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Use signed arithmetic in enumeration helper
2020-06-18
Christ
o
ph Junghans
cmake
:
export gmx
targe
t
commit
|
commitdiff
|
tree
2020-04-10
Chris
t
oph Jung
h
a
n
s
cmake: f
i
x exported targ
e
t
commit
|
commitdiff
|
tree
2020-04-08
Christoph Junghans
c
m
ake: ad
d
support o
f
OSX in GMXRC
.
*
commit
|
commitdiff
|
tree
2020-03-07
Chr
i
stoph
J
unghans
cmake
:
use li
b
suffix o
n
g
m
x
a
p
i
as
w
ell
commit
|
commitdiff
|
tree
2020-01-15
C
hr
i
s
t
oph Junghans
c
m
ake: install pbc
.
h for GMX_INS
T
ALL
_
LEGA
C
Y_API
commit
|
commitdiff
|
tree
2020-01-13
Christoph Jun
g
hans
g
m
xManag
e
MPI
.
cmake: conve
r
t MPI FLAGS to lists
commit
|
commitdiff
|
tree
2019-12-24
Ch
r
isto
p
h
J
ungh
a
n
s
cmake: fix missing header
f
or legacy api
commit
|
commitdiff
|
tree
2019-10-01
Christoph
J
unghans
cm
a
ke: ad
d
missing header to leg
a
cy a
p
i
commit
|
commitdiff
|
tree
2019-09-22
C
h
ristoph Jungh
a
ns
workaround for rhel bug #174
9
4
6
3, cmak
e
bug #18349
commit
|
commitdiff
|
tree
2019-09-13
Christ
o
ph Junghans
cmake: add
o
ptio
n
to install lega
c
y h
e
ade
r
s
commit
|
commitdiff
|
tree
2019-01-22
Christoph Junghans
g
m
xManageLmfit
.
cmake: e
n
for
c
e u
s
a
g
e
of
7
.
0
commit
|
commitdiff
|
tree
2019-01-04
Christoph Jung
h
ans
g
mxM
a
nage
L
mfit
.
cmake: enforce usage of 7
.
0
commit
|
commitdiff
|
tree
2017-09-05
Christoph Junghans
Supported quiet tr
a
jectory-h
a
ndl
i
ng I/O
commit
|
commitdiff
|
tree
2016-11-10
Chri
s
t
oph Ju
n
ghans
cmake: fix build with GMX_EXTERN
A
L_TNG=ON
commit
|
commitdiff
|
tree
2015-12-12
Ch
r
istoph
J
ungha
n
s
A
d
R
e
sS: l
o
s
t
perfo
r
m
ance t
w
eak
commit
|
commitdiff
|
tree
2014-11-26
C
hri
s
to
p
h Junghans
Merge release-5-0 into
m
as
t
er
commit
|
commitdiff
|
tree
2014-11-21
Christ
o
p
h Junghans
Added
.
travis
.
yml
commit
|
commitdiff
|
tree
2014-09-04
Chri
s
t
o
ph
J
ungh
a
ns
cmak
e
: m
i
ssing quote
commit
|
commitdiff
|
tree
2014-03-11
C
hri
s
toph
Junghans
Install enu
m
s
.
h
commit
|
commitdiff
|
tree
2014-03-01
Chri
s
toph J
u
nghans
switch
l
d_seed fr
o
m int t
o
g
m
x_int64_
t
commit
|
commitdiff
|
tree
2014-02-20
Christoph Junghans
added
g
mx_i
s
_{single,double}_prec
i
s
ion
commit
|
commitdiff
|
tree
2014-02-03
Christ
o
ph
J
u
nghans
cmake ea
t
s slashes
commit
|
commitdiff
|
tree
2014-01-28
Christoph Junghans
cmake: added
F
FTW
_
U
R
L t
o
allow
e
as
y
o
f
fline build
commit
|
commitdiff
|
tree
2013-12-29
Christoph Jung
h
a
ns
cmake:
m
a
ke
GMX_BUILD_OWN_FFTW work with
o
ut fort
r
an
.
.
.
commit
|
commitdiff
|
tree
2013-12-20
C
h
r
i
sto
p
h
J
u
ngh
a
n
s
re-add Carsten &
me
t
o
the copyrite
commit
|
commitdiff
|
tree
2013-10-03
Christoph
J
u
n
ghans
Fix parall
e
l
b
uild for GMX_BU
I
LD_
O
WN_FFTW
commit
|
commitdiff
|
tree
2013-09-26
Chr
i
stop
h
J
u
nghans
D
r
op md5sum check
f
o
r GMX
_
BUILD_OWN_FFTW
commit
|
commitdiff
|
tree
2013-07-30
Christop
h
Junghans
cmake: Imp
r
ove some error
mes
s
ages
commit
|
commitdiff
|
tree
2013-07-06
Ch
r
istoph Jungh
a
ns
more p
k
g-con
f
ig fi
x
e
s
commit
|
commitdiff
|
tree
2013-07-04
Christoph Junghans
Fixed so
m
e inconsistenc
i
e
s in pkg-config files
commit
|
commitdiff
|
tree
2013-05-15
Christoph Junghans
Merge "fixed incorrect scaling of cos-acceleration
.
.
.
commit
|
commitdiff
|
tree
2013-05-10
Chris
t
oph Junghans
improve build w
i
th OpenMM, still
n
ot
1
00% fixed
commit
|
commitdiff
|
tree
2013-04-29
Christop
h
Junghans
Merg
e
"Fix
a
nother bug in selecti
o
n su
b
expression handling
.
"
commit
|
commitdiff
|
tree
2013-04-29
Christoph Junghans
M
e
rge "Fix bug in se
l
ection subex
p
ression
h
andling
.
"
commit
|
commitdiff
|
tree
2013-04-26
Christoph Junghans
Merg
e
"v-resc
a
le works w
i
th t
a
u-t >
=
0" into releas
e
-4-6
commit
|
commitdiff
|
tree
2013-04-16
C
hristoph Junghans
Use
g
it snapshots o
f
the te
s
ts if are on git
commit
|
commitdiff
|
tree
2013-03-29
Christoph Jungh
a
n
s
Mer
g
e "Added insta
l
l guide sect
i
on
for BLAS/LAPACK
.
.
.
commit
|
commitdiff
|
tree
2013-03-19
Chr
i
stoph Jun
g
h
a
ns
Merge "Essential dynamics
:
f
ixed legend in ED
.
xv
g
.
.
.
commit
|
commitdiff
|
tree
2013-03-02
Chr
i
stoph
Jungha
n
s
Merge "Uncrus
t
i
f
ied code
c
hanges
s
ince 4
.
6" i
n
to rel
e
ase-4-6
commit
|
commitdiff
|
tree
2013-02-26
Christoph Junghans
Merge "Merge release-4-6 in
t
o master"
commit
|
commitdiff
|
tree
2013-02-20
Christoph Jungha
n
s
Bu
m
p sha
r
ed
object ve
r
sion to 8
commit
|
commitdiff
|
tree
2013-02-12
Chr
i
s
t
oph Junghans
Updat
e
d FindGSL
.
cma
k
e to
v
e
rsi
o
n writ
t
en by me
.
commit
|
commitdiff
|
tree
2013-02-05
C
h
r
istoph Jungh
a
ns
Merge "Document
e
d what G
M
X
_
C
PU_
A
CCELERATI
O
N rea
l
ly
.
.
.
commit
|
commitdiff
|
tree
2013-02-05
Christoph J
u
n
g
hans
improve setup o
f
multiple tf tables
commit
|
commitdiff
|
tree
2013-02-02
Christoph Junghans
Fixe
d
flop
c
ounting fo
r
generic cg/adress kernel
s
commit
|
commitdiff
|
tree
2013-02-02
Ch
r
istoph Junghans
cm
a
ke: fixe
d
typo in t
e
mplate CMakeLists
.
txt
commit
|
commitdiff
|
tree
2013-01-25
Chri
s
toph J
u
nghans
f
i
xed c
o
pyrigh
t
of adress kernel
commit
|
commitdiff
|
tree
2013-01-25
Chr
i
sto
p
h
Junghans
Me
r
ge "M
o
ved a few comments
back into
positi
o
n" in
t
o
.
.
.
commit
|
commitdiff
|
tree
2013-01-21
Christoph Jun
g
hans
Merge "
S
et version info for 4
.
6
.
x rel
e
as
e
series" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-19
Ch
r
istop
h
Jun
g
ha
n
s
Re-licenced FindGROMACS
.
cmake (was
w
ritten by me)
commit
|
commitdiff
|
tree
2013-01-17
Chri
s
toph Jungh
a
ns
M
e
r
ge "Added note a
b
out mak
e
_edi
a
nd flooding in
ED
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Christoph
Jungha
n
s
Merge "use t
h
e
c
o
m
p
i
ler version provide
d
by CM
a
ke
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Christoph Junghans
Merge "note t
h
e rea
s
on
f
or
auto-disabling
G
PU su
p
port
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Christoph
J
u
n
ghan
s
cle
a
n up fo
r
t
ran name manglin
g
commit
|
commitdiff
|
tree
2013-01-16
C
h
rist
o
ph Junghans
Remov
e
debug
s
ta
t
ment
commit
|
commitdiff
|
tree
2013-01-15
Chris
t
oph
J
u
nghans
Me
r
g
e
"Adde
d
fata
l
error
for
constraints
+
L-BFGS mi
n
imizer
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
Ch
r
i
s
toph Jun
g
hans
Merge "
d
isable OpenMP
w
ith all
O
S
X gcc 4
.
2-based c
o
mpile
r
s
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Christoph Jung
h
ans
Merge
"Remove unuse
d
bfunc
.
h
.
" into releas
e
-
4-6
commit
|
commitdiff
|
tree
2013-01-13
Christoph
Junghans
Merge "Clarified
some comments & warnings about thread
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Christoph Junghan
s
M
e
r
ge "Manage
B
lue
G
ene/Q
configuration" into
r
el
e
a
s
e-4-6
commit
|
commitdiff
|
tree
2013-01-13
C
hristoph Jung
h
ans
Merge
"
Re-o
r
gani
z
e Bl
u
e
Gen
e
toolchain
fi
l
es" into rel
e
ase-4-6
commit
|
commitdiff
|
tree
2013-01-13
Christoph Jungh
a
n
s
Mer
g
e
"C
h
ange
d
defaults for building shared libra
r
ies
.
.
.
commit
|
commitdiff
|
tree
2013-01-12
Chr
i
s
t
oph
J
unghans
Merge
"Added missing exp
o
rt" into release-4-6
commit
|
commitdiff
|
tree
2013-01-11
C
h
ri
s
toph Junghans
Merge "con
s
ole and log output i
m
provements" into release-4-6
commit
|
commitdiff
|
tree
2013-01-11
Chr
i
stoph Junghans
Me
r
ge "Fix CUDA being quiet and
m
ark al
l
CUDA_* as
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
Christoph Junghans
Merg
e
"Remove in
c
o
r
rect ass
e
rt added by 05
f
9a740" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Christoph Jun
g
h
ans
cmak
e
: remove
d
o
uble-
n
egative quotes lo
g
ic
commit
|
commitdiff
|
tree
2013-01-07
C
hri
s
t
oph Junghans
Merge "Make gmx_cpuid
.
h self-
s
tanding
.
"
into relea
s
e-
4
-6
commit
|
commitdiff
|
tree
2013-01-03
Christoph Junghans
add an option
to not
build the templa
t
e
commit
|
commitdiff
|
tree
2013-01-03
Chri
s
toph Jungh
a
ns
Add missing defines to PKG_CFL
A
G
S
commit
|
commitdiff
|
tree
2013-01-03
Christoph
J
unghans
Me
r
ge "Remo
v
e non-functional
PowerPC invsq
r
t
.
" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Ch
r
i
s
toph
Junghan
s
cmake: add option to install lib
m
d a
s
libg
m
xmd
commit
|
commitdiff
|
tree
2012-12-22
Chris
t
o
ph Junghans
c
make:
m
ark
F
FTW_HAVE_{SIMD,AV
X
}
a
s
a
dvanced
commit
|
commitdiff
|
tree
2012-12-21
Chri
s
toph
J
u
n
ghans
Merg
e
"Remove
non-functional compiler override for
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
C
h
ristoph Junghans
Merge "Fixe
d
AV
X
256 double-pre
c
is
i
on ke
r
nels for gcc
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Christoph Jungha
n
s
cma
k
e: added option to disa
b
le quotes
commit
|
commitdiff
|
tree
2012-12-18
Chri
s
toph Jungha
n
s
Merge "Fixes redmine issue
#
1071" i
n
t
o
release-4-6
commit
|
commitdiff
|
tree
2012-12-17
Chr
i
st
o
ph Junghans
Remo
v
e th
e
rest
of the fortran/powe
r
6
accelerati
o
n
commit
|
commitdiff
|
tree
2012-12-13
C
hristoph Junghans
Merge
"
Extended genbox to insert molecul
e
s at given
.
.
.
commit
|
commitdiff
|
tree
2012-12-13
Christoph Jungha
n
s
Always buil
d
templat
e
program
commit
|
commitdiff
|
tree
2012-12-11
Christoph J
u
ngh
a
ns
Merge "Fix compilation with PG
I
" into r
e
l
e
as
e
-4-6
commit
|
commitdiff
|
tree
2012-12-10
C
h
ris
t
o
ph
Junghans
Merge "fo
r
ce C++ linking of the gpu_utils" into
release-4-6
commit
|
commitdiff
|
tree
2012-12-05
Chri
s
toph
J
unghans
fixed obsolete gmx
_
fatal
in Op
e
nMM build
commit
|
commitdiff
|
tree
2012-11-29
Christoph Junghans
Merge "Print error
i
f no thread support is
a
vail
a
b
le
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Christoph
J
unghan
s
Merge "Fix
c
pack sr
c
ignore rule"
i
nto releas
e
-4-6
commit
|
commitdiff
|
tree
2012-11-28
Christoph Junghans
Add optio
n
to
i
nternally build FFTW
i
f selected
commit
|
commitdiff
|
tree
2012-11-22
Chri
s
t
o
ph Junghans
impr
o
ve FindGRO
M
ACS
.
cmake
commit
|
commitdiff
|
tree
2012-11-20
Christoph
J
u
n
ghans
Mer
g
e "Fix
g_msd -mol"
into release-4
-
6
commit
|
commitdiff
|
tree
2012-11-20
Christop
h
Junghans
Merge "Fi
x
es bug in g_hbond that mak
e
s
i
t
produc
e
fatal
.
.
.
commit
|
commitdiff
|
tree
2012-11-16
Chris
t
oph Ju
n
ghans
Remove rest of the xml suppo
r
t
commit
|
commitdiff
|
tree
2012-11-15
Christoph Junghans
Merge "Test that comp
i
ling and linking
o
f
A
VX wor
k
s
.
.
.
commit
|
commitdiff
|
tree
2012-11-12
Chr
i
stoph Junghan
s
Merge "Opt
i
o
n to create symlinks to g_ana
.
"
commit
|
commitdiff
|
tree
2012-11-12
Chr
i
st
o
ph Junghans
Mer
g
e "Always
use relative install path
s
.
"
commit
|
commitdiff
|
tree
2012-11-08
C
h
ristoph J
u
nghans
Merg
e
"
a
uto-
s
et nvcc host compiler with FindMPI d
e
tection
.
.
.
commit
|
commitdiff
|
tree
2012-11-08
Christo
p
h Jun
g
hans
Merge "Relocated logi
c
o
f sim
p
le-vs-G
P
U Ewald table
.
.
.
commit
|
commitdiff
|
tree
2012-11-07
Christoph Junghans
Obey DSO stan
d
ard
commit
|
commitdiff
|
tree
2012-11-03
Christ
o
ph
J
unghans
Reworked
v
e
r
sion of cma
k
e
FF
T
W detec
t
ion
commit
|
commitdiff
|
tree
2012-11-01
Christoph Junghans
Actual
l
y disable
G
PU whe
n
compil
i
ng in
d
ouble
commit
|
commitdiff
|
tree
2012-10-27
C
h
r
i
s
t
oph Junghans
Me
r
ge
"
F
i
x
l
arge f
i
le support" in
t
o
release-4-5-patches
commit
|
commitdiff
|
tree
2012-10-26
C
h
ri
s
to
p
h Ju
n
ghans
Merge "enable GMX
_
PREFE
R
_ST
A
TIC_LIBS
CMake option on
.
.
.
commit
|
commitdiff
|
tree
next