1.
First
Workshop
on
Maintainable
So3ware
Prac7ces
in
e-­‐Science
Neil
Chue
Hong
So3ware
Sustainability
Ins7tute
Jennifer
Schopf
IEEE
Computer
Society
hDp://www.so3ware.ac.uk/maintainable-­‐so3ware-­‐prac7ce-­‐workshop

2.
Published
online
13
October
2010
|
Nature
467,
775-­‐777
(2010)
doi:10.1038/467775a

3.
Stopping
errors
before
they
maDer
• Errors
unchecked
in
code
cause
retrac7ons
• Chang
–
Protein
Structure
– Error
in
data
analysis
code
flipped
two
columns
of
inver7ng
electron
density
map
– Science
22
December
2006:
Vol.
314
no.
5807
pp.
1856-­‐1857
DOI:
10.1126/science.
314.5807.1856
• Bertoia
–
Hypertension
– Error
in
code
led
to
doubling
of
sample
size
and
significantly
different
es7mates
– Hypertension.
2012;60:e29,
published
online
before
print
August
6
2012,
doi:
10.1161/HYP.0b013e318269bc7a

4.
Ensuring
so3ware
is
maintained
• OU
Knowledge
Network
– All
funding
stopped
a3er
8
years,
with
11,000
ac7ve
users
–
s7ll
available
• Atmospheric
Model
– Upgrades
to
hardware
meant
so3ware
did
not
run
–
took
effort
to
address
So3ware
Preserva7on
Benefits
Framework:
hDp://www.so3ware.ac.uk/aDach/So3warePreserva7onBenefitsFramework.pdf

5.
A
typical
e-­‐Science
project
organisa7on?
Steering
Group
InvesJgators
Project
Managers
10
partners
Researchers
Developers
Students

6.
Topics
of
Interest
• So3ware
engineering
and
so3ware
product
management
best
prac7ce
as
applied
to
e-­‐Science
and
computa7onal
science
• Community
development,
collabora7ve
development,
and
widening
adop7on
• Licensing,
funding,
and
business
models
for
eScience
and
research
so3ware
• Managing
governance
and
organisa7onal
change
during
the
so3ware
lifecycle
• Measuring
and
analysing
the
impact
of
so3ware
and
so3ware
processes
• So3ware
aDribu7on,
cita7on,
and
credit
• Interac7on
between
researchers,
developers
and
stakeholders
• Transferable
so3ware
prac7ces
from
industry

7.
Agenda
–
morning
Communi7es
and
Prac7ces
• 09:00
Introduc7on
to
the
Workshop
• 09:30
Sustainable
So3ware
for
Computa7onal
Chemistry
and
Materials
Modeling
• 10:00
Break
• 10:30
Adop7on
of
So3ware
by
a
User
Community:
The
Montage
Image
Mosaic
Engine
Example
• 11:00
On
Realizing
the
Concept
Study
ScienceSo3
of
the
European
Middleware
Ini7a7ve
-­‐
OpenSo3ware
for
Open
Science
• 11:30
The
Rela7onship
Between
Development
Problems
and
Use
of
So3ware
Engineering
Prac7ces
in
Computa7onal
Science
• 12:00
Lunch

8.
Agenda
–
a3ernoon
Models
and
Methods
• 13:30
libHPC:
So3ware
sustainability
and
reuse
through
metadata
preserva7on
• 14:00
Overview
of
the
TriBITS
Lifecycle
Model
• 14:30
IPOL:
Reviewed
Publica7on
and
Public
Tes7ng
of
Research
So3ware
Debate
introduc7on
• 15:00
Break
• 15:30
Culture
Change
debate:
"What
can
we
do
to
change
the
status
quo?
Should
we
do
this?”
• 17:00
Close

9.
Area
of
Interest
from
Audience
• Prac7ces
and
models
• Mixed
industry/academic
projects
• Portability
across
heterogeneous
• Integra7on
of
so3ware
plalorms
components
• Ways
of
reducing
complexity
• Sustaining
so3ware
on
liDle
• Recording
informa7on
on
money
so3ware
structure
• So3ware
engineering
applied
to
• Making
so3ware
verifiable
computa7onal
science
• Building
communi7es
around
• Is
there
a
life
beyond
public
so3ware
funding
(e.g.
for
dCache)?
• Cultural
issues
in
organisa7ons
• So3ware
+
data
preserva7on
for
• Collabora7on
between
10
years
usage
(e.g.
Tevatron)
ins7tu7ons
and
countries
• Taking
responsibility
for
orphaned
• Meta-­‐issues
of
so3ware
across
so3ware
(e.g.
for
OSG)
science
and
social
science
• Understanding
what
so3ware’s
been
funded
and
what’s
happened
to
it?

10.
Culture
Change
Discussion
• Goals
– Understand
what
are
the
key
barriers
to
culture
change
with
respect
to
so3ware
in
research
– Understand
who
and
what
needs
to
change,
to
change
the
status
quo
– Record
the
studies,
examples,
prac7ces
and
models
that
the
workshop
par7cipants
agree
should
be
highlighted

11.
Ques7ons
1 What
are
the
basic
so3ware
skills
and
understanding
every
scien7st
needs?
– Beverly
Sanders
et
al.
2 Life
beyond
public
grant
funding
–
what
happens
next?
– Bruce
Berriman,
Michael
McLennan,
Jennifer
Schopf,
Nigel
Ward,
Jim
Willenbring
3 So3ware
reward,
cita7on,
aDribu7on.
Tracking
usage
and
impact
– Neil
Chue
Hong,
Alberto
Di
Meglio,
Josh
Greenberg,
Juan
Lalinde,
Kevin
Jorissen

12.
Process
• Brainstorm
issues
and
ideas
(45
mins,
around
break)
– Put
down
ideas
without
judgement
(it
doesn’t
maDer
if
someone
else
doesn’t
think
it’ll
work)
– If
you’ve
heard
of
something,
write
it
down
• Understand
and
group
(15
mins)
– Do
you
have
the
same
understanding
of
all
the
ideas
– Are
some
of
the
ideas
linked
• Priori7se
and
record
(30
mins)
– What
are
the
biggest
issues?
– What
are
the
ideas
that
you’ve
seen
that
(don’t)
work
best?
– Are
there
trends/correla7ons
that
should
be
explored?
• Share
your
findings
(15
mins)
• Please
record
digitally
so
that
it
can
be
easily
shared