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Autogenerate gromacs.7 from programs.txt
2012-07-07
Roland Schulz
A
u
t
o
ge
n
erate gromacs
.
7 from pr
o
gr
a
m
s
.
tx
t
commit
|
commitdiff
|
tree
2012-07-06
Roland
S
ch
u
lz
Don'
t
prevent GMX_PREFER_STATIC_LIB
S
with BUILD_SHARED_LIBS
commit
|
commitdiff
|
tree
2012-07-05
Roland Schulz
Build man-pages instead o
f
distrib
u
ting them in the
.
.
.
commit
|
commitdiff
|
tree
2012-07-05
Ro
l
and Schulz
Don
'
t re
r
un checks and b
e
qu
i
et 2
n
d time cmake
i
s
run
commit
|
commitdiff
|
tree
2012-06-28
Roland Sch
u
lz
Allow
a
lso FindMPI f
o
r
c
make<2
.
8
.
5
commit
|
commitdiff
|
tree
2012-06-28
Rol
a
nd Schulz
Fix
M
PI build
for MPI libra
r
y with
o
u
t
mp
i
wrap
p
er
commit
|
commitdiff
|
tree
2012-06-26
Rola
n
d
S
chulz
Fix that reru
n
ning cmake gives th
e
same resul
t
as 1st run
commit
|
commitdiff
|
tree
2012-06-26
Roland Schulz
Merge "F
i
x
g
mx_fatal for serial compilation" into
r
elease-4-6
commit
|
commitdiff
|
tree
2012-06-24
R
o
land Sc
h
ul
z
Fix mdp_opt forma
t
ting of expanded ensemb
l
e
commit
|
commitdiff
|
tree
2012-06-24
Roland Schulz
Remove
MPI define
for FAH
commit
|
commitdiff
|
tree
2012-06-23
R
oland Schulz
Fix illegal usage of MPI_Comm_cre
a
te
commit
|
commitdiff
|
tree
2012-06-20
Roland Schul
z
Fi
x
gmx
_
fatal for seri
a
l compila
t
ion
commit
|
commitdiff
|
tree
2012-06-01
Rola
n
d Schulz
Merge release-4-5-p
a
tches into release-4-
6
commit
|
commitdiff
|
tree
2012-06-01
Roland Sc
h
ulz
Repl
a
ce our ff
t
p
ack ver
s
ion with
N
umpy's ver
s
ion
commit
|
commitdiff
|
tree
2012-05-27
Roland S
c
hulz
Fix
editconf rea
l
-bool mis
u
s
age
commit
|
commitdiff
|
tree
2012-05-27
Rolan
d
S
c
hulz
Fix
Clang 3
.
1
warning
commit
|
commitdiff
|
tree
2012-05-25
Roland S
c
hulz
Make load_vmd_li
b
rary static
commit
|
commitdiff
|
tree
2012-05-25
Rolan
d
Schulz
Mad
e
all vmdio headers
private
commit
|
commitdiff
|
tree
2012-05-23
R
o
land Schulz
Fix that sig
a
ct
i
on mask wasn't zeroed
commit
|
commitdiff
|
tree
2012-05-23
R
oland Schulz
Code cleanup to avoid
name collision
s
commit
|
commitdiff
|
tree
2012-05-22
R
o
land
Sc
h
ulz
Use Ext
e
rnal
BLAS/LAPACK by d
e
f
a
ult
commit
|
commitdiff
|
tree
2012-05-18
Ro
l
and Schulz
R
e
n
ame BOOL to EBOOL
commit
|
commitdiff
|
tree
2012-05-16
Roland Schulz
Fix
i
ng more clang warnings
commit
|
commitdiff
|
tree
2012-05-08
Roland
S
chulz
Fixing mo
r
e Clang warnings
commit
|
commitdiff
|
tree
2012-05-01
Rola
n
d
S
chulz
Fix Win
d
ow
s
specific cmake
h
a
cks
commit
|
commitdiff
|
tree
2012-05-01
Roland Schulz
M
erge "Disable OpenM
P
f
or llvm-gcc 4
.
2
.
x" into rel
e
as
e
-4
-
6
commit
|
commitdiff
|
tree
2012-04-30
Roland Schulz
Fix
g
mxdump error intr
o
duced by 553
d
4b1
3
69
commit
|
commitdiff
|
tree
2012-04-29
Roland Schu
l
z
Disa
b
l
e
OpenMP for llv
m
-gcc 4
.
2
.
x
commit
|
commitdiff
|
tree
2012-04-29
Rol
a
n
d Schulz
Merge r
e
leas
e
-
4
-
5-patches i
n
to
r
el
e
ase-4-6
commit
|
commitdiff
|
tree
2012-04-29
Roland S
c
hulz
Do
n
't enable AS
M
if no asm kerne
l
i
s selected
commit
|
commitdiff
|
tree
2012-04-29
Ro
l
and S
c
hulz
Merge release-4-5-
p
a
t
c
hes i
n
t
o
rele
a
se-4-6
commit
|
commitdiff
|
tree
2012-04-28
Ro
l
and
S
chulz
Fix srenew/sfree
_
ali
g
ned
m
isuse
in
PME
commit
|
commitdiff
|
tree
2012-04-27
Roland Sch
u
l
z
Remove chec
k
s based on Generator
commit
|
commitdiff
|
tree
2012-04-27
Roland Schu
l
z
Fix for
s
igaction
commit
|
commitdiff
|
tree
2012-04-22
R
oland Schulz
R
e
s
o
lvi
n
g a couple
o
f clang
analyze
r
warnings
commit
|
commitdiff
|
tree
2012-04-16
Roland Sc
h
ulz
Restart IO operat
i
o
n
s w
h
en interrupter b
y
signal
commit
|
commitdiff
|
tree
2012-04-11
Roland Sch
u
lz
Fix th
a
t
d
irectory is not mistaken for bin
a
ry
commit
|
commitdiff
|
tree
2012-04-06
R
oland Schulz
Fix domain de
c
o
mposition se
t
u
p
f
o
r
>4
6
k
c
ores
commit
|
commitdiff
|
tree
2012-04-03
R
o
land S
c
hulz
Merge remote-tra
c
k
i
ng br
a
nch 'ge
r
rit/rel
e
a
s
e-4
-
5-patches
.
.
.
commit
|
commitdiff
|
tree
2012-03-27
Ro
l
a
nd S
c
hulz
Resol
v
i
ng clan
g
a
nalyzer
w
arn
i
n
g
s in
a
nalysis
commit
|
commitdiff
|
tree
2012-03-26
Ro
l
and Schulz
W
a
rn when a value is u
n
used
commit
|
commitdiff
|
tree
2012-03-21
Ro
l
and Schulz
Removing unu
s
ed code
commit
|
commitdiff
|
tree
2012-03-20
Roland
Schulz
Fix incorrect fclo
s
e u
s
ag
e
commit
|
commitdiff
|
tree
2012-03-16
Rolan
d
S
c
hul
z
Merge rele
a
se
-
4-5-pat
c
hes into
r
elease-4-6
commit
|
commitdiff
|
tree
2012-03-15
Roland Schulz
Fix most
error
s
found
b
y cppche
c
k
commit
|
commitdiff
|
tree
2012-03-10
R
oland
Schul
z
Activating more
G
C
C
warnings
commit
|
commitdiff
|
tree
2012-03-10
Roland Schulz
F
i
x
typo in C
l
ang
C
F
lag
s
commit
|
commitdiff
|
tree
2012-03-04
Rol
a
nd Sc
h
ulz
Minimal support for Cl
a
ng
commit
|
commitdiff
|
tree
2012-02-23
Roland Schulz
Mer
g
e
r
emote-tr
a
cking branch 'ge
r
rit/release-4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2012-02-21
Roland Schul
z
Use
Gi
t
s
e
r
v
er (mirror) to avo
i
d
f
etching pro
b
lem
s
commit
|
commitdiff
|
tree
2012-02-08
Roland Schulz
Merge r
e
m
o
te-t
r
acking branch 'ge
r
r
i
t/release-4-5
-
patches
.
.
.
commit
|
commitdiff
|
tree
2012-02-05
Rola
n
d Schulz
Fix ICC on Windows Build
commit
|
commitdiff
|
tree
2012-02-03
Roland Schulz
Merge remote-
t
ra
c
king bra
n
ch
'gerrit/releas
e
-4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Rolan
d
Schulz
M
erges in thread
i
ng branch as one squashed c
o
mmi
t
commit
|
commitdiff
|
tree
2012-01-31
Roland Sc
h
ulz
Append
all
I
CC Performa
n
c
e flags
only to R
e
lease Flags
commit
|
commitdiff
|
tree
2012-01-31
Roland
S
chulz
Fix signe
d
/unsi
g
ned warnings
commit
|
commitdiff
|
tree
2012-01-31
Roland Schulz
Fix
ICC on W
i
ndows Build
commit
|
commitdiff
|
tree
2012-01-25
Roland Schul
z
M
erge "Merge release-4-5-pat
c
hes into rele
a
se-4-6"
.
.
.
commit
|
commitdiff
|
tree
2012-01-25
Roland Schul
z
Merge
"
New approach for
G
e
rritBuild script" into r
e
lea
s
e
.
.
.
commit
|
commitdiff
|
tree
2012-01-19
Rol
a
nd Schulz
Merge release-4-5-patches
i
n
to
r
el
e
ase-4-6
commit
|
commitdiff
|
tree
2012-01-18
Roland
S
c
hulz
New
a
ppro
a
ch for GerritBuild script
commit
|
commitdiff
|
tree
2012-01-13
Rolan
d
Sc
h
ulz
Removi
n
g outdated vsite comment
commit
|
commitdiff
|
tree
2012-01-08
Roland Schulz
Check
f
or
VM
D
plug
i
ns tha
t
they are at least abi-version
1
0
commit
|
commitdiff
|
tree
2011-12-26
Roland Schulz
Merge re
m
ote-tracking branch 'gerrit/rel
e
as
e
-4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2011-12-20
Rola
n
d
S
chulz
Me
r
ge
r
elease-4-5-patches
i
n
to re
l
e
a
s
e-
4
-6
commit
|
commitdiff
|
tree
2011-12-20
Roland Schulz
M
er
g
e "U
s
i
n
g
M
inSizeRe
l
confi
g
uratio
n
and
R
elease t
a
rget
.
.
.
commit
|
commitdiff
|
tree
2011-12-20
Rolan
d
Sc
h
ulz
Mer
g
e changes Ia
f
4c56b7,Ibabed87f into rele
a
se-4-5
.
.
.
commit
|
commitdiff
|
tree
2011-12-15
R
o
land
S
c
hulz
Using MinSi
z
eRe
l
configur
a
t
i
on and Release
target on
.
.
.
commit
|
commitdiff
|
tree
2011-12-15
Roland
S
c
hu
l
z
Testing extern
a
l BLAS/L
A
P
ACK
commit
|
commitdiff
|
tree
2011-12-15
Roland Schul
z
Using 2 cores pe
r
build
o
n Windows
commit
|
commitdiff
|
tree
2011-12-11
Roland Schulz
Merge release-
4
-5-patches int
o
rel
e
ase-4-6
commit
|
commitdiff
|
tree
2011-12-11
Rol
a
nd
S
chulz
Merge
"Set -DMPI o
n
ly if compile
d
f
or
FAH"
into release
.
.
.
commit
|
commitdiff
|
tree
2011-12-11
Rol
a
n
d
Sc
h
ulz
S
e
t
-DMPI o
n
l
y
if
compiled for
FAH
commit
|
commitdiff
|
tree
2011-12-11
Roland
S
chulz
Fixi
n
g MSVC
unsig
n
ed/signed wa
r
ni
n
gs
commit
|
commitdiff
|
tree
2011-12-10
Roland Schulz
R
u
n tests also on Windows
commit
|
commitdiff
|
tree
2011-12-09
Ro
l
and Schulz
Only check t
h
ose atoms fo
r
PB
C
which
a
re
p
art o
f
sele
c
tion
.
.
.
commit
|
commitdiff
|
tree
2011-12-08
Roland
S
chulz
Merg
e
"Added an o
p
tion to easily compile contrib programs
.
.
.
commit
|
commitdiff
|
tree
2011-12-03
Roland
Schulz
Remove RETS
I
G
T
YPE
.
C89 defines return value t
o
be void
.
commit
|
commitdiff
|
tree
2011-12-03
Rol
a
nd Schulz
Addin
g
support for Windows build and d
i
fferent CMake
.
.
.
commit
|
commitdiff
|
tree
2011-12-03
R
oland Schulz
A
dding
s
up
p
ort fo
r
Wind
o
ws bu
i
ld an
d
differe
n
t CMake
.
.
.
commit
|
commitdiff
|
tree
2011-11-30
Roland S
c
hulz
Adding
Gerrit Bu
i
ld description
commit
|
commitdiff
|
tree
2011-11-30
Rolan
d
S
c
hul
z
Ad
d
i
n
g G
e
rrit Build description
commit
|
commitdiff
|
tree
2011-11-30
Roland Sc
h
ulz
Removi
n
g TestBuildAll test
commit
|
commitdiff
|
tree
2011-11-30
Rola
n
d Schulz
Merge
"
Me
r
ge remote
-
tr
a
cking
b
ranch '
g
e
r
rit/rel
e
ase
.
.
.
commit
|
commitdiff
|
tree
2011-11-28
Ro
l
and
S
c
h
ul
z
Fix
F
FTW
A
PI u
s
age
commit
|
commitdiff
|
tree
2011-11-27
Roland
S
c
h
ulz
Merge "F
i
xes incon
s
istent spelling of Git cmake
varia
b
les
.
.
.
commit
|
commitdiff
|
tree
2011-11-27
Ro
l
and
S
chulz
M
e
rge rem
o
te-tra
c
king
b
ranc
h
'gerrit/relea
s
e-4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2011-11-27
R
oland Schul
z
M
e
rge
"
C
l
eaning up
so
m
e bad
c
oding practices" into
.
.
.
commit
|
commitdiff
|
tree
2011-11-27
Rola
n
d Schulz
Merge "Ini
t
ialize var
i
a
ble
s
to
make GCC
4
.
6 not compl
a
in
.
.
.
commit
|
commitdiff
|
tree
2011-11-27
Roland Sc
h
ulz
Remo
v
ing TestBui
l
dA
l
l test
commit
|
commitdiff
|
tree
2011-11-25
Rola
n
d Schulz
Cleaning up some bad coding practi
c
es
commit
|
commitdiff
|
tree
2011-11-25
R
oland Sc
h
ulz
Fixes incon
s
i
stent spelling of Git cm
a
k
e
va
r
iables
commit
|
commitdiff
|
tree
2011-11-24
Roland Schulz
Initialize variables
to make GCC 4
.
6 not comp
l
a
in
commit
|
commitdiff
|
tree
2011-11-23
Roland Schulz
Added
an opt
i
on
t
o
easily co
m
p
i
l
e contr
i
b pr
o
gr
a
ms
.
.
.
commit
|
commitdiff
|
tree
2011-10-14
Roland Sc
h
ulz
c
a
ll to gmx_mtop_
g
ener
a
te_
l
o
cal_top is
o
nly r
e
quired
.
.
.
commit
|
commitdiff
|
tree
2011-10-11
R
o
lan
d
S
c
hu
l
z
Fixes MPI_GROU
P
_EMPTY for tMPI
commit
|
commitdiff
|
tree
2011-10-05
Roland Schulz
Only cr
e
a
te group if part of load
commu
n
icator and
.
.
.
commit
|
commitdiff
|
tree
2011-08-10
Rol
a
nd Schulz
Make s
u
re that ftell works
c
o
r
r
e
ctly for files open
e
d
.
.
.
commit
|
commitdiff
|
tree
2011-05-15
Roland Sc
h
ulz
correc
t
ed typo: if(errno=EINVAL)
commit
|
commitdiff
|
tree
2010-11-08
Roland
S
c
hulz
makin
g
error
m
essage for v
m
d
io clearer (
b
u
g 598)
commit
|
commitdiff
|
tree
next