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Clarify the GMX_BUILD_MDRUN_ONLY full testing instructions.
2020-10-08
M
.
E
ric Irr
g
ang
Clarif
y
the G
M
X
_BU
I
LD_MDRUN_ONLY
f
ull test
i
ng
ins
t
r
u
c
t
ions
.
commit
|
commitdiff
|
tree
2020-10-07
M
.
Eric
Irrgang
Impro
v
e gmxPy
t
honDis
c
overy
.
cmake
commit
|
commitdiff
|
tree
2020-10-01
M
.
Eric Ir
r
ga
n
g
Use
u
pd
a
te
d
i
m
ages for Pyth
o
n CI jobs
.
commit
|
commitdiff
|
tree
2020-09-14
M
.
Eric Irrgang
Create
a
n
d
use Sim
u
la
t
ionInp
u
t module
.
commit
|
commitdiff
|
tree
2020-09-09
M
.
Eric Irrga
n
g
Explic
i
t
l
y include STL headers used in test
.
commit
|
commitdiff
|
tree
2020-09-07
M
.
Eric Irrgang
R
eplace filename-based init
i
alization funct
i
ons
.
commit
|
commitdiff
|
tree
2020-08-27
M
.
Eric Irrga
n
g
Use a
he
a
p object for
i
n
putr
e
c in gmx::Mdr
u
nner::mdrunn
e
r()
.
commit
|
commitdiff
|
tree
2020-07-29
M
.
Eric I
r
rgang
Use GMXAPI CMake optio
n
gu
a
rd fo
r
gmxapi target de
c
larat
i
on
.
commit
|
commitdiff
|
tree
2020-07-11
M
.
E
r
ic
I
rrgang
Fix libgr
o
m
acs CMake
t
arget i
n
stall syntax
.
commit
|
commitdiff
|
tree
2020-07-01
M
.
Eric
I
rrgan
g
C
lean up simula
t
orbuil
d
er
.
h
commit
|
commitdiff
|
tree
2020-05-29
M
.
Eri
c
Irrgang
Handle ar
b
itra
r
y
dox
y
gen
v
ersions in
D
ocke
r
image
b
uild
.
.
.
commit
|
commitdiff
|
tree
2020-05-26
M
.
Eric Ir
r
gang
Normali
z
e gmxapi
r
elated release-202
0
job logic
.
commit
|
commitdiff
|
tree
2020-05-25
M
.
Eric Irrgang
R
educe
c
onsole log o
u
t
p
ut from sa
m
ple_restrain
t
tests
.
commit
|
commitdiff
|
tree
2020-05-14
M
.
Eric Irrgang
Reduce con
s
ole log output from sample
_
restraint tests
.
commit
|
commitdiff
|
tree
2020-05-12
M
.
Eric Ir
r
g
a
ng
Re
f
i
n
e
usage of *job
:
tags* p
a
rameter
.
commit
|
commitdiff
|
tree
2020-04-27
M
.
Er
i
c Irrga
n
g
Resolve stati
c
analyze
r
warni
n
gs from google tests
.
commit
|
commitdiff
|
tree
2020-04-27
M
.
Eric Irrgang
Av
o
id tempora
r
y strings
.
commit
|
commitdiff
|
tree
2020-04-24
M
.
E
r
ic Irrgang
Upda
t
e bundled py
b
ind
.
commit
|
commitdiff
|
tree
2020-04-23
M
.
E
r
ic
I
rr
g
an
g
Use C
M
ak
e
3
.
12+ faciliti
e
s for
detecting Python
.
commit
|
commitdiff
|
tree
2020-04-14
M
.
Eric
Irr
g
ang
Fix invalid gi
t
lab-ci
.
yml
commit
|
commitdiff
|
tree
2020-04-09
M
.
Eric
Irrgang
Allow useful CI
to run in
f
orks
commit
|
commitdiff
|
tree
2020-04-07
M
.
E
r
ic Irrgang
Prepare Python environments for GitLab CI pipeline
.
commit
|
commitdiff
|
tree
2020-04-03
M
.
E
r
ic Irrga
n
g
Imp
r
ov
e
gmx
a
p
i Pytho
n
package de
p
ende
n
cy r
e
sol
u
tion
.
commit
|
commitdiff
|
tree
2020-04-03
M
.
Eric Ir
r
gang
Prune change-manag
e
ment
.
rst
and up
d
ate li
n
ks
.
commit
|
commitdiff
|
tree
2020-04-02
M
.
Er
i
c Irrgang
Modern
i
ze some Python
s
ubprocess calls
.
commit
|
commitdiff
|
tree
2020-03-31
M
.
Eric I
r
rgang
Prepare Python environ
m
ents f
o
r GitLab C
I
pip
e
line
.
commit
|
commitdiff
|
tree
2020-03-31
M
.
Eric
I
rrgang
Update scr
i
pts for
a
l
l
of
t
he reques
t
ed pr
e
-
com
m
it
.
.
.
commit
|
commitdiff
|
tree
2020-03-30
M
.
Eric Irrgang
Require Python 3
.
6
.
commit
|
commitdiff
|
tree
2020-03-27
M
.
Eric Irrga
n
g
Compartmentalize hpccm build
s
tages
.
commit
|
commitdiff
|
tree
2020-03-27
M
.
E
r
i
c I
r
r
g
a
n
g
Be frie
n
dlie
r
w
.
r
.
t
.
l
i
nkchecker
.
commit
|
commitdiff
|
tree