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lammps
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a few more Install.py script changes. untested.

This commit is contained in:
Axel Kohlmeyer 2019-01-15 23:02:49 -05:00
parent f8a8704ef4
commit 683f8854c2
2 changed files with 22 additions and 17 deletions
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17
lib/mscg/Install.py
View File

@ -4,7 +4,7 @@
# used to automate the steps described in the README file in this dir
from __future__ import print_function
import sys,os,re,subprocess,shutil
import sys,os,re,subprocess,shutil,tarfile
sys.path.append('..')
from install_helpers import get_cpus,fullpath,get_cpus,geturl
@ -70,7 +70,7 @@ tarfile = "MS-CG-%s.tar.gz" % mscgver
tardir = "MSCG-release-%s" % mscgver
homepath = fullpath('.')
homedir = "%s/%s" % (homepath,tardir)
homedir = os.path.join(homepath,tardir)
if pathflag:
if not os.path.isdir(mscgpath):
@ -81,7 +81,7 @@ if pathflag:
if buildflag:
print("Downloading MS-CG ...")
geturl(url,"%s/%s" % (homepath,tarfile))
geturl(url,os.path.join(homepath,tarfile))
print("Unpacking MS-CG tarfile ...")
if os.path.exists("%s/%s" % (homepath,tardir)):
@ -116,10 +116,9 @@ if buildflag:
if not os.path.exists("Makefile.lammps"):
print("Creating Makefile.lammps")
if os.path.exists("Makefile.lammps.%s" % msuffix):
cmd = 'cp Makefile.lammps.%s Makefile.lammps' % msuffix
shutil.copyfile('Makefile.lammps.%s' % msuffix,'Makefile.lammps')
else:
cmd = 'cp Makefile.lammps.default Makefile.lammps'
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
shutil.copyfile('Makefile.lammps.default','Makefile.lammps')
else: print("Makefile.lammps exists. Please check its settings")
# create 2 links in lib/mscg to MS-CG src dir
@ -129,7 +128,5 @@ if os.path.isfile("includelink") or os.path.islink("includelink"):
os.remove("includelink")
if os.path.isfile("liblink") or os.path.islink("liblink"):
os.remove("liblink")
cmd = 'ln -s "%s/src" includelink' % homedir
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
cmd = 'ln -s "%s/src" liblink' % homedir
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
os.symlink(os.path.join(homedir,'src'),'includelink')
os.symlink(os.path.join(homedir,'src'),'liblink')

22
lib/plumed/Install.py
View File

@ -93,7 +93,7 @@ if buildflag:
shutil.rmtree(homedir)
cmd = 'cd "%s"; tar -xzvf %s' % (homepath,filename)
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
os.remove("%s/%s" % (homepath,filename))
os.remove(os.path.join(homepath,filename))
# build plumed
print("Building plumed ...")
@ -113,12 +113,20 @@ if os.path.isfile("includelink") or os.path.islink("includelink"):
os.remove("includelink")
if os.path.isfile("liblink") or os.path.islink("liblink"):
os.remove("liblink")
cmd = 'ln -s "%s/include" includelink' % homedir
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
cmd = 'ln -s "%s/lib" liblink' % homedir
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
os.symlink(os.path.join(homedir,'include'),'includelink')
libpath=os.path.join(homedir,'lib64')
if no os.path.exists(libpath): libpath=os.path.join(homedir,'lib')
os.symlink(libpath,'liblink')
if os.path.isfile("Makefile.lammps.%s" % mode):
print("Creating Makefile.lammps")
cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/plumed/src/lib/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
plumedinc = os.path.join('liblink','plumed','src','lib','Plumed.inc.' + mode)
lines1 = open(plumedinc,'r').readlines()
lines2 = open("Makefile.lammps.%s" % mode,'r').readlines()
fp open("Makefile.lammps",'w')
fp.write(os.path.join("PLUMED_LIBDIR=",homedir,"lib\n"))
for line in lines1:
fp.write(line)
for line in lines2:
fp.write(line)
fp.close()