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download only the plumed-src package and include further tweaks to be compatible with plumed 2.5b

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This commit is contained in:
Axel Kohlmeyer
2018-11-03 00:21:10 -04:00
parent ac11d66d5a
commit badfdd7433
3 changed files with 47 additions and 50 deletions
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33
lib/plumed/Install.py
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@ -35,10 +35,16 @@ version = "2.4.3"
# known checksums for different PLUMED versions. used to validate the download.
checksums = { \
'2.4.2' : '0f66f24b4c763ae8b2f39574113e9935', \
'2.4.3' : 'dc38de0ffd59d13950d8f1ef1ce05574', \
'2.4.2' : '88188743a6e03ef076e5377d03ebb0e7', \
'2.4.3' : 'b1be7c48971627febc11c61b70767fc5', \
'2.5b' : 'e341bdef469be1da058b8a0b97a3db22', \
}
#checksums = { \
# '2.4.2' : '0f66f24b4c763ae8b2f39574113e9935', \
# '2.4.3' : 'dc38de0ffd59d13950d8f1ef1ce05574', \
# }
# print error message or help
def error(str=None):
if not str: print(help)
@ -146,8 +152,10 @@ if (not buildflag and not pathflag):
# download and unpack plumed2 tarball
if buildflag:
url = "https://github.com/plumed/plumed2/archive/v%s.tar.gz" % version
filename = "v%s.tar.gz" %version
url = "https://github.com/plumed/plumed2/releases/download/v%s/plumed-src-%s.tgz" % (version,version)
filename = "plumed-src-%s.tar.gz" %version
#url = "https://github.com/plumed/plumed2/archive/v%s.tar.gz" % version
#filename = "v%s.tar.gz" %version
print("Downloading plumed ...")
geturl(url,filename)
@ -156,22 +164,26 @@ if buildflag:
if not checkmd5sum(checksums[version],filename):
error("Checksum for plumed2 library does not match")
print("Unpacking plumed2 tarball ...")
if os.path.exists("%s/plumed2-%s" % (homepath,version)):
cmd = 'rm -rf "%s/plumed2-%s"' % (homepath,version)
print("Unpacking plumed2 source tarball ...")
if os.path.exists("%s/plumed-%s" % (homepath,version)):
cmd = 'rm -rf "%s/plumed-%s"' % (homepath,version)
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
#if os.path.exists("%s/plumed2-%s" % (homepath,version)):
# cmd = 'rm -rf "%s/plumed2-%s"' % (homepath,version)
# subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
if os.path.exists("%s/plumed2" % (homepath)):
cmd = 'rm -rf "%s/plumed2"' % (homepath)
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
cmd = 'cd "%s"; tar -xzvf v%s.tar.gz' % (homepath,version)
cmd = 'cd "%s"; tar -xzvf %s' % (homepath,filename)
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
os.remove("%s/v%s.tar.gz" % (homepath,version))
os.remove("%s/%s" % (homepath,filename))
# build plumed
if buildflag:
print("Building plumed ...")
cmd = 'cd %s/plumed2-%s; ./configure --prefix=%s/plumed2 ; make ; make install' % (homepath,version,homepath)
cmd = 'cd %s/plumed-%s; ./configure --prefix=%s/plumed2 --enable-static-patch ; make ; make install' % (homepath,version,homepath)
#cmd = 'cd %s/plumed2-%s; ./configure --prefix=%s/plumed2 --enable-static-patch ; make ; make install' % (homepath,version,homepath)
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
print(txt.decode('UTF-8'))
#
@ -190,4 +202,5 @@ if linkflag:
if os.path.isfile("Makefile.lammps.static"):
print("Creating Makefile.lammps")
cmd = 'cat liblink/plumed/src/lib/Plumed.inc.static Makefile.lammps.static > Makefile.lammps'
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)