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schwede
openstructure
Commits
c16d3b96
Commit
c16d3b96
authored
13 years ago
by
Valerio Mariani
Browse files
Options
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Patches
Plain Diff
Removed qmean scripts
parent
bf435563
No related branches found
No related tags found
No related merge requests found
Changes
2
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2 changed files
deployment/linux/create_qmean_bundle.py
+0
-138
0 additions, 138 deletions
deployment/linux/create_qmean_bundle.py
deployment/linux/reset_repository_qmean.py
+0
-14
0 additions, 14 deletions
deployment/linux/reset_repository_qmean.py
with
0 additions
and
152 deletions
deployment/linux/create_qmean_bundle.py
deleted
100644 → 0
+
0
−
138
View file @
bf435563
import
os
import
shutil
import
subprocess
import
string
import
sys
# custom parameters
boost_string
=
'
\"
.so.1.40.0
\"
'
system_python_bin
=
'
/usr/bin/python2.6
'
name_python_bin
=
'
python2.6
'
system_python_libs
=
'
/usr/lib/python2.6
'
second_system_python_libs_flag
=
True
second_system_python_libs
=
'
/usr/lib/pymodules/python2.6
'
qt4_plugins
=
'
/usr/lib/qt4/plugins
'
additional_label
=
'
ubuntu
'
list_of_excluded_libraries
=
[
'
ld-linux
'
,
'
libexpat
'
,
'
libgcc_s
'
,
'
libglib
'
,
'
cmov
'
,
'
libice
'
,
'
libSM
'
,
'
libX
'
,
'
libg
'
,
'
libGL.so
'
,
'
libfontconfig
'
,
'
libfreetype
'
,
'
libdrm
'
,
'
libxcb
'
,
'
libICE
'
]
currdir
=
os
.
getcwd
()
if
currdir
.
find
(
'
deployment
'
)
==-
1
or
currdir
.
find
(
'
linux
'
)
==-
1
:
print
'
\n
'
print
'
ERROR: Please run this script from the deployment/linux directory
'
print
'
\n
'
sys
.
exit
()
print
'
\n
'
print
'
WARNING: If this script does not run to completion, please run the reset_repository_qmean.py script before restarting
'
print
'
\n
'
print
'
Detecting architecture and revision
'
uname_output
=
subprocess
.
Popen
(
'
uname -a
'
,
shell
=
True
,
cwd
=
'
../../
'
,
stdout
=
subprocess
.
PIPE
).
stdout
uname_line
=
uname_output
.
readlines
()
if
uname_line
[
0
].
find
(
'
x86_64
'
)
!=-
1
:
libdir
=
'
lib64
'
archstring
=
'
64bit
'
else
:
libdir
=
'
lib
'
archstring
=
'
32bit
'
svninfo_output
=
subprocess
.
Popen
(
'
svn info
'
,
shell
=
True
,
cwd
=
'
../../
'
,
stdout
=
subprocess
.
PIPE
).
stdout
svninfo_lines
=
svninfo_output
.
readlines
()
svninfo_split
=
string
.
split
(
svninfo_lines
[
4
])
revstring
=
svninfo_split
[
1
]
directory_name
=
'
qmean-
'
+
archstring
+
'
-
'
+
additional_label
+
'
-rev
'
+
revstring
print
'
Stripping subversion information to avoid accidental commit
'
subprocess
.
call
(
'
rm -rf $(find . -name .svn)
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Tweaking scripts for bundle use
'
subprocess
.
call
(
'
mv scripts/ost.in scripts/ost.in.backup
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/@PYTHON_BINARY@/\$DNG_ROOT\/bin\/
'
+
name_python_bin
+
'
/g
"
scripts/ost.in.backup > scripts/ost.in.preprepre
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export LD_LIBRARY_PATH/ export LD_LIBRARY_PATH/g
"
scripts/ost.in.prepreprepre > scripts/ost.in.preprepre
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export PYTHONHOME/ export PYTHONHOME/g
"
scripts/ost.in.preprepre > scripts/ost.in.prepre
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export PYTHONPATH/ export PYTHONPATH/g
"
scripts/ost.in.prepre > scripts/ost.in.pre
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export QT_PLUGIN_PATH/ export QT_PLUGIN_PATH/g
"
scripts/ost.in.pre > scripts/ost.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
mv modules/scratch/qmean/scripts/qmean.in modules/scratch/qmean/scripts/qmean.in.backup
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/@PYTHON_BINARY@/\$DNG_ROOT\/bin\/
'
+
name_python_bin
+
'
/g
"
modules/scratch/qmean/scripts/qmean.in.backup > modules/scratch/qmean/scripts/qmean.in.prepreprepre
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export LD_LIBRARY_PATH/ export LD_LIBRARY_PATH/g
"
modules/scratch/qmean/scripts/qmean.in.prepreprepre > modules/scratch/qmean/scripts/qmean.in.preprepre
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export PYTHONHOME/ export PYTHONHOME/g
"
modules/scratch/qmean/scripts/qmean.in.preprepre > modules/scratch/qmean/scripts/qmean.in.prepre
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export PYTHONPATH/ export PYTHONPATH/g
"
modules/scratch/qmean/scripts/qmean.in.prepre > modules/scratch/qmean/scripts/qmean.in.pre
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export QT_PLUGIN_PATH/ export QT_PLUGIN_PATH/g
"
modules/scratch/qmean/scripts/qmean.in.pre > modules/scratch/qmean/scripts/qmean.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
mv scripts/dng.in scripts/dng.in.backup
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export LD_LIBRARY_PATH/ export LD_LIBRARY_PATH/g
"
scripts/dng.in.backup > scripts/dng.in.preprepre
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export PYTHONHOME/ export PYTHONHOME/g
"
scripts/dng.in.preprepre > scripts/dng.in.prepre
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export PYTHONPATH/ export PYTHONPATH/g
"
scripts/ost.in.prepre > scripts/ost.in.pre
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
sed
"
s/\#export QT_PLUGIN_PATH/ export QT_PLUGIN_PATH/g
"
scripts/dng.in.pre > scripts/dng.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Downloading Chemlib dictionary
'
subprocess
.
call
(
'
wget ftp://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Compiling Openstructure/Qmean
'
subprocess
.
call
(
'
cmake ./ -DCMAKE_BUILD_TYPE=Release -DPREFIX=
'
+
directory_name
+
'
-DBoost_COMPILER=
'
+
boost_string
+
'
-DONLY_QMEAN=ON -DENABLE_IMG=OFF -DENABLE_UI=OFF -DENABLE_GFX=OFF -DCOMPOUND_LIB=ChemLib/compounds.chemlib
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
make
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Converting Chemlib dictionary
'
subprocess
.
call
(
'
stage/bin/chemdict_tool create components.cif compounds.chemlib
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
\n
Staging Chemlib dictionary
'
subprocess
.
call
(
'
cmake ./ -DCOMPOUND_LIB=compounds.chemlib
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
make
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Removing obsolete packages and package directory
'
subprocess
.
call
(
'
rm -fr qmean-*
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Creating new package directory
'
subprocess
.
call
(
'
mkdir
'
+
directory_name
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
mkdir
'
+
directory_name
+
'
/bin
'
,
shell
=
True
,
cwd
=
'
../../
'
)
so_list
=
[]
print
'
Creating new dependency list
'
walk_list
=
os
.
walk
(
'
../../stage
'
)
for
dir_entry
in
walk_list
:
for
file_entry
in
dir_entry
[
2
]:
if
file_entry
.
find
(
'
.so
'
)
==
len
(
file_entry
)
-
3
or
file_entry
==
'
gosty
'
:
filepath
=
os
.
path
.
join
(
dir_entry
[
0
],
file_entry
)
so_list
.
append
(
filepath
)
dep_list
=
[]
for
so_entry
in
so_list
:
dep
=
subprocess
.
Popen
(
'
perl ./ldd-rec.pl
'
+
so_entry
,
shell
=
True
,
stdout
=
subprocess
.
PIPE
,
cwd
=
'
./
'
).
stdout
dep_so_entry
=
dep
.
readlines
()
for
dep_entry
in
dep_so_entry
:
dep_list
.
append
(
dep_entry
[:
-
1
])
sorted_dep_list
=
sorted
(
list
(
set
(
dep_list
)))
print
'
Filtering system libraries from depenedency list
'
filtered_dep_list
=
[]
for
entry
in
sorted_dep_list
:
exclude
=
False
for
exclusion
in
list_of_excluded_libraries
:
if
entry
.
find
(
exclusion
)
!=-
1
:
exclude
=
True
if
exclude
==
False
:
filtered_dep_list
.
append
(
entry
)
print
'
Copy libraries in the package directory structure
'
subprocess
.
call
(
'
mkdir
'
+
directory_name
+
'
/
'
+
libdir
,
shell
=
True
,
cwd
=
'
../../
'
)
for
entry
in
filtered_dep_list
:
subprocess
.
call
(
'
cp
'
+
entry
+
'
'
+
directory_name
+
'
/
'
+
libdir
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Copy python executable into package directory structure
'
subprocess
.
call
(
'
cp
'
+
system_python_bin
+
'
'
+
directory_name
+
'
/bin
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Copy python libraries into package directory structure
'
subprocess
.
call
(
'
cp -pRL
'
+
system_python_libs
+
'
'
+
directory_name
+
'
/
'
+
libdir
,
shell
=
True
,
cwd
=
'
../../
'
)
if
second_system_python_libs_flag
==
True
:
subprocess
.
call
(
'
cp -pRL
'
+
second_system_python_libs
+
'
/*
'
+
directory_name
+
'
/
'
+
libdir
+
'
/
'
+
name_python_bin
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Copy Qt 4 plugins into package directory structure
'
subprocess
.
call
(
'
cp -pRL
'
+
qt4_plugins
+
'
'
+
directory_name
+
'
/bin/
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Installing OpenStructure into package directory structure
'
subprocess
.
call
(
'
make install
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Copy examples into package directory structure
'
subprocess
.
call
(
'
cp -pRL examples
'
+
directory_name
+
'
/share/openstructure/
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Removing headers from package directory structure
'
subprocess
.
call
(
'
rm -fr
'
+
directory_name
+
'
/include
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Copying supplementary material into package directory structure
'
subprocess
.
call
(
'
cp -pRL stage/share/openstructure
'
+
directory_name
+
'
/share/
'
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Copy qmean examples into package directory structure
'
subprocess
.
call
(
'
cp -pRL modules/scratch/qmean/examples
'
+
directory_name
+
''
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Copy readme and license files into package directory structure
'
subprocess
.
call
(
'
cp -pRL modules/scratch/qmean/LICENSE.txt
'
+
directory_name
+
''
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
cp -pRL modules/scratch/qmean/README.txt
'
+
directory_name
+
''
,
shell
=
True
,
cwd
=
'
../../
'
)
print
'
Resetting script to non-bundle versions
'
subprocess
.
call
(
'
rm scripts/ost.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
rm scripts/ost.in.pre*
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
rm scripts/dng.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
rm modules/scratch/qmean/scripts/qmean.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
rm modules/scratch/qmean/scripts/qmean.in.pre*
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
rm scripts/dng.in.pre*
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
mv scripts/ost.in.backup scripts/ost.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
mv scripts/dng.in.backup scripts/dng.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
mv modules/scratch/qmean/scripts/qmean.in.backup modules/scratch/qmean/scripts/qmean.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
tar cfz
'
+
directory_name
+
'
.tgz
'
+
directory_name
,
shell
=
True
,
cwd
=
'
../../
'
)
This diff is collapsed.
Click to expand it.
deployment/linux/reset_repository_qmean.py
deleted
100644 → 0
+
0
−
14
View file @
bf435563
import
subprocess
import
os
currdir
=
os
.
getcwd
()
if
currdir
.
find
(
'
deployment
'
)
==-
1
or
currdir
.
find
(
'
linux
'
)
==-
1
:
print
'
\n
'
print
'
ERROR: Please run this script from the deployment/linux directory
'
print
'
\n
'
sys
.
exit
()
subprocess
.
call
(
'
rm -fr scripts/dng.in.pre* scripts/ost_cl.in.pre* modules/scratch/qmean/scripts/qmean.in.pre*
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
mv scripts/ost.in.backup scripts/ost.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
mv scripts/dng.in.backup scripts/dng.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
subprocess
.
call
(
'
mv modules/scratch/qmean/scripts/qmean.in.backup scripts/dng.in modules/scratch/qmean/scripts/qmean.in
'
,
shell
=
True
,
cwd
=
'
../../
'
)
\ No newline at end of file
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