a few more Install.py script changes. untested. (683f8854) · Commits · 郑智淋 / lammps

lib/mscg/Install.py

+7 −10

Original line number	Diff line number	Diff line
		@@ -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')

lib/plumed/Install.py

+15 −7

Original line number	Diff line number	Diff line
		@@ -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()

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