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install.py
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Created
Sat, Aug 17, 03:03
Size
2 KB
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text/x-python
Expires
Mon, Aug 19, 03:03 (1 d, 21 h)
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blob
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Raw Data
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18283084
Attached To
rLAMMPS lammps
install.py
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#!/usr/bin/env python
# copy LAMMPS src/liblammps.so and lammps.py to system dirs
from
__future__
import
print_function
instructions
=
"""
Syntax: python install.py [-h] [pydir]
pydir = target dir for lammps.py and liblammps.so
default = Python site-packages dir
"""
import
sys
,
os
,
shutil
if
(
len
(
sys
.
argv
)
>
1
and
sys
.
argv
[
1
]
==
"-h"
)
or
len
(
sys
.
argv
)
>
2
:
print
(
instructions
)
sys
.
exit
()
if
len
(
sys
.
argv
)
==
2
:
pydir
=
sys
.
argv
[
1
]
else
:
pydir
=
""
# copy lammps.py to pydir if it exists
# if pydir not specified, install in site-packages via distutils setup()
if
pydir
:
if
not
os
.
path
.
isdir
(
pydir
):
print
(
"ERROR: pydir
%s
does not exist"
%
pydir
)
sys
.
exit
()
str
=
"cp ../python/lammps.py
%s
"
%
pydir
print
(
str
)
try
:
shutil
.
copyfile
(
"../python/lammps.py"
,
os
.
path
.
join
(
pydir
,
'lammps.py'
)
)
except
shutil
.
Error
:
pass
# source and destination are identical
str
=
"cp ../src/liblammps.so
%s
"
%
pydir
print
(
str
)
try
:
shutil
.
copyfile
(
"../src/liblammps.so"
,
os
.
path
.
join
(
pydir
,
"liblammps.so"
)
)
except
shutil
.
Error
:
pass
# source and destination are identical
sys
.
exit
()
print
(
"installing lammps.py in Python site-packages dir"
)
os
.
chdir
(
'../python'
)
# in case invoked via make in src dir
# extract version string from header
fp
=
open
(
'../src/version.h'
,
'r'
)
txt
=
fp
.
read
()
.
split
(
'"'
)[
1
]
.
split
()
verstr
=
txt
[
0
]
+
txt
[
1
]
+
txt
[
2
]
fp
.
close
()
from
distutils.core
import
setup
from
distutils.sysconfig
import
get_python_lib
import
site
tryuser
=
False
try
:
sys
.
argv
=
[
"setup.py"
,
"install"
]
# as if had run "python setup.py install"
setup
(
name
=
"lammps"
,
version
=
verstr
,
author
=
"Steve Plimpton"
,
author_email
=
"sjplimp@sandia.gov"
,
url
=
"http://lammps.sandia.gov"
,
description
=
"LAMMPS molecular dynamics library"
,
py_modules
=
[
"lammps"
],
data_files
=
[(
get_python_lib
(),
[
"../src/liblammps.so"
])])
except
:
tryuser
=
True
print
(
"Installation into global site-packages dir failed.
\n
Trying user site dir
%s
now."
%
site
.
USER_SITE
)
if
tryuser
:
try
:
sys
.
argv
=
[
"setup.py"
,
"install"
,
"--user"
]
# as if had run "python setup.py install --user"
setup
(
name
=
"lammps"
,
version
=
verstr
,
author
=
"Steve Plimpton"
,
author_email
=
"sjplimp@sandia.gov"
,
url
=
"http://lammps.sandia.gov"
,
description
=
"LAMMPS molecular dynamics library"
,
py_modules
=
[
"lammps"
],
data_files
=
[(
site
.
USER_SITE
,
[
"../src/liblammps.so"
])])
except
:
print
(
"Installation into user site package dir failed.
\n
Go to ../python and install manually."
)
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