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multiscale
lammps
Commits
81f342aa
Commit
81f342aa
authored
7 years ago
by
Axel Kohlmeyer
Browse files
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fix variable name bug and synchronize with other ported Install.py files
parent
7ccb0d37
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Changes
1
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1 changed file
lib/kim/Install.py
+28
-42
28 additions, 42 deletions
lib/kim/Install.py
with
28 additions
and
42 deletions
lib/kim/Install.py
+
28
−
42
View file @
81f342aa
...
@@ -3,7 +3,9 @@
...
@@ -3,7 +3,9 @@
# install.pa tool to setup the kim-api library
# install.pa tool to setup the kim-api library
# used to automate the steps described in the README file in this dir
# used to automate the steps described in the README file in this dir
from
__future__
import
print_function
from
__future__
import
print_function
import
sys
,
os
,
re
,
urllib
,
subprocess
import
sys
,
os
,
re
,
subprocess
try
:
from
urllib.request
import
urlretrieve
as
geturl
except
:
from
urllib
import
urlretrieve
as
geturl
help
=
"""
help
=
"""
Syntax from src dir: make lib-kim args=
"
-v version -b kim-install-dir kim-name -a kim-name
"
Syntax from src dir: make lib-kim args=
"
-v version -b kim-install-dir kim-name -a kim-name
"
...
@@ -97,10 +99,10 @@ if buildflag:
...
@@ -97,10 +99,10 @@ if buildflag:
# configure LAMMPS to use kim-api to be installed
# configure LAMMPS to use kim-api to be installed
with
open
(
"
%s/Makefile.KIM_DIR
"
%
thisdir
,
'
w
'
)
as
mkfile
:
with
open
(
"
%s/Makefile.KIM_DIR
"
%
thisdir
,
'
w
'
)
as
mkfile
:
mkfle
.
write
(
"
KIM_INSTALL_DIR=%s
\n\n
"
%
dir
)
mkf
i
le
.
write
(
"
KIM_INSTALL_DIR=%s
\n\n
"
%
dir
)
mkfle
.
write
(
"
.DUMMY: print_dir
\n\n
"
)
mkf
i
le
.
write
(
"
.DUMMY: print_dir
\n\n
"
)
mkfle
.
write
(
"
print_dir:
\n
"
)
mkf
i
le
.
write
(
"
print_dir:
\n
"
)
mkfle
.
write
(
"
@printf $(KIM_INSTALL_DIR)
\n
"
)
mkf
i
le
.
write
(
"
@printf $(KIM_INSTALL_DIR)
\n
"
)
with
open
(
"
%s/Makefile.KIM_Config
"
%
thisdir
,
'
w
'
)
as
cfgfile
:
with
open
(
"
%s/Makefile.KIM_Config
"
%
thisdir
,
'
w
'
)
as
cfgfile
:
cfgfile
.
write
(
"
include %s/lib/kim-api/Makefile.KIM_Config
"
%
dir
)
cfgfile
.
write
(
"
include %s/lib/kim-api/Makefile.KIM_Config
"
%
dir
)
...
@@ -113,27 +115,23 @@ if buildflag:
...
@@ -113,27 +115,23 @@ if buildflag:
print
(
"
Downloading kim-api tarball ...
"
)
print
(
"
Downloading kim-api tarball ...
"
)
try
:
url
lib
.
urlretrieve
(
url
,
"
%s/%s.tgz
"
%
(
thisdir
,
version
))
try
:
get
url
(
url
,
"
%s/%s.tgz
"
%
(
thisdir
,
version
))
except
:
except
:
cmd
=
"
wget %s %s/%s.tgz
"
%
(
url
,
thisdir
,
version
)
cmd
=
"
wget %s %s/%s.tgz
"
%
(
url
,
thisdir
,
version
)
txt
=
subprocess
.
getstatusoutput
(
cmd
)
subprocess
.
check_output
(
cmd
,
shell
=
True
)
print
(
txt
[
1
])
if
not
os
.
path
.
isfile
(
"
%s/%s.tgz
"
%
(
thisdir
,
version
)):
if
not
os
.
path
.
isfile
(
"
%s/%s.tgz
"
%
(
thisdir
,
version
)):
print
(
"
Both urllib
.urlretrieve()
and wget command failed to download
"
)
print
(
"
Both urllib and wget command failed to download
"
)
sys
.
exit
()
sys
.
exit
()
print
(
"
Unpacking kim-api tarball ...
"
)
print
(
"
Unpacking kim-api tarball ...
"
)
cmd
=
"
cd %s; rm -rf %s; tar zxvf %s.tgz
"
%
(
thisdir
,
version
,
version
)
cmd
=
"
cd %s; rm -rf %s; tar zxvf %s.tgz
"
%
(
thisdir
,
version
,
version
)
txt
=
subprocess
.
getstatusoutput
(
cmd
)
subprocess
.
check_output
(
cmd
,
shell
=
True
)
if
txt
[
0
]
!=
0
:
error
()
# configure kim-api
# configure kim-api
print
(
"
Configuring kim-api ...
"
)
print
(
"
Configuring kim-api ...
"
)
cmd
=
"
cd %s/%s; ./configure --prefix=
'
%s
'"
%
(
thisdir
,
version
,
dir
)
cmd
=
"
cd %s/%s; ./configure --prefix=
'
%s
'"
%
(
thisdir
,
version
,
dir
)
txt
=
subprocess
.
getstatusoutput
(
cmd
)
subprocess
.
check_output
(
cmd
,
shell
=
True
)
print
(
txt
[
1
])
if
txt
[
0
]
!=
0
:
error
()
# build kim-api
# build kim-api
...
@@ -145,36 +143,26 @@ if buildflag:
...
@@ -145,36 +143,26 @@ if buildflag:
print
(
"
configuring all OpenKIM models, this will take a while ...
"
)
print
(
"
configuring all OpenKIM models, this will take a while ...
"
)
cmd
=
"
cd %s/%s; make add-examples; make add-%s
"
%
\
cmd
=
"
cd %s/%s; make add-examples; make add-%s
"
%
\
(
thisdir
,
version
,
modelname
)
(
thisdir
,
version
,
modelname
)
txt
=
subprocess
.
getstatusoutput
(
cmd
)
subprocess
.
check_output
(
cmd
,
shell
=
True
)
print
(
txt
[
1
])
if
txt
[
0
]
!=
0
:
error
()
print
(
"
Building kim-api ...
"
)
print
(
"
Building kim-api ...
"
)
cmd
=
"
cd %s/%s; make
"
%
(
thisdir
,
version
)
cmd
=
"
cd %s/%s; make
"
%
(
thisdir
,
version
)
txt
=
subprocess
.
getstatusoutput
(
cmd
)
subprocess
.
check_output
(
cmd
,
shell
=
True
)
print
(
txt
[
1
])
if
txt
[
0
]
!=
0
:
error
()
# install kim-api
# install kim-api
print
(
"
Installing kim-api ...
"
)
print
(
"
Installing kim-api ...
"
)
cmd
=
"
cd %s/%s; make install
"
%
(
thisdir
,
version
)
cmd
=
"
cd %s/%s; make install
"
%
(
thisdir
,
version
)
txt
=
subprocess
.
getstatusoutput
(
cmd
)
subprocess
.
check_output
(
cmd
,
shell
=
True
)
print
(
txt
[
1
])
if
txt
[
0
]
!=
0
:
error
()
cmd
=
"
cd %s/%s; make install-set-default-to-v1
"
%
(
thisdir
,
version
)
cmd
=
"
cd %s/%s; make install-set-default-to-v1
"
%
(
thisdir
,
version
)
txt
=
subprocess
.
getstatusoutput
(
cmd
)
subprocess
.
check_output
(
cmd
,
shell
=
True
)
print
(
txt
[
1
])
if
txt
[
0
]
!=
0
:
error
()
# remove source files
# remove source files
print
(
"
Removing kim-api source and build files ...
"
)
print
(
"
Removing kim-api source and build files ...
"
)
cmd
=
"
cd %s; rm -rf %s; rm -rf %s.tgz
"
%
(
thisdir
,
version
,
version
)
cmd
=
"
cd %s; rm -rf %s; rm -rf %s.tgz
"
%
(
thisdir
,
version
,
version
)
txt
=
subprocess
.
getstatusoutput
(
cmd
)
subprocess
.
check_output
(
cmd
,
shell
=
True
)
print
(
txt
[
1
])
if
txt
[
0
]
!=
0
:
error
()
# add a single model (and possibly its driver) to existing KIM installation
# add a single model (and possibly its driver) to existing KIM installation
...
@@ -187,7 +175,7 @@ if addflag:
...
@@ -187,7 +175,7 @@ if addflag:
error
()
error
()
else
:
else
:
cmd
=
"
cd %s; make -f Makefile.KIM_DIR print_dir
"
%
thisdir
cmd
=
"
cd %s; make -f Makefile.KIM_DIR print_dir
"
%
thisdir
dir
=
subprocess
.
getstatus
output
(
cmd
)[
1
]
dir
=
subprocess
.
check_
output
(
cmd
,
shell
=
True
)[
1
]
# download single model
# download single model
# try first via urllib
# try first via urllib
...
@@ -197,10 +185,10 @@ if addflag:
...
@@ -197,10 +185,10 @@ if addflag:
url
=
"
https://openkim.org/download/%s.tgz
"
%
addmodelname
url
=
"
https://openkim.org/download/%s.tgz
"
%
addmodelname
try
:
url
lib
.
urlretrieve
(
url
,
"
%s/%s.tgz
"
%
(
thisdir
,
addmodelname
))
try
:
get
url
(
url
,
"
%s/%s.tgz
"
%
(
thisdir
,
addmodelname
))
except
:
except
:
cmd
=
"
wget %s %s/%s.tgz
"
%
(
url
,
thisdir
,
addmodelname
)
cmd
=
"
wget %s %s/%s.tgz
"
%
(
url
,
thisdir
,
addmodelname
)
txt
=
subprocess
.
getstatus
output
(
cmd
)
txt
=
subprocess
.
check_
output
(
cmd
,
shell
=
True
)
print
(
txt
[
1
])
print
(
txt
[
1
])
if
not
os
.
path
.
isfile
(
"
%s/%s.tgz
"
%
(
thisdir
,
addmodelname
)):
if
not
os
.
path
.
isfile
(
"
%s/%s.tgz
"
%
(
thisdir
,
addmodelname
)):
print
(
"
Both urllib.urlretrieve() and wget command failed to download
"
)
print
(
"
Both urllib.urlretrieve() and wget command failed to download
"
)
...
@@ -208,28 +196,27 @@ if addflag:
...
@@ -208,28 +196,27 @@ if addflag:
print
(
"
Unpacking item tarball ...
"
)
print
(
"
Unpacking item tarball ...
"
)
cmd
=
"
cd %s; tar zxvf %s.tgz
"
%
(
thisdir
,
addmodelname
)
cmd
=
"
cd %s; tar zxvf %s.tgz
"
%
(
thisdir
,
addmodelname
)
txt
=
subprocess
.
getstatusoutput
(
cmd
)
subprocess
.
check_output
(
cmd
,
shell
=
True
)
if
txt
[
0
]
!=
0
:
error
()
print
(
"
Building item ...
"
)
print
(
"
Building item ...
"
)
cmd
=
"
cd %s/%s; make; make install
"
%
(
thisdir
,
addmodelname
)
cmd
=
"
cd %s/%s; make; make install
"
%
(
thisdir
,
addmodelname
)
txt
=
subprocess
.
getstatus
output
(
cmd
)
subprocess
.
check_
output
(
cmd
,
shell
=
True
)
firstRunOutput
=
txt
[
1
]
firstRunOutput
=
txt
[
1
]
if
txt
[
0
]
!=
0
:
if
txt
[
0
]
!=
0
:
# Error: but first, check to see if it needs a driver
# Error: but first, check to see if it needs a driver
cmd
=
"
cd %s/%s; make kim-item-type
"
%
(
thisdir
,
addmodelname
)
cmd
=
"
cd %s/%s; make kim-item-type
"
%
(
thisdir
,
addmodelname
)
txt
=
subprocess
.
getstatus
output
(
cmd
)
txt
=
subprocess
.
check_
output
(
cmd
,
shell
=
True
)
if
txt
[
1
]
==
"
ParameterizedModel
"
:
if
txt
[
1
]
==
"
ParameterizedModel
"
:
# Get and install driver
# Get and install driver
cmd
=
"
cd %s/%s; make model-driver-name
"
%
(
thisdir
,
addmodelname
)
cmd
=
"
cd %s/%s; make model-driver-name
"
%
(
thisdir
,
addmodelname
)
txt
=
subprocess
.
getstatus
output
(
cmd
)
txt
=
subprocess
.
check_
output
(
cmd
,
shell
=
True
)
adddrivername
=
txt
[
1
]
adddrivername
=
txt
[
1
]
print
(
"
First Installing model driver: %s
"
%
adddrivername
)
print
(
"
First Installing model driver: %s
"
%
adddrivername
)
cmd
=
"
cd %s; python Install.py -a %s
"
%
(
thisdir
,
adddrivername
)
cmd
=
"
cd %s; python Install.py -a %s
"
%
(
thisdir
,
adddrivername
)
txt
=
subprocess
.
getstatus
output
(
cmd
)
txt
=
subprocess
.
check_
output
(
cmd
,
shell
=
True
)
if
txt
[
0
]
!=
0
:
if
txt
[
0
]
!=
0
:
print
(
firstRunOutput
)
print
(
firstRunOutput
)
print
(
txt
[
1
])
print
(
txt
[
1
])
...
@@ -237,7 +224,7 @@ if addflag:
...
@@ -237,7 +224,7 @@ if addflag:
else
:
else
:
print
(
txt
[
1
])
print
(
txt
[
1
])
cmd
=
"
cd %s; python Install.py -a %s
"
%
(
thisdir
,
addmodelname
)
cmd
=
"
cd %s; python Install.py -a %s
"
%
(
thisdir
,
addmodelname
)
txt
=
subprocess
.
getstatus
output
(
cmd
)
txt
=
subprocess
.
check_
output
(
cmd
,
shell
=
True
)
print
(
txt
[
1
])
print
(
txt
[
1
])
if
txt
[
0
]
!=
0
:
if
txt
[
0
]
!=
0
:
error
()
error
()
...
@@ -251,6 +238,5 @@ if addflag:
...
@@ -251,6 +238,5 @@ if addflag:
print
(
firstRunOutput
)
print
(
firstRunOutput
)
print
(
"
Removing kim item source and build files ...
"
)
print
(
"
Removing kim item source and build files ...
"
)
cmd
=
"
cd %s; rm -rf %s; rm -rf %s.tgz
"
%
(
thisdir
,
addmodelname
,
addmodelname
)
cmd
=
"
cd %s; rm -rf %s; rm -rf %s.tgz
"
%
(
thisdir
,
addmodelname
,
addmodelname
)
txt
=
subprocess
.
getstatusoutput
(
cmd
)
subprocess
.
check_output
(
cmd
,
shell
=
True
)
print
(
txt
[
1
])
if
txt
[
0
]
!=
0
:
error
()
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