma
s
ter
'
o
f
g
it@git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-20
Szila
r
d P
a
l
l
Fixed GCC versio
n
c
heckin
g
i
n cma
k
e
commit
|
commitdiff
|
tree
2010-06-17
Sz
i
lard
P
al
l
Merge bra
n
ch 'mast
e
r' of g
i
t@g
i
t
.
g
romac
s
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2010-06-17
Szil
a
rd Pall
fixed m
i
nor bug in ope
n
mm_wrapper
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szilard P
a
ll
Implemented
(buggy) gcc 4
.
1
.
x check in cmake
.
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
f
ixed
w
a
rnings in gm
x
_gpu_utils and op
e
nmm_wrapper
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pall
M
erge branch 'master' of g
i
t@git
.
gromacs
.
org:
g
romacs
commit
|
commitdiff
|
tree
2010-06-10
Szilard Pa
l
l
f
i
xed l
o
ggi
n
g outp
u
t in
d
o_md_openm
m
commit
|
commitdiff
|
tree
2010-06-03
Sz
i
lard Pall
M
erg
e
branch 'ma
s
ter' of git@git
.
gromacs
.
o
rg:g
r
o
m
a
cs
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pall
Merge
b
ranch 'ma
s
ter'
of git@gi
t
.
gromacs
.
org:
g
roma
c
s
commit
|
commitdiff
|
tree
2010-06-01
Szilard P
a
ll
f
ixed Ope
n
MM
interaction type check
commit
|
commitdiff
|
tree
2010-05-31
Szil
a
rd Pall
minor fixe
s
i
n
d
i
t
r
ib
u
tion files
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pall
Merge branch
'
master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-31
Szi
l
ard Pall
Updated README
a
nd INSTALL files,
a
dded REA
D
ME
-
GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
Sz
i
lard Pall
Fi
x
e
d
t
ypo in CMakeLi
s
t
s
for md
r
un
-
gpu
commit
|
commitdiff
|
tree
2010-05-30
Szi
l
ard
Pall
OpenMM: added combination rule check, disabled restraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szil
a
rd
P
all
F
i
x for
M
SVC linking and release-build OpenMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szilard Pall
Fixed some com
p
i
l
er warinigs,
minor bugs an
d
d
o
cumentation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Sz
i
lard Pall
Merge bra
n
ch 'master' of git@git
.
gr
o
m
a
c
s
.
o
r
g
:
g
romacs
commit
|
commitdiff
|
tree
2010-05-19
Szilar
d
Pall
fixed the PME tolerance
"adjustment" for OpenMM
commit
|
commitdiff
|
tree
2010-05-12
Szila
r
d P
a
ll
M
e
rge branch '
m
aster' of git@git
.
g
romacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
S
zilard Pal
l
Fix in openmm_
w
rap
p
er which makes it
w
ork with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
S
zilard P
a
l
l
fixed
signal ha
n
dli
n
g i
n
md_o
p
enmm
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
lard P
a
ll
Mer
g
e branch 'mast
e
r
'
of git@git
.
g
romacs
.
org:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-12
Sz
i
lard Pall
min
o
r
f
i
x
es in do
c
umentation + some de
b
u
gging
co
d
e
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
r
d
Pa
l
l
added
o
s-s
p
eci
f
ic de
f
ines from cmake required by memtest
G
80
commit
|
commitdiff
|
tree
2010-05-10
Szilard
P
al
l
MSVC fi
x
f
o
r gmx_para
l
lel_3
d
fft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pall
only iss
u
e
o
penmm
c
on
s
trints warning if
constrain
s
ta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
Mer
g
e
bra
n
ch
'master' of git@gi
t
.
g
r
o
ma
c
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd P
a
ll
temporary
f
ix
f
or compila
t
ion e
r
ro
r
with GMX_OPE
N
MM=ON
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pall
Merge branch
'
master' of git@git
.
gromacs
.
o
r
g:gromacs
commit
|
commitdiff
|
tree
2010-05-07
S
zilard Pa
l
l
Merge branch 'master' of git@git
.
groma
c
s
.
o
rg:gromacs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
added
gromacs file headers
t
o the
O
p
e
n
M
M-r
e
l
a
ted files
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilard Pall
minor
f
ixes, documentatio
n
an
d
slight API ch
a
nge
in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ard Pall
mino
r
updates to FindGit and FindO
p
enMM
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
updated FindCUDA to version f
r
om cm
a
ke 2
.
8
.
1
f
o
r CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szila
r
d P
a
ll
Merge branch 'maste
r
' of
g
it@git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-20
Szilard P
a
ll
doxygen comments fo
r
t
h
e
Open
M
M part
commit
|
commitdiff
|
tree
2010-04-16
Szilar
d
Pall
ad
d
ed documen
t
a
t
ion for
the open
m
m
_w
r
apper
commit
|
commitdiff
|
tree
2010-04-16
Szilard Pall
for
m
att
i
ng fix of openmm wrapper - gromacsif
i
ed the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
S
zilard Pall
cleaned up
a
b
u
n
c
h op
m
e
s
s in
d
o_md_
o
penmm
commit
|
commitdiff
|
tree
2010-04-13
Szi
l
ard Pall
bugfi
x
for do_md_openmm -
was always
pull
i
ng data from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
f
ix
e
d timing
bug in do_md_ope
n
mm
commit
|
commitdiff
|
tree
2010-04-13
Sz
i
lard Pall
added some
m
ore supported G
P
Us (h
i
gh-end
m
ob
i
le and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Szi
l
ard Pall
Merge b
r
anch 'master' of
git
@
gi
t
.
gromacs
.
o
r
g
:
gromacs
commit
|
commitdiff
|
tree
2010-04-06
Szilard Pall
now g_b
a
r loo
k
s for lambda onl
y
i
n
the last directory
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szilard Pa
l
l
Fixed g_bar bug
in lambda val
u
e
parsing fro
m
p
a
th
.
commit
|
commitdiff
|
tree
2010-03-29
S
z
i
lard Pall
fixed gmxGenerateVers
i
onInfo
.
cmake to produce 8
digi
t
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilard
Pall
The cmake
development information gen
e
rating works
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szil
a
rd Pall
ad
d
ed FindGit
.
c
make
script
commit
|
commitdiff
|
tree
2010-03-28
Sz
i
lard Pa
l
l
fix for gmxG
e
ne
r
ateVer
s
ionInfo
.
c
make, now wo
r
ks wit
h
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
Szila
r
d Pa
l
l
fixed USE_VERSION_H
Cmake
o
ption
commit
|
commitdiff
|
tree
2010-03-18
Szil
a
r
d Pall
Mer
g
e branch
'master' of git@git
.
gromacs
.
o
r
g
:gromacs
commit
|
commitdiff
|
tree
2010-03-18
S
z
ilard Pa
l
l
f
ixed
t
h
e problem of version
.
c not
b
eing buil
t
a
t the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
S
zilard P
a
ll
added missin
g
V
E
RSI
O
N prefix
to _gmx_ver_st
r
i
n
g
commit
|
commitdiff
|
tree
2010-03-16
S
zilar
d
Pall
fix for
g
enversi
o
n
.
sh t
o
recognize the
g
i
t://
.
.
.
/gro
m
a
c
s
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szila
r
d Pall
M
e
rge branch 'master'
of git
@
git
.
gromacs
.
org
:
gromacs
commit
|
commitdiff
|
tree
2010-03-16
Szilard
P
all
Cmake imp
l
ementation to gen
e
rate development buil
d
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szilard Pall
F
i
xed deadlock occuring in gmx_fatal
.
c: introdu
c
ed
.
.
.
commit
|
commitdiff
|
tree