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added CMake option GMX_PREFER_STATIC_LIBS (also fixes bug #541)
2010-10-29
Szilard Pall
added CMak
e
op
t
ion G
M
X_PREFER_STATIC_LIBS (also fixes
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
Szilard Pall
fixed syntax error fr
o
m co
m
mit
bd
5
b2
7
24
commit
|
commitdiff
|
tree
2010-10-05
Szilard
Pa
l
l
impr
o
v
ed option compatibility checking with OpenMM
commit
|
commitdiff
|
tree
2010-10-01
Szil
a
rd Pall
make
i
nstall-mdr
u
n now instal
l
es
s
hared libs (fix f
o
r
.
.
.
commit
|
commitdiff
|
tree
2010-09-20
S
z
ilard P
a
ll
FindFFT?[F
]
scripts can use a path provide
d
i
n F
F
TW
x
.
.
.
commit
|
commitdiff
|
tree
2010-09-08
Szilard Pall
Fixed
b
i
nary/lib suffixing
incon
s
istencies
(bug
5
3
9)
commit
|
commitdiff
|
tree
2010-09-07
Szilard Pall
fixed warn
i
n
gs caused by some uninitialized vari
a
bles
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
Mark advanced
variables/options that
are not relev
a
n
t
.
.
.
commit
|
commitdiff
|
tree
2010-09-06
Szilard Pall
Mark advan
c
ed GMX_BINARY_S
U
FFI
X
and GMX_LIBS_SUFF
I
X
.
.
.
commit
|
commitdiff
|
tree
2010-09-01
Szi
l
ard Pal
l
Updated list of supported
GPUs
commit
|
commitdiff
|
tree
2010-08-31
S
zilar
d
P
all
Merge bran
c
h 'release-
4
-
5-patches' of git://git
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
z
i
lard Pall
Improve
d
option d
i
sabling on s
w
it
c
hing to OpenMM build
.
.
.
commit
|
commitdiff
|
tree
2010-08-31
S
z
i
lar
d
Pall
fixed
/
improved
c
make FF
T
W3 detection
commit
|
commitdiff
|
tree
2010-08-03
S
zilard Pall
minor addi
t
ion to previus gc
c
4
.
1
.
x disabling commit
commit
|
commitdiff
|
tree
2010-08-03
S
zilard Pa
l
l
Removed g
c
c
4
.
1
.
x che
c
k
a
s bug 431 turned out to
be
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Szi
l
ard Pall
additiona
l
fix
to commi
t
c
5
d62af07
d
01b8, now libmd
.
.
.
commit
|
commitdiff
|
tree
2010-06-24
Sz
i
lard
Pall
Me
r
ge bra
n
ch 'master'
of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-24
S
zilard Pall
cmake su
p
port for
u
se
r
-defined binary prefixes
,
cust
o
m
.
.
.
commit
|
commitdiff
|
tree
2010-06-20
Szila
r
d Pall
Merge
b
ranc
h
'master
'
of git@git
.
gromacs
.
o
rg:
g
rom
a
c
s
commit
|
commitdiff
|
tree
2010-06-20
Szilard Pal
l
Fixed G
C
C version checking i
n
cmake
commit
|
commitdiff
|
tree
2010-06-17
Szilard P
a
ll
Merge br
a
nch
'
master' of git@git
.
g
r
omacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-17
Sz
i
lard Pall
fi
x
ed m
i
nor
bug in openmm_wrapper
.
cpp
commit
|
commitdiff
|
tree
2010-06-17
Szilar
d
Pall
Impleme
n
ted (bug
g
y) gcc 4
.
1
.
x c
h
eck
in cmake
.
commit
|
commitdiff
|
tree
2010-06-10
Sz
i
lard Pa
l
l
f
ixed warn
i
ngs in gmx_
g
pu_utils a
n
d open
m
m_wrapper
commit
|
commitdiff
|
tree
2010-06-10
S
z
i
la
r
d Pall
Merge
b
ranch 'master' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-10
Szi
l
a
r
d Pall
fixed
l
o
g
ging output
in do_md_openm
m
commit
|
commitdiff
|
tree
2010-06-03
Szi
l
ard P
a
ll
Merge branch 'master' of git
@
git
.
gromac
s
.
org:gromacs
commit
|
commitdiff
|
tree
2010-06-01
Szilard Pall
Merge
bra
n
ch 'm
a
s
ter
'
o
f
git
@
gi
t
.
gromacs
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-06-01
S
z
ila
r
d
Pall
f
ixed OpenMM intera
c
ti
o
n
type check
commit
|
commitdiff
|
tree
2010-05-31
S
zila
r
d Pall
minor
f
ixes in ditr
i
bution files
commit
|
commitdiff
|
tree
2010-05-31
Szilard P
a
ll
Merge
branc
h
'master' of git
@
git
.
gro
m
acs
.
or
g
:gromacs
commit
|
commitdiff
|
tree
2010-05-31
Szilard Pal
l
Updated README an
d
INS
T
ALL files, added README-GPU
.
.
.
commit
|
commitdiff
|
tree
2010-05-31
S
z
ilard Pall
F
i
xed typo in C
M
akeLi
s
ts f
o
r m
d
run-gpu
commit
|
commitdiff
|
tree
2010-05-30
Sz
i
lard P
a
ll
OpenMM: added comb
i
nation rul
e
c
heck, disab
l
ed restraint
.
.
.
commit
|
commitdiff
|
tree
2010-05-30
Szi
l
ard Pall
Fi
x
for MSVC linking
a
nd release-build OpenMM plugin
.
.
.
commit
|
commitdiff
|
tree
2010-05-26
Szi
l
ard Pall
Fixed some compile
r
warinig
s
,
m
i
no
r
bugs
a
nd docum
e
n
tation
.
.
.
commit
|
commitdiff
|
tree
2010-05-19
Szilard Pall
Merge branch 'mas
t
e
r' of git@g
i
t
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-19
Szi
l
ard Pall
f
ixed the PME tolerance "adjustment
"
for
OpenM
M
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
Merge branch 'mast
e
r' of git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
F
ix in op
e
nmm_wrapper which
makes
i
t work
with MSVC
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pall
fixed signal handling in m
d
_openmm
commit
|
commitdiff
|
tree
2010-05-12
Szil
a
r
d
Pall
M
e
rge branch 'master'
of git@git
.
g
r
omacs
.
org
:
g
r
oma
c
s
commit
|
commitdiff
|
tree
2010-05-12
Szilard P
a
ll
min
o
r fixes in documentation + s
o
m
e
debu
g
g
i
ng
c
od
e
.
.
.
commit
|
commitdiff
|
tree
2010-05-12
Szilard Pa
l
l
added o
s
-
s
pecific de
f
ines from cma
k
e
requi
r
ed by
m
emtestG80
commit
|
commitdiff
|
tree
2010-05-10
Szilard Pa
l
l
MSVC fix for gmx_parallel_3dfft
.
c
commit
|
commitdiff
|
tree
2010-05-10
Szil
a
rd Pall
only iss
u
e openmm
constrints warni
n
g if constrainsta
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szil
a
rd Pa
l
l
Merge branc
h
'mas
t
er' of git@gi
t
.
gromacs
.
org:gr
o
macs
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ar
d
Pall
tempo
r
a
r
y fi
x
for co
m
pilation err
o
r
w
ith
G
MX_OPENMM=
O
N
commit
|
commitdiff
|
tree
2010-05-07
S
z
ilar
d
Pall
Merge b
r
anch 'ma
s
ter' of git
@
git
.
groma
c
s
.
o
r
g:grom
a
cs
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
M
erge branch
'master' of git@git
.
groma
c
s
.
org:g
r
omacs
commit
|
commitdiff
|
tree
2010-05-07
Sz
i
lard Pall
add
e
d
g
r
o
macs fil
e
headers to the O
p
en
M
M-relat
e
d
f
ile
s
commit
|
commitdiff
|
tree
2010-05-07
Szilar
d
Pall
minor f
i
xes, documentation and slight
A
PI ch
a
nge in
.
.
.
commit
|
commitdiff
|
tree
2010-05-07
Szi
l
ard Pa
l
l
minor updates to FindGit and F
i
ndOpenMM
commit
|
commitdiff
|
tree
2010-05-07
Szilard Pall
updated FindCUDA to version from cmake 2
.
8
.
1
f
or CUDA
.
.
.
commit
|
commitdiff
|
tree
2010-04-20
Szilard Pal
l
Merge branch 'master' of git@g
i
t
.
gromacs
.
org:grom
a
c
s
commit
|
commitdiff
|
tree
2010-04-20
Szila
r
d Pall
do
x
y
g
en comments
fo
r
th
e
OpenMM part
commit
|
commitdiff
|
tree
2010-04-16
S
z
ilard Pall
a
d
de
d
documentatio
n
f
o
r the openmm
_
w
r
apper
commit
|
commitdiff
|
tree
2010-04-16
Szilar
d
Pall
forma
t
ting fix of openmm wrapper - gromacsifi
e
d the
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pal
l
clea
n
ed up a bunch op
me
s
s in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
bugfix fo
r
d
o
_m
d
_ope
n
mm - was always pulling data from
.
.
.
commit
|
commitdiff
|
tree
2010-04-13
Szilard Pall
fi
x
e
d
timing
bug
in do_md_openmm
commit
|
commitdiff
|
tree
2010-04-13
S
z
ila
r
d Pall
a
dded some more support
e
d
GPUs (high-end mobile and
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Sz
i
lard
P
all
Mer
g
e
b
ranch 'maste
r
'
o
f
git@git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-04-06
Szilard
P
all
no
w
g_bar looks
for lambda o
n
ly i
n
t
he las
t
d
irector
y
.
.
.
commit
|
commitdiff
|
tree
2010-04-04
Szila
r
d P
a
ll
Fix
e
d
g_bar bug in lam
b
da
value parsi
n
g
fro
m
pa
t
h
.
commit
|
commitdiff
|
tree
2010-03-29
Szilard Pal
l
fi
x
ed gmxGe
n
erateV
e
r
s
ionI
n
fo
.
cmake
to produc
e
8 digit
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szil
a
rd Pall
The
c
m
ake development information ge
n
erating
w
orks
.
.
.
commit
|
commitdiff
|
tree
2010-03-28
Szilar
d
Pall
added FindG
i
t
.
c
m
ake scri
p
t
commit
|
commitdiff
|
tree
2010-03-28
S
z
ilar
d
Pall
f
ix for gmxGe
n
er
a
teVersionI
n
fo
.
cmake, now work
s
w
i
th
.
.
.
commit
|
commitdiff
|
tree
2010-03-25
S
zila
r
d Pal
l
fixed
U
SE
_
VERSION_H
Cmake
o
ption
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
M
e
r
g
e
branc
h
'master' of gi
t
@git
.
grom
a
cs
.
org:gro
m
acs
commit
|
commitdiff
|
tree
2010-03-18
Szilard Pall
fixed
the problem of version
.
c
n
o
t
being
b
u
i
lt at the
.
.
.
commit
|
commitdiff
|
tree
2010-03-18
Szilard
Pal
l
a
d
d
e
d missing VERSION prefix to _gmx_ver_stri
n
g
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pall
fix for
g
e
nver
s
ion
.
sh t
o
recogni
z
e the git://
.
.
.
/g
r
omacs
.
.
.
commit
|
commitdiff
|
tree
2010-03-16
Szilard Pa
l
l
Merge br
a
nch '
m
aster' o
f
git@git
.
grom
a
cs
.
o
r
g:
g
roma
c
s
commit
|
commitdiff
|
tree
2010-03-16
S
z
ilard Pall
C
m
a
k
e impl
e
mentatio
n
t
o generate
d
evelopment
b
u
ild
.
.
.
commit
|
commitdiff
|
tree
2010-01-28
Szi
l
ard
P
a
ll
Fixe
d
de
a
dlock occuring
i
n gmx_fatal
.
c: int
r
oduced
.
.
.
commit
|
commitdiff
|
tree