From be721fe75aaf4cbb0541c390c7e0d84421bd338e Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 3 Dec 2018 19:47:10 -0500 Subject: [PATCH] more Install.py refactoring --- lib/kim/Install.py | 70 +++++--------------------------- lib/plumed/Install.py | 89 +++++++---------------------------------- lib/scafacos/Install.py | 73 ++++++--------------------------- 3 files changed, 37 insertions(+), 195 deletions(-) diff --git a/lib/kim/Install.py b/lib/kim/Install.py index 6cc1a1abc2..46849873cb 100644 --- a/lib/kim/Install.py +++ b/lib/kim/Install.py @@ -5,6 +5,8 @@ from __future__ import print_function import sys,os,re,subprocess,shutil +sys.path.append('..') +from install_helpers import error,fullpath,which,geturl # help message @@ -51,64 +53,13 @@ https://openkim.org/kim-api in the "What is in the KIM API source package?" section """ -def error(str=None): - if not str: print(help) - else: print("ERROR",str) - sys.exit() - -# expand to full path name -# process leading '~' or relative path - -def fullpath(path): - return os.path.abspath(os.path.expanduser(path)) - -def which(program): - def is_exe(fpath): - return os.path.isfile(fpath) and os.access(fpath, os.X_OK) - - fpath, fname = os.path.split(program) - if fpath: - if is_exe(program): - return program - else: - for path in os.environ["PATH"].split(os.pathsep): - path = path.strip('"') - exe_file = os.path.join(path, program) - if is_exe(exe_file): - return exe_file - - return None - -def geturl(url,fname): - success = False - - if which('curl') != None: - cmd = 'curl -L -o "%s" %s' % (fname,url) - try: - subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) - success = True - except subprocess.CalledProcessError as e: - print("Calling curl failed with: %s" % e.output.decode('UTF-8')) - - if not success and which('wget') != None: - cmd = 'wget -O "%s" %s' % (fname,url) - try: - subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) - success = True - except subprocess.CalledProcessError as e: - print("Calling wget failed with: %s" % e.output.decode('UTF-8')) - - if not success: - error("Failed to download source code with 'curl' or 'wget'") - return - # parse args args = sys.argv[1:] nargs = len(args) -if nargs == 0: error() +if nargs == 0: error(help=help) -thisdir = os.environ['PWD'] +thisdir = fullpath('.') version = "kim-api-v1.9.5" buildflag = False @@ -120,7 +71,7 @@ pathflag = False iarg = 0 while iarg < len(args): if args[iarg] == "-v": - if iarg+2 > len(args): error() + if iarg+2 > len(args): error(help=help) version = args[iarg+1] iarg += 2 elif args[iarg] == "-b": @@ -130,14 +81,14 @@ while iarg < len(args): buildflag = False iarg += 1 elif args[iarg] == "-p": - if iarg+2 > len(args): error() + if iarg+2 > len(args): error(help=help) kimdir = fullpath(args[iarg+1]) pathflag = True buildflag = False iarg += 2 elif args[iarg] == "-a": addflag = True - if iarg+2 > len(args): error() + if iarg+2 > len(args): error(help=help) addmodelname = args[iarg+1] if addmodelname == "everything": buildflag = True @@ -147,9 +98,8 @@ while iarg < len(args): elif args[iarg] == "-vv": verboseflag = True iarg += 1 - else: error() + else: error(help=help) -thisdir = os.path.abspath(thisdir) url = "https://s3.openkim.org/kim-api/%s.txz" % version # set KIM API directory @@ -157,7 +107,7 @@ url = "https://s3.openkim.org/kim-api/%s.txz" % version if pathflag: if not os.path.isdir(kimdir): print("\nkim-api is not installed at %s" % kimdir) - error() + error(help=help) # configure LAMMPS to use existing kim-api installation with open("%s/Makefile.KIM_DIR" % thisdir, 'w') as mkfile: @@ -247,7 +197,7 @@ if addflag: if not os.path.isdir(kimdir): print("\nkim-api is not installed") - error() + error(help=help) # download single model cmd = '%s/bin/kim-api-v1-collections-management install system %s' % (kimdir.decode("UTF-8"), addmodelname) diff --git a/lib/plumed/Install.py b/lib/plumed/Install.py index 8d844678cd..fecd565d35 100644 --- a/lib/plumed/Install.py +++ b/lib/plumed/Install.py @@ -5,6 +5,8 @@ from __future__ import print_function import sys,os,re,subprocess,hashlib,shutil +sys.path.append('..') +from install_helpers import error,get_cpus,fullpath,which,geturl,checkmd5sum # help message @@ -42,74 +44,11 @@ checksums = { \ '2.5b' : 'e341bdef469be1da058b8a0b97a3db22', \ } -# print error message or help -def error(str=None): - if not str: print(help) - else: print("ERROR",str) - sys.exit() - -# expand to full path name -# process leading '~' or relative path - -def fullpath(path): - return os.path.abspath(os.path.expanduser(path)) - -def which(program): - def is_exe(fpath): - return os.path.isfile(fpath) and os.access(fpath, os.X_OK) - - fpath, fname = os.path.split(program) - if fpath: - if is_exe(program): - return program - else: - for path in os.environ["PATH"].split(os.pathsep): - path = path.strip('"') - exe_file = os.path.join(path, program) - if is_exe(exe_file): - return exe_file - - return None - -def geturl(url,fname): - success = False - - if which('curl') != None: - cmd = 'curl -L -o "%s" %s' % (fname,url) - try: - subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) - success = True - except subprocess.CalledProcessError as e: - print("Calling curl failed with: %s" % e.output.decode('UTF-8')) - - if not success and which('wget') != None: - cmd = 'wget -O "%s" %s' % (fname,url) - try: - subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) - success = True - except subprocess.CalledProcessError as e: - print("Calling wget failed with: %s" % e.output.decode('UTF-8')) - - if not success: - error("Failed to download source code with 'curl' or 'wget'") - return - -def checkmd5sum(md5sum,fname): - with open(fname,'rb') as fh: - m = hashlib.md5() - while True: - data = fh.read(81920) - if not data: - break - m.update(data) - fh.close() - return m.hexdigest() == md5sum - # parse args args = sys.argv[1:] nargs = len(args) -if nargs == 0: error() +if nargs == 0: error(help=help) homepath = "." @@ -121,22 +60,22 @@ linkflag = True iarg = 0 while iarg < nargs: if args[iarg] == "-v": - if iarg+2 > nargs: error() + if iarg+2 > nargs: error(help=help) version = args[iarg+1] iarg += 2 elif args[iarg] == "-p": - if iarg+2 > nargs: error() + if iarg+2 > nargs: error(help=help) plumedpath = fullpath(args[iarg+1]) pathflag = True iarg += 2 elif args[iarg] == "-m": - if iarg+2 > nargs: error() + if iarg+2 > nargs: error(help=help) mode = args[iarg+1] iarg += 2 elif args[iarg] == "-b": buildflag = True iarg += 1 - else: error() + else: error(help=help) homepath = fullpath(homepath) homedir = "%s/plumed2" % (homepath) @@ -178,14 +117,14 @@ if buildflag: # build plumed print("Building plumed ...") - try: - import multiprocessing - n_cpus = multiprocessing.cpu_count() - except: - n_cpus = 1 + 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) - txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) - print(txt.decode('UTF-8')) + try: + txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) + print(txt.decode('UTF-8')) + except subprocess.CalledProcessError as e: + print("Make failed with:\n %s" % e.output.decode('UTF-8')) + sys.exit(1) # create 2 links in lib/plumed to plumed2 installation dir diff --git a/lib/scafacos/Install.py b/lib/scafacos/Install.py index 8e342ad1ba..34247839cd 100644 --- a/lib/scafacos/Install.py +++ b/lib/scafacos/Install.py @@ -5,6 +5,8 @@ from __future__ import print_function import sys,os,re,subprocess,shutil +sys.path.append('..') +from install_helpers import error,fullpath,which,geturl # help message @@ -33,60 +35,6 @@ version = "scafacos-1.0.1" url = "https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz" #url = "https://gigamove.rz.rwth-aachen.de/d/id/CTzyApN76MXMJ6/dd/100" % version -# print error message or help - -def error(str=None): - if not str: print(help) - else: print("ERROR",str) - sys.exit() - -# expand to full path name -# process leading '~' or relative path - -def fullpath(path): - return os.path.abspath(os.path.expanduser(path)) - -def which(program): - def is_exe(fpath): - return os.path.isfile(fpath) and os.access(fpath, os.X_OK) - - fpath, fname = os.path.split(program) - if fpath: - if is_exe(program): - return program - else: - for path in os.environ["PATH"].split(os.pathsep): - path = path.strip('"') - exe_file = os.path.join(path, program) - if is_exe(exe_file): - return exe_file - - return None - -def geturl(url,fname): - success = False - - if which('curl') != None: - cmd = 'curl -L -o "%s" %s' % (fname,url) - try: - subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) - success = True - except subprocess.CalledProcessError as e: - print("Calling curl failed with: %s" % e.output.decode('UTF-8')) - - if not success and which('wget') != None: - cmd = 'wget -O "%s" %s' % (fname,url) - print("Wget command: %s" % cmd) - try: - subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) - success = True - except subprocess.CalledProcessError as e: - print("Calling wget failed with: %s" % e.output.decode('UTF-8')) - - if not success: - error("Failed to download source code with 'curl' or 'wget'") - return - # parse args args = sys.argv[1:] @@ -101,18 +49,18 @@ linkflag = True iarg = 0 while iarg < nargs: if args[iarg] == "-v": - if iarg+2 > nargs: error() + if iarg+2 > nargs: error(help=help) version = args[iarg+1] iarg += 2 elif args[iarg] == "-p": - if iarg+2 > nargs: error() + if iarg+2 > nargs: error(help=help) scafacospath = fullpath(args[iarg+1]) pathflag = True iarg += 2 elif args[iarg] == "-b": buildflag = True iarg += 1 - else: error() + else: error(help=help) homepath = fullpath(homepath) homedir = "%s/%s" % (homepath,version) @@ -145,9 +93,14 @@ if buildflag: if buildflag: print("Building Scafacos ...") - cmd = 'cd "%s"; ./configure --prefix="`pwd`/build" --disable-doc --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m --with-internal-fftw --with-internal-pfft --with-internal-pnfft CC=mpicc FC=mpif90 CXX=mpicxx F77= > log.txt; make -j; make install' % homedir - txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) - print(txt.decode('UTF-8')) + n_cpu = get_gpus() + cmd = 'cd "%s"; ./configure --prefix="%s/build" --disable-doc --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m --with-internal-fftw --with-internal-pfft --with-internal-pnfft CC=mpicc FC=mpif90 CXX=mpicxx F77=; make -j%d; make install' % (homedir,homedir,n_cpu) + try: + txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) + print(txt.decode('UTF-8')) + except subprocess.CalledProcessError as e: + print("Make failed with:\n %s" % e.output.decode('UTF-8')) + sys.exit(1) # create 2 links in lib/scafacos to Scafacos include/lib dirs