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Autogenerate gromacs.7 from programs.txt
2012-07-07
R
oland S
c
hulz
Autogenerate gromac
s
.
7
f
rom p
r
ograms
.
txt
commit
|
commitdiff
|
tree
2012-07-06
Roland Schulz
D
o
n't pr
e
v
e
nt GMX_PREFER_STATI
C
_
L
IBS with BUILD_SHARED_LIBS
commit
|
commitdiff
|
tree
2012-07-05
Ro
l
and Schulz
Bui
l
d man-p
a
g
es i
n
stea
d
of distri
b
ut
i
n
g
them in t
h
e
.
.
.
commit
|
commitdiff
|
tree
2012-07-05
R
o
land Schulz
Do
n
't rerun
c
heck
s
a
n
d
be quiet 2nd time cmake
i
s run
commit
|
commitdiff
|
tree
2012-07-04
Roland Schulz
Merge "Add FindGROMACS
.
cmake
t
o template's CM
a
keLists
.
.
.
commit
|
commitdiff
|
tree
2012-07-04
Roland Schulz
Merge "
F
i
x
ed b
u
g in free en
e
rgy calcu
l
ation for Morse
.
.
.
commit
|
commitdiff
|
tree
2012-06-28
Roland Schulz
Allow al
s
o Fin
d
MP
I
for
cmake
<
2
.
8
.
5
commit
|
commitdiff
|
tree
2012-06-28
Roland Schulz
Fix MPI build
f
or
MPI
l
ibrary witho
u
t mpi
w
rapp
e
r
commit
|
commitdiff
|
tree
2012-06-26
R
o
land Schul
z
Fix that rerunning cmake
g
ives the same res
u
lt
as 1
s
t run
commit
|
commitdiff
|
tree
2012-06-26
Roland
S
chulz
M
e
rge "F
i
x gmx
_
fatal fo
r
serial compilation
"
in
t
o rel
e
a
s
e-4-6
commit
|
commitdiff
|
tree
2012-06-24
Roland Schulz
Fix mdp_o
p
t
f
orma
t
ting o
f
expa
n
ded ensemble
commit
|
commitdiff
|
tree
2012-06-24
Roland Schulz
Remove
M
PI define for
FAH
commit
|
commitdiff
|
tree
2012-06-23
R
o
land S
c
hulz
Fi
x
ille
g
al usage of MPI_Com
m
_cr
e
ate
commit
|
commitdiff
|
tree
2012-06-20
Roland Schu
l
z
Fix g
m
x_
f
atal for
s
erial compila
t
i
on
commit
|
commitdiff
|
tree
2012-06-01
R
o
land Schulz
Me
r
ge relea
s
e-4-5-patches into release-4-6
commit
|
commitdiff
|
tree
2012-06-01
Roland
S
chulz
Replac
e
our f
f
tpack versi
o
n with Nump
y
's version
commit
|
commitdiff
|
tree
2012-05-27
Roland
S
chulz
Fi
x
editconf real-bool
misus
a
ge
commit
|
commitdiff
|
tree
2012-05-27
Roland Schu
l
z
Fix C
l
ang
3
.
1 warning
commit
|
commitdiff
|
tree
2012-05-25
Ro
l
and Schulz
M
a
ke load_vmd
_
library stat
i
c
commit
|
commitdiff
|
tree
2012-05-25
Rolan
d
Schulz
Made all vm
d
io headers pri
v
ate
commit
|
commitdiff
|
tree
2012-05-25
R
oland Schulz
Merge "fi
x
ed [dd] and
[
T
T
]
t
ypos
i
n documentation of
.
.
.
commit
|
commitdiff
|
tree
2012-05-23
Roland Sc
h
ulz
Fix that s
i
gaction mas
k
wasn't zeroe
d
commit
|
commitdiff
|
tree
2012-05-23
R
oland Schu
l
z
Code cl
e
anup to a
v
oid n
a
me col
l
isions
commit
|
commitdiff
|
tree
2012-05-22
R
oland
S
chulz
Use
E
x
ternal
BLAS/LAPACK by
default
commit
|
commitdiff
|
tree
2012-05-18
Rola
n
d Schulz
Renam
e
BOOL to EB
O
OL
commit
|
commitdiff
|
tree
2012-05-16
R
o
la
n
d
S
c
h
ul
z
Fixing
m
ore clang w
a
r
n
i
n
gs
commit
|
commitdiff
|
tree
2012-05-08
Roland Schul
z
Fixing m
o
re Clang warnings
commit
|
commitdiff
|
tree
2012-05-01
Ro
l
and Schulz
Fix Windows specific cmake hacks
commit
|
commitdiff
|
tree
2012-05-01
Roland Schulz
Merge "Disable OpenMP for llvm
-
gcc 4
.
2
.
x" in
t
o releas
e
-
4-
6
commit
|
commitdiff
|
tree
2012-04-30
Roland
S
ch
u
lz
Fix gmx
d
ump
e
rror intro
d
uced by 553d4b1369
commit
|
commitdiff
|
tree
2012-04-29
Rol
a
nd Sch
u
lz
Disable OpenMP
f
or llvm-gc
c
4
.
2
.
x
commit
|
commitdiff
|
tree
2012-04-29
Ro
l
and Schul
z
M
e
rge release-
4
-5
-
patches into r
e
lease-
4
-6
commit
|
commitdiff
|
tree
2012-04-29
Rolan
d
Sc
h
ulz
D
o
n't e
n
ab
l
e ASM
i
f n
o
asm kernel is selected
commit
|
commitdiff
|
tree
2012-04-29
Roland Schulz
Merge release-4-
5
-pa
t
ches into
r
elea
s
e-4-
6
commit
|
commitdiff
|
tree
2012-04-28
R
oland S
c
hulz
Fix srenew/sfr
e
e
_
aligned misuse
in PME
commit
|
commitdiff
|
tree
2012-04-27
Rola
n
d Schulz
Remove checks bas
e
d on Generator
commit
|
commitdiff
|
tree
2012-04-27
Ro
l
and Sc
h
ulz
Fix
f
or sigac
t
i
on
commit
|
commitdiff
|
tree
2012-04-22
Roland
S
chul
z
R
e
solvin
g
a c
o
u
p
le of
c
lang analyzer warni
n
g
s
commit
|
commitdiff
|
tree
2012-04-22
Roland Schulz
Merge "enable command line
optio
n
cheking in mdrun
.
.
.
commit
|
commitdiff
|
tree
2012-04-16
R
o
land Schulz
M
e
rg
e
"changed
d
e
fault fo
r
nstxou
t
, nstvo
u
t and ns
t
l
og
.
.
.
commit
|
commitdiff
|
tree
2012-04-16
Roland Schulz
Merg
e
"checkpoin
t
file
s
now co
n
t
a
in a
double pre
c
ision
.
.
.
commit
|
commitdiff
|
tree
2012-04-16
Rolan
d
S
chu
l
z
Restart IO operations when in
t
errupt
e
r
by signal
commit
|
commitdiff
|
tree
2012-04-11
Roland Schu
l
z
Fix that
d
i
rectory is not mistak
e
n for binar
y
commit
|
commitdiff
|
tree
2012-04-06
Roland Schulz
Fi
x
domain
d
ecom
p
ositi
o
n se
t
up
f
or >46k c
o
r
e
s
commit
|
commitdiff
|
tree
2012-04-03
Roland
S
c
h
ulz
Merge remot
e
-tracking branch
'
gerrit/release-
4
-
5
-p
a
tche
s
.
.
.
commit
|
commitdiff
|
tree
2012-04-03
Roland Schulz
M
erge "Fixes problems with g_msd and g_
e
ne
r
gy" into
.
.
.
commit
|
commitdiff
|
tree
2012-03-27
Rol
a
nd
Schu
l
z
R
e
s
olvi
n
g clang analyzer warnings in
a
nalysis
commit
|
commitdiff
|
tree
2012-03-26
Rolan
d
S
c
hu
l
z
W
a
rn when a val
u
e is
unused
commit
|
commitdiff
|
tree
2012-03-21
Roland Sc
h
ulz
Removing unused code
commit
|
commitdiff
|
tree
2012-03-20
R
ola
n
d Schulz
Fix incorrect fclose
u
sage
commit
|
commitdiff
|
tree
2012-03-16
R
oland
S
chulz
Merge release-4-5-pa
t
c
hes
i
n
to release-4-6
commit
|
commitdiff
|
tree
2012-03-15
Roland S
c
h
u
lz
Fix mos
t
errors found by cppcheck
commit
|
commitdiff
|
tree
2012-03-13
Roland Schu
l
z
Merge "mdrun -npme
w
ithout P
M
E
or with PD now gene
r
ates
.
.
.
commit
|
commitdiff
|
tree
2012-03-10
Rolan
d
Schulz
Activ
a
t
ing mo
r
e GCC war
n
ings
commit
|
commitdiff
|
tree
2012-03-10
Ro
l
and Schulz
Fix typo
in
C
l
a
ng CFlags
commit
|
commitdiff
|
tree
2012-03-09
Rola
n
d Sch
u
lz
Merge
"
I
m
prove Fi
n
dFFTW" int
o
rele
a
se-4-
6
commit
|
commitdiff
|
tree
2012-03-04
Roland Sch
u
lz
Minim
a
l
sup
p
o
r
t for Clang
commit
|
commitdiff
|
tree
2012-02-23
R
ola
n
d
Sc
h
ulz
Me
r
ge remote-trackin
g
branch
'
gerrit
/
release-4
-
5-patch
e
s
.
.
.
commit
|
commitdiff
|
tree
2012-02-21
Roland Schulz
Use G
i
t server (mirror) to avoid fetching
p
roblems
commit
|
commitdiff
|
tree
2012-02-15
Roland Schulz
Merge "Cmake: unite
FindFFTW3* i
n
to one fi
l
e"
into
.
.
.
commit
|
commitdiff
|
tree
2012-02-08
Ro
l
and Schulz
Merge
r
e
mote-
t
racking branch 'ger
r
it/release-4
-
5-patches
.
.
.
commit
|
commitdiff
|
tree
2012-02-05
Roland Sc
h
ulz
Fix ICC on Wind
o
ws Build
commit
|
commitdiff
|
tree
2012-02-03
R
oland Schulz
Mer
g
e remote-tracking branch 'g
e
rri
t
/release-4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Rolan
d
Schul
z
M
e
rges in
t
hreadin
g
b
ranch as one squashed commit
commit
|
commitdiff
|
tree
2012-01-31
R
o
l
and S
c
hulz
Revert "Fi
x
ICC on Windows
Build"
commit
|
commitdiff
|
tree
2012-01-31
Roland Sch
u
l
z
Append all ICC Perfo
r
mance
flags only
to
Relea
s
e Flag
s
commit
|
commitdiff
|
tree
2012-01-31
Roland
S
chul
z
F
i
x signed/uns
i
gned warnin
g
s
commit
|
commitdiff
|
tree
2012-01-31
Rol
a
nd Schulz
Fi
x
IC
C
on Windows B
u
ild
commit
|
commitdiff
|
tree
2012-01-25
Roland Schulz
Merge "
M
e
r
g
e relea
s
e-4-5-
p
atches int
o
r
elea
s
e-4-6"
.
.
.
commit
|
commitdiff
|
tree
2012-01-25
Roland Schulz
M
erge "New approach
for Ger
r
itBuild script" into release
.
.
.
commit
|
commitdiff
|
tree
2012-01-19
Ro
l
and
S
c
h
u
lz
M
e
r
ge
release-4-5-patches into release-4-
6
commit
|
commitdiff
|
tree
2012-01-18
Ro
l
and Schulz
New approach for Ger
r
itBuild s
c
r
i
pt
commit
|
commitdiff
|
tree
2012-01-18
Ro
l
and
Sch
u
lz
Revert "Replace std
e
rr
by stdout
in editco
n
f termin
a
l
.
.
.
commit
|
commitdiff
|
tree
2012-01-13
R
o
la
n
d Schulz
Merg
e
"Fix
e
d MSVC compiling
w
i
th plu
g
-
in support" into
.
.
.
commit
|
commitdiff
|
tree
2012-01-13
Rolan
d
S
chulz
Removing out
d
a
te
d
vs
i
te
c
o
mment
commit
|
commitdiff
|
tree
2012-01-08
Roland Schu
l
z
Check for VMD plu
g
in
s
that
t
hey are at least
a
bi-version 10
commit
|
commitdiff
|
tree
2011-12-27
Ro
l
and Schulz
Merge
"Adde
d
-dhd
l
to tpr
f
ile li
s
t,
f
ixes
#
855" into
.
.
.
commit
|
commitdiff
|
tree
2011-12-26
R
o
land S
c
h
ulz
Merge remote-trackin
g
branc
h
'gerrit/release-4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2011-12-20
Roland
Schulz
Merge
r
e
l
ease-4-5-patches into r
e
lease-4-6
commit
|
commitdiff
|
tree
2011-12-20
Ro
l
and S
c
hulz
Mer
g
e "Usin
g
MinSizeRel configuration and Release t
a
rg
e
t
.
.
.
commit
|
commitdiff
|
tree
2011-12-20
Rol
a
nd
S
chulz
Merge changes Iaf
4
c56b7
,
Ibabed87f into release-4-5
.
.
.
commit
|
commitdiff
|
tree
2011-12-15
Roland Schulz
Using
MinS
i
zeRel
c
onfiguration
a
nd Release target
on
.
.
.
commit
|
commitdiff
|
tree
2011-12-15
Roland Schu
l
z
Tes
t
ing
externa
l
BLAS/
L
APACK
commit
|
commitdiff
|
tree
2011-12-15
Rolan
d
Schulz
Usin
g
2 cores per
b
uild on W
i
n
dows
commit
|
commitdiff
|
tree
2011-12-14
R
o
l
and Schulz
Merge "R
e
-fixed stati
c
li
n
king of maths libraries u
n
d
e
r
.
.
.
commit
|
commitdiff
|
tree
2011-12-13
Rola
n
d
Sch
u
lz
Me
r
ge "Converted
macro u
s
age fo
r
readability" i
n
to
.
.
.
commit
|
commitdiff
|
tree
2011-12-13
Roland Schul
z
Merge "Relaxed some assumptions abou
t
trajectory times
.
.
.
commit
|
commitdiff
|
tree
2011-12-11
Rolan
d
Schulz
Merge release-
4
-5-patches int
o
release-4-
6
commit
|
commitdiff
|
tree
2011-12-11
Rolan
d
Sc
h
ulz
Merge "Set -DMPI
only if
c
ompiled for FAH" into rele
a
se
.
.
.
commit
|
commitdiff
|
tree
2011-12-11
Roland S
c
hulz
Se
t
-DMPI only i
f
compi
l
ed f
o
r
F
AH
commit
|
commitdiff
|
tree
2011-12-11
Roland
S
chulz
Fixing MSVC
unsigned/s
i
gned wa
r
ni
n
gs
commit
|
commitdiff
|
tree
2011-12-10
Roland S
c
hulz
R
un
t
ests also on Win
d
ows
commit
|
commitdiff
|
tree
2011-12-09
Rol
a
nd Schu
l
z
Only check t
h
o
se atoms for PBC which are p
a
rt of selection
.
.
.
commit
|
commitdiff
|
tree
2011-12-08
Roland Schulz
Merge "Added
a
n opt
i
on to easily compile contrib programs
.
.
.
commit
|
commitdiff
|
tree
2011-12-08
Rol
a
nd Schulz
Merge "Fix selection p
a
rsing in d
o
uble
p
r
e
c
ision
.
"
.
.
.
commit
|
commitdiff
|
tree
2011-12-08
Roland Schulz
Merge "Avo
i
d
possible w
a
r
nings if H
U
G
E_VAL != infinity
.
.
.
commit
|
commitdiff
|
tree
2011-12-03
Ro
l
and Schul
z
Remove RETSI
G
TYPE
.
C89 defi
n
es retur
n
valu
e
to be void
.
commit
|
commitdiff
|
tree
2011-12-03
Rola
n
d Schulz
Addi
n
g support
f
o
r
Windows buil
d
and different CM
a
ke
.
.
.
commit
|
commitdiff
|
tree
2011-12-03
R
o
l
a
nd Schulz
Adding support for Win
d
ow
s
build and differe
n
t
CMake
.
.
.
commit
|
commitdiff
|
tree
2011-11-30
R
o
land
Sc
h
ulz
Adding
Gerrit B
u
ild
d
e
s
c
ription
commit
|
commitdiff
|
tree
next