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Test clang on ARM in nightly matrix
2016-05-08
T
e
emu Murto
l
a
Support
f
or OpenCL CI builds
commit
|
commitdiff
|
tree
2016-05-05
T
e
e
mu Mu
r
tol
a
M
e
rg
e
branch release-5-1
commit
|
commitdiff
|
tree
2016-05-05
Teemu Murtola
Make Sphinx build silent for version 1
.
3+
commit
|
commitdiff
|
tree
2016-05-03
Teemu Murtola
Mar
k
o
ptional input/output files in
gmx order
commit
|
commitdiff
|
tree
2016-04-28
T
ee
m
u Murtola
U
s
e
HardwareT
o
polog
y
t
o
set
n
t
hreads_hw_avail
commit
|
commitdiff
|
tree
2016-04-28
Teemu Mur
t
ola
Remove gmx_hw_info_
t
::ncore
commit
|
commitdiff
|
tree
2016-04-27
Teemu Murtola
Improve re
l
e
ase workflow tes
t
ing
commit
|
commitdiff
|
tree
2016-04-27
Teemu
M
urtola
Dis
a
b
l
e mult
i
ple ranks for non-MPI uni
t
tests
commit
|
commitdiff
|
tree
2016-04-27
T
eemu
M
urtola
Fi
x
issues w
i
th f
a
iling th
r
ead a
f
finity set
t
ing
commit
|
commitdiff
|
tree
2016-04-27
Teemu Murtola
M
erge
"Mer
g
e branch
r
elease-5-1"
commit
|
commitdiff
|
tree
2016-04-18
Te
e
mu M
u
rtola
Make thre
a
d a
f
finit
y
failures always en
d
u
p
in lo
g
commit
|
commitdiff
|
tree
2016-03-30
Teemu
Murtola
Make includesort
e
r
.
py work w
i
th Doxy
g
en
1
.
8
.
10+
commit
|
commitdiff
|
tree
2016-03-30
Tee
m
u Murtola
Fix err
o
r reporting for documen
t
ation
b
u
ild
commit
|
commitdiff
|
tree
2016-03-28
Teemu Murtola
Mo
r
e
support for release w
o
r
k
flow
commit
|
commitdiff
|
tree
2016-03-26
T
e
emu Murtola
Ign
o
r
e
em
p
t
y GMXLIB
commit
|
commitdiff
|
tree
2016-03-14
Teemu Murt
o
la
Add tests fo
r
empty strin
g
s in refdata
commit
|
commitdiff
|
tree
2016-03-13
Tee
m
u Mu
r
t
ola
S
u
pport replaci
n
g
s
olven
t
in i
n
sert-molecules
commit
|
commitdiff
|
tree
2016-02-01
Te
e
mu Murtola
Handle
p
d
b
i
nfo
i
n
Atom
s
Builder
commit
|
commitdiff
|
tree
2016-01-28
Te
e
mu Murtola
U
pdate build s
c
ripts to releng changes
commit
|
commitdiff
|
tree
2016-01-24
T
e
emu Murtola
D
o
cument limitation
s
on 32-bit Linux
commit
|
commitdiff
|
tree
2016-01-12
Teemu Murtola
Make GMX_MP
I
always defi
n
ed
t
o 0/1
commit
|
commitdiff
|
tree
2016-01-12
Tee
m
u Murtola
Move flags out of t_trxframe
commit
|
commitdiff
|
tree
2016-01-12
T
e
emu Murtola
Remove
h
isto
r
ical times
f
rom t
_
tr
x
fr
a
me
commit
|
commitdiff
|
tree
2016-01-12
Teemu
Murtola
Suppor
t
p
a
ssing tarball MD5 for
w
ebpage bui
l
d
commit
|
commitdiff
|
tree
2016-01-12
Teemu Murtola
Remove vm
d
pl
u
gin
fro
m
t_t
r
xfra
m
e
commit
|
commitdiff
|
tree
2016-01-11
Teemu
Murtola
C
o
n
v
ert mo
r
e config
.
h
defines to
0
/1
commit
|
commitdiff
|
tree
2016-01-10
T
eemu Murtola
Support trajectory analy
s
i
s with any atom subset
commit
|
commitdiff
|
tree
2016-01-10
Teemu Mur
t
ola
Support fram
e
s
wit
h
a
tom subs
e
ts in select
i
ons
commit
|
commitdiff
|
tree
2016-01-10
Teemu M
u
rt
o
la
S
upport arbitrary su
b
set
traje
c
tories in poscalc
.
*
commit
|
commitdiff
|
tree
2016-01-10
T
e
e
m
u Murtola
M
ake
file names
i
n fatal error messages more robust
commit
|
commitdiff
|
tree
2016-01-10
T
e
emu Murtola
Do no
t
warn ab
o
ut mis
s
i
n
g O
p
enMP
w
ith
GMX_GPU=OFF
commit
|
commitdiff
|
tree
2016-01-10
Teemu
Mu
r
tola
More
config
.
h macros to 0
/
1
commit
|
commitdiff
|
tree
2016-01-10
Te
e
m
u Murt
o
l
a
Conver
t
s
o
m
e config
.
h macros to u
s
e 0/1
commit
|
commitdiff
|
tree
2016-01-05
Teemu Mu
r
t
o
l
a
Update packaging bu
i
ld
commit
|
commitdiff
|
tree
2015-12-31
T
e
emu M
u
r
tola
Report us
e
d defines in check-source
commit
|
commitdiff
|
tree
2015-12-29
Tee
m
u M
u
rtola
Packaging build script for
web site
commit
|
commitdiff
|
tree
2015-12-29
T
e
em
u
Murtola
Redu
c
e
inputrec
.
h dependencies
commit
|
commitdiff
|
tree
2015-12-27
Teemu Murtola
Impr
o
ve text wri
t
ing in
help output
commit
|
commitdiff
|
tree
2015-12-27
T
e
emu Murto
l
a
S
o
u
rce
p
ackagi
n
g with new releng
commit
|
commitdiff
|
tree
2015-12-27
Teemu Murtola
Further vec
.
h cleanup
commit
|
commitdiff
|
tree
2015-12-26
Teemu M
u
rto
l
a
Clean u
p
ve
c
.
h
commit
|
commitdiff
|
tree
2015-12-24
Teemu
Murtola
Add
f
uncti
o
nal
i
ty
t
o TextWrite
r
commit
|
commitdiff
|
tree
2015-12-20
Tee
m
u Murto
l
a
Fix mo
s
t warning
s
w
i
th
D
oxy
g
en 1
.
8
.
1
0
commit
|
commitdiff
|
tree
2015-12-19
Tee
m
u Mur
t
ola
Upda
t
e versi
o
ning for n
e
w
sch
e
m
e
commit
|
commitdiff
|
tree
2015-12-16
Teemu Murtol
a
Move calcgrid
.
* to f
f
t/
commit
|
commitdiff
|
tree
2015-12-15
T
e
emu Mu
r
tola
Move
main
.
*, s
p
l
itte
r
.
*,
g
m
x_
o
mp_nthreads
.
*
t
o mdlib
commit
|
commitdiff
|
tree
2015-12-15
Teemu M
u
rtola
Move readin
p
.
* an
d
warninp
.
* to filei
o
/
commit
|
commitdiff
|
tree
2015-12-15
T
eemu Mu
r
tola
Move hardw
a
r
e dete
c
tion to hardware/
commit
|
commitdiff
|
tree
2015-12-15
T
e
em
u
Murtola
Move so
m
e
mdrun code ou
t
of gmxlib/
commit
|
commitdiff
|
tree
2015-12-15
Teem
u
M
urtola
Move gpu_
u
t
i
l
s etc
.
out of gm
x
lib
commit
|
commitdiff
|
tree
2015-12-14
Teemu Murtola
In
s
t
a
ll basevers
i
on
.
h
commit
|
commitdiff
|
tree
2015-12-12
Teemu Murtola
Cre
a
te separate module for trajectory data
commit
|
commitdiff
|
tree
2015-12-12
T
eemu
M
u
r
tola
Move disre
.
*
and ori
r
es
.
* to
l
is
t
ed-forces
/
commit
|
commitdiff
|
tree
2015-12-12
Teemu
Murto
l
a
Move
i
func
.
* to
t
o
pology/
commit
|
commitdiff
|
tree
2015-12-12
T
eemu
Mur
t
ola
M
ove put_atoms
_
in_box_omp() to sim_util
.
*
commit
|
commitdiff
|
tree
2015-12-12
Teemu Mu
r
tol
a
R
e
m
o
v
e
topology
-
>
file
i
o d
e
p
end
e
ncy
commit
|
commitdiff
|
tree
2015-12-11
Teemu Murtola
Merge "M
e
rge branch 'origin/rel
e
ase
-
5-1'"
commit
|
commitdiff
|
tree
2015-12-09
Teemu
Mu
r
tola
Sp
l
it tx
t
d
u
mp
.
*, part 2
commit
|
commitdiff
|
tree
2015-12-09
T
e
emu Murto
l
a
Split txtdump
.
*, part 1
commit
|
commitdiff
|
tree
2015-12-03
Tee
m
u
Murt
o
l
a
Move strdb
.
* to utility/
commit
|
commitdiff
|
tree
2015-12-03
Teemu
M
urtola
Mo
v
e f
i
l
e
nm
.
* to
c
omma
n
dli
n
e
commit
|
commitdiff
|
tree
2015-12-02
Teemu M
u
r
to
l
a
Split fi
l
enm
.
*
commit
|
commitdiff
|
tree
2015-11-30
Teemu Murto
l
a
Remove
topology -> mdtypes
depe
n
d
e
ncy
commit
|
commitdiff
|
tree
2015-11-30
Tee
m
u Murtola
R
emove obsolete references to le
g
acyheaders/
commit
|
commitdiff
|
tree
2015-11-30
T
e
emu M
u
rtola
Merge remaining legacyheaders/types/ to mdtyp
e
s/
commit
|
commitdiff
|
tree
2015-11-30
Teemu Murt
o
la
Mov
e
ifunc
.
h t
o
gmxl
i
b
commit
|
commitdiff
|
tree
2015-11-30
T
e
emu Murt
o
la
Move force_flags
.
h to
m
dlib/
commit
|
commitdiff
|
tree
2015-11-30
Teemu
M
urto
l
a
libg
r
omac
s
C
M
a
k
e source file managem
e
nt cleanu
p
commit
|
commitdiff
|
tree
2015-11-30
Teemu Murtola
Move hardware i
n
fo structs to
hardware/
commit
|
commitdiff
|
tree
2015-11-30
Teemu Murtola
Clean
up some selection c
o
de
commit
|
commitdiff
|
tree
2015-11-23
Teem
u
Murtola
Move precisio
n
detection symbols to ba
s
eversion
.
*
commit
|
commitdiff
|
tree
2015-11-22
Teemu Murtola
Remove correlationfunctions
-
> mdtypes de
p
en
d
en
c
y
commit
|
commitdiff
|
tree
2015-11-21
T
e
emu Murtola
Use
v
.
data() inst
e
ad
o
f
&v[0]
f
or C intero
p
commit
|
commitdiff
|
tree
2015-11-15
Teemu
M
urto
l
a
A
dd EnumOption wi
t
h
support for proper enum
t
y
pe
s
commit
|
commitdiff
|
tree
2015-11-15
Tee
m
u
M
u
rtola
Fix reporti
n
g of un
u
s
ed c
y
cle suppressions
commit
|
commitdiff
|
tree
2015-11-14
Teemu
M
urtola
Move network
.
h to
g
m
xlib/
commit
|
commitdiff
|
tree
2015-11-14
Teemu
M
urtol
a
Mo
v
e gmx_ga2la
.
h to
d
omd
e
c
/
commit
|
commitdiff
|
tree
2015-11-13
Teemu
Murt
o
la
Remove t_commrec depend
e
ncy from cmdline
i
n
it
.
c
pp
commit
|
commitdiff
|
tree
2015-11-13
Teem
u
Murtol
a
Move gmx_detect
_
hardware
.
h t
o
gmxl
i
b/
commit
|
commitdiff
|
tree
2015-11-13
Teemu Mu
r
tola
Mov
e
n
onbonde
d
.
h to
gmx
l
ib/no
n
bonded/
commit
|
commitdiff
|
tree
2015-11-13
Te
e
mu Murtola
Let users build without compile
r
wa
r
nings
commit
|
commitdiff
|
tree
2015-11-13
T
e
e
mu Murtola
Merge types/nsgrid
.
h into
n
sgrid
.
h
commit
|
commitdiff
|
tree
2015-11-13
Teemu Murtola
Report
unused cycle
s
u
p
pressions
commit
|
commitdiff
|
tree
2015-11-11
Teemu Murtola
Su
p
port in
s
pecting exp
e
c
ted error messages in
t
ests
commit
|
commitdiff
|
tree
2015-11-11
Teem
u
Murtola
Rem
o
ve bui
l
d
s
y
ste
m
for boost
commit
|
commitdiff
|
tree
2015-11-10
Teemu Murt
o
la
Remove
remaining bo
o
st dependen
c
i
e
s
commit
|
commitdiff
|
tree
2015-11-07
Teemu Mu
r
t
o
la
Remove mi
s
c
.
co
p
y
r
i
t
e
.
h
function
s
commit
|
commitdiff
|
tree
2015-11-07
T
eemu Mu
r
t
o
l
a
M
o
ve gmx_omp_nthreads
.
h and gmx_
t
hread_a
f
fi
n
ity
.
h to
.
.
.
commit
|
commitdiff
|
tree
2015-11-06
T
e
emu Murtola
Move PBC enums to
p
bc
.
*
commit
|
commitdiff
|
tree
2015-11-06
Teemu Murtola
Move
ns
.
h and nsgrid
.
h to mdlib/
commit
|
commitdiff
|
tree
2015-11-06
Teem
u
Murtola
Move
for
c
e
.
h
a
nd vs
i
te
.
h
into mdlib/
commit
|
commitdiff
|
tree
2015-11-05
Teemu Murtola
M
o
ve
t
ype
s
/rgb
.
h to file
i
o/
commit
|
commitdiff
|
tree
2015-11-04
Teemu Murtol
a
M
erge "Merge
b
ranch r
e
lea
s
e-5-1"
commit
|
commitdiff
|
tree
2015-11-03
Teem
u
Murtola
Update buil
d
sc
r
ip
t
s to
m
atch
r
e
l
en
g
r
e
f
actoring
commit
|
commitdiff
|
tree
2015-11-02
T
e
emu Murtola
Replace boo
s
t::except
i
on_pt
r
with std::e
x
ception
_
ptr
commit
|
commitdiff
|
tree
2015-11-01
Tee
m
u Murt
o
l
a
Remo
v
e remain
i
ng
s
co
p
ed_p
t
rs
commit
|
commitdiff
|
tree
2015-11-01
Teem
u
M
u
rto
l
a
Remove more scoped_ptr
uses
commit
|
commitdiff
|
tree
2015-10-28
T
e
emu Murtola
Remove un
u
sed Tr
a
jectoryAnalysisMod
u
le
code
commit
|
commitdiff
|
tree
2015-10-27
T
e
e
mu Murt
o
la
Add
i
tional checks for
selection input
commit
|
commitdiff
|
tree
2015-10-26
Teemu Mur
t
o
l
a
Re
m
ove some bo
o
st::
s
cop
e
d_ptr uses
commit
|
commitdiff
|
tree
next