if not os.path.isdir(plumedpath):
sys.exit("Plumed2 path %s does not exist" % plumedpath)
homedir = fullpath(plumedpath)
# download and unpack plumed2 tarball
if buildflag:
url = "https://github.com/plumed/plumed2/releases/download/v%s/plumed-src-%s.tgz" % (
version, version)
filename = "plumed-src-%s.tar.gz" % version
print("Downloading plumed ...")
geturl(url, filename)
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version], filename):
sys.exit("Checksum for plumed2 library does not match")
print("Unpacking plumed2 source tarball ...")
if os.path.exists("%s/plumed-%s" % (homepath, version)):
shutil.rmtree("%s/plumed-%s" % (homepath, version))
if os.path.exists(homedir):
shutil.rmtree(homedir)
cmd = 'cd "%s"; tar -xzvf %s' % (homepath, filename)
subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
os.remove(os.path.join(homepath, filename))
# build plumed
print("Building plumed ...")
n_cpus = get_cpus()
cmd = 'cd %s/plumed-%s; ./configure --prefix=%s --enable-modules=all --enable-static-patch ; make -j%d ; make install' % (
url = "https://github.com/lanl/LATTE/archive/v%s.tar.gz" % version
lattepath = fullpath(homepath)
lattedir = "%s/%s" % (lattepath,homedir)
if pathflag:
if not os.path.isdir(lattedir): error("LATTE path does not exist")
# download and unpack LATTE tarball
if buildflag:
print("Downloading LATTE ...")
geturl(url,"LATTE.tar.gz")
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version],'LATTE.tar.gz'):
error("Checksum for LATTE library does not match")
print("Unpacking LATTE ...")
if os.path.exists(lattedir):
shutil.rmtree(lattedir)
cmd = 'cd "%s"; tar zxvf LATTE.tar.gz' % lattepath
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
os.remove("%s/LATTE.tar.gz" % lattepath)
# build LATTE
if buildflag:
print("Building LATTE ...")
cmd = 'cd "%s"; make' % lattedir
try:
# download PACE tarball, unpack, build PACE
if buildflag:
# download entire tarball
print("Downloading pace tarball ...")
archive_filename = "%s.%s" % (version, archive_extension)
download_filename = "%s/%s" % (thisdir, archive_filename)
print("Downloading from ", url, " to ", download_filename, end=" ")
geturl(url, download_filename)
print(" done")
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version], archive_filename):
sys.exit("Checksum for pace library does not match")
print("Unpacking pace tarball ...")
src_folder = thisdir + "/src"
cmd = 'cd "%s"; rm -rf "%s"; tar -xvf %s; mv %s %s' % (
thisdir, src_folder, archive_filename, unarchived_folder_name,
src_folder)
subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
# build
print("Building libpace ...")
cmd = 'make lib -j2'
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
if verboseflag:
print(txt.decode("UTF-8"))
error("Have to use either -b or -p flag")
if ((mode != "static") and (mode != "shared") and (mode != "runtime")):
error("Unknown linkage mode '%s' for Plumed" % mode)
# download and unpack plumed2 tarball
if buildflag:
url = "https://github.com/plumed/plumed2/releases/download/v%s/plumed-src-%s.tgz" % (version,version)
filename = "plumed-src-%s.tar.gz" %version
print("Downloading plumed ...")
geturl(url,filename)
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version],filename):
error("Checksum for plumed2 library does not match")
print("Unpacking plumed2 source tarball ...")
if os.path.exists("%s/plumed-%s" % (homepath,version)):
shutil.rmtree("%s/plumed-%s" % (homepath,version))
if os.path.exists(homedir):
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))
# build plumed
print("Building plumed ...")
n_cpus = get_cpus()
cmd = 'cd %s/plumed-%s; ./configure --prefix=%s --enable-static-patch ; make -j%d ; make install' % (homepath,version,homedir,n_cpus)
homedir = "LATTE-%s" % version
if buildflag:
url = "https://github.com/lanl/LATTE/archive/v%s.tar.gz" % version
lattepath = fullpath(homepath)
lattedir = os.path.join(lattepath, homedir)
# download and unpack LATTE tarball
if buildflag:
print("Downloading LATTE ...")
geturl(url, "LATTE.tar.gz")
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version], 'LATTE.tar.gz'):
sys.exit("Checksum for LATTE library does not match")
print("Unpacking LATTE ...")
if os.path.exists(lattedir):
shutil.rmtree(lattedir)
if tarfile.is_tarfile('LATTE.tar.gz'):
tgz = tarfile.open('LATTE.tar.gz')
tgz.extractall()
os.remove('LATTE.tar.gz')
else:
sys.exit("File LATTE.tar.gz is not a supported archive")
# build LATTE
print("Building LATTE ...")
cmd = 'cd "%s"; make' % lattedir
if pathflag:
if not os.path.isdir(voropath):
sys.exit("Voro++ path %s does not exist" % voropath)
homedir = fullpath(voropath)
# download and unpack Voro++ tarball
if buildflag:
print("Downloading Voro++ ...")
vorotar = os.path.join(homepath, version) + '.tar.gz'
geturl(url, vorotar)
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version], vorotar):
sys.exit("Checksum for Voro++ library does not match")
print("Unpacking Voro++ tarball ...")
srcpath = os.path.join(homepath, version)
if os.path.exists(srcpath):
shutil.rmtree(srcpath)
if tarfile.is_tarfile(vorotar):
tgz = tarfile.open(vorotar)
tgz.extractall(path=homepath)
os.remove(vorotar)
else:
sys.exit("File %s is not a supported archive" % vorotar)
if os.path.basename(homedir) != version:
if os.path.exists(homedir):
shutil.rmtree(homedir)
sys.exit("Eigen path %s does not exist" % eigenpath)
eigenpath = fullpath(eigenpath)
# download and unpack Eigen tarball
# use glob to find name of dir it unpacks to
if buildflag:
print("Downloading Eigen ...")
eigentar = os.path.join(homepath, tarball)
url = "https://download.lammps.org/thirdparty/eigen-%s.tar.gz" % version
geturl(url, eigentar)
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
print("checking version %s\n" % version)
if not checkmd5sum(checksums[version], eigentar):
sys.exit("Checksum for Eigen library does not match")
print("Cleaning up old folders ...")
edir = glob.glob(os.path.join(homepath, "eigen-*"))
edir.append(eigenpath)
for one in edir:
if os.path.isdir(one):
shutil.rmtree(one)
print("Unpacking Eigen tarball ...")
if tarfile.is_tarfile(eigentar):
tgz = tarfile.open(eigentar)
tgz.extractall(path=homepath)
os.remove(eigentar)
else:
if not os.path.isdir(os.path.join(scafacospath, "include")):
sys.exit("ScaFaCoS include path for %s does not exist" % scafacospath)
if (not os.path.isdir(os.path.join(scafacospath, "lib64"))) \
and (not os.path.isdir(os.path.join(scafacospath, "lib"))):
sys.exit("ScaFaCoS lib path for %s does not exist" % scafacospath)
scafacospath = fullpath(scafacospath)
# download and unpack ScaFaCoS tarball
if buildflag:
print("Downloading ScaFaCoS ...")
geturl(url, "%s/scafacos-%s.tar.gz" % (homepath, version))
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version], '%s/scafacos-%s.tar.gz' % (homepath, version)):
sys.exit("Checksum for ScaFaCoS library does not match")
print("Unpacking ScaFaCoS tarball ...")
if os.path.exists(scafacospath):
shutil.rmtree(scafacospath)
tarname = os.path.join(homepath, "%s.tar.gz" % scafacospath)
if tarfile.is_tarfile(tarname):
tgz = tarfile.open(tarname)
tgz.extractall(path=homepath)
os.remove(tarname)
else:
sys.exit("File %s is not a supported archive" % tarname)
# build ScaFaCoS
print("Building ScaFaCoS ...")
if pathflag:
if not os.path.isdir(voropath):
sys.exit("Voro++ path %s does not exist" % voropath)
homedir = fullpath(voropath)
# download and unpack Voro++ tarball
if buildflag:
print("Downloading Voro++ ...")
vorotar = os.path.join(homepath, version) + '.tar.gz'
geturl(url, vorotar)
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version], vorotar):
sys.exit("Checksum for Voro++ library does not match")
print("Unpacking Voro++ tarball ...")
srcpath = os.path.join(homepath, version)
if os.path.exists(srcpath):
shutil.rmtree(srcpath)
if tarfile.is_tarfile(vorotar):
tgz = tarfile.open(vorotar)
tgz.extractall(path=homepath)
os.remove(vorotar)
else:
sys.exit("File %s is not a supported archive" % vorotar)
if os.path.basename(homedir) != version:
if os.path.exists(homedir):
shutil.rmtree(homedir)
cwd = os.getcwd()
lib = os.path.basename(cwd)
# download and unpack MDI_Library tarball
homepath = "."
homedir = "%s/MDI_Library" % homepath
print("Downloading MDI_Library ...")
mditar = "%s/v%s.tar.gz" % (homepath, version)
geturl(url, mditar)
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version], mditar):
sys.exit("Checksum for MDI library does not match")
print("Unpacking MDI_Library tarball ...")
if os.path.exists("%s/v%s" % (homepath, version)):
cmd = 'rm -rf "%s/v%s"' % (homepath, version)
subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
cmd = 'cd "%s"; tar -xzvf v%s.tar.gz' % (homepath, version)
subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
os.remove("%s/v%s.tar.gz" % (homepath, version))
if os.path.basename(homedir) != version:
if os.path.exists(homedir):
cmd = 'rm -rf "%s"' % homedir
subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
os.rename("%s/MDI_Library-%s" % (homepath, version), homedir)
sys.exit("Eigen path %s does not exist" % eigenpath)
eigenpath = fullpath(eigenpath)
# download and unpack Eigen tarball
# use glob to find name of dir it unpacks to
if buildflag:
print("Downloading Eigen ...")
eigentar = os.path.join(homepath, tarball)
url = "http://bitbucket.org/eigen/eigen/get/%s.tar.gz" % version
geturl(url, eigentar)
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
print("checking version %s\n" % version)
if not checkmd5sum(checksums[version], eigentar):
sys.exit("Checksum for Eigen library does not match")
print("Cleaning up old folders ...")
edir = glob.glob(os.path.join(homepath, "eigen-eigen-*"))
edir.append(eigenpath)
for one in edir:
if os.path.isdir(one):
shutil.rmtree(one)
print("Unpacking Eigen tarball ...")
if tarfile.is_tarfile(eigentar):
tgz = tarfile.open(eigentar)
tgz.extractall(path=homepath)
os.remove(eigentar)
