1#!/usr/bin/env python 2 3# install.py tool to do a generic build of a library 4# soft linked to by many of the lib/Install.py files 5# used to automate the steps described in the corresponding lib/README 6 7from __future__ import print_function 8import sys,os,subprocess 9import glob 10 11sys.path.append('..') 12from install_helpers import checkmd5sum 13 14# help message 15 16help = """ 17Syntax from src dir: make lib-libname args="-m machine -e suffix" 18Syntax from lib dir: python Install.py -m machine -e suffix 19 20libname = name of lib dir (e.g. atc, h5md, meam, poems, etc) 21specify -m and optionally -e, order does not matter 22 23 -m = peform a clean followed by "make -f Makefile.machine" 24 machine = suffix of a lib/Makefile.* file 25 -e = set EXTRAMAKE variable in Makefile.machine to Makefile.lammps.suffix 26 does not alter existing Makefile.machine 27 28Examples: 29 30make lib-poems args="-m serial" # build POEMS lib with same settings as in the serial Makefile in src 31make lib-colvars args="-m mpi" # build COLVARS lib with same settings as in the mpi Makefile in src 32make lib-meam args="-m ifort" # build MEAM lib with custom Makefile.ifort (using Intel Fortran) 33""" 34 35# settings 36 37version = "1.2.9" 38url = "https://github.com/MolSSI-MDI/MDI_Library/archive/v%s.tar.gz" % version 39 40# known checksums for different MDI versions. used to validate the download. 41checksums = { \ 42 '1.2.7' : '2f3177b30ccdbd6ae28ea3bdd5fed0db', \ 43 '1.2.9' : 'ddfa46d6ee15b4e59cfd527ec7212184', \ 44 } 45 46# print error message or help 47 48def error(str=None): 49 if not str: print(help) 50 else: print("ERROR",str) 51 sys.exit() 52 53 # expand to full path name 54# process leading '~' or relative path 55 56def fullpath(path): 57 return os.path.abspath(os.path.expanduser(path)) 58 59def which(program): 60 def is_exe(fpath): 61 return os.path.isfile(fpath) and os.access(fpath, os.X_OK) 62 63 fpath, fname = os.path.split(program) 64 if fpath: 65 if is_exe(program): 66 return program 67 else: 68 for path in os.environ["PATH"].split(os.pathsep): 69 path = path.strip('"') 70 exe_file = os.path.join(path, program) 71 if is_exe(exe_file): 72 return exe_file 73 74 return None 75 76def geturl(url,fname): 77 success = False 78 79 if which('curl') != None: 80 cmd = 'curl -L -o "%s" %s' % (fname,url) 81 try: 82 subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) 83 success = True 84 except subprocess.CalledProcessError as e: 85 print("Calling curl failed with: %s" % e.output.decode('UTF-8')) 86 87 if not success and which('wget') != None: 88 cmd = 'wget -O "%s" %s' % (fname,url) 89 try: 90 subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) 91 success = True 92 except subprocess.CalledProcessError as e: 93 print("Calling wget failed with: %s" % e.output.decode('UTF-8')) 94 95 if not success: 96 error("Failed to download source code with 'curl' or 'wget'") 97 return 98 99# parse args 100 101args = sys.argv[1:] 102nargs = len(args) 103if nargs == 0: error() 104 105machine = None 106extraflag = 0 107 108iarg = 0 109while iarg < nargs: 110 if args[iarg] == "-m": 111 if iarg+2 > nargs: error() 112 machine = args[iarg+1] 113 iarg += 2 114 elif args[iarg] == "-e": 115 if iarg+2 > nargs: error() 116 extraflag = 1 117 suffix = args[iarg+1] 118 iarg += 2 119 else: error() 120 121# set lib from working dir 122 123cwd = os.getcwd() 124lib = os.path.basename(cwd) 125 126# download and unpack MDI_Library tarball 127 128homepath = "." 129homedir = "%s/MDI_Library" % homepath 130 131print("Downloading MDI_Library ...") 132mditar = "%s/v%s.tar.gz" % (homepath,version) 133geturl(url, mditar) 134 135# verify downloaded archive integrity via md5 checksum, if known. 136if version in checksums: 137 if not checkmd5sum(checksums[version], mditar): 138 sys.exit("Checksum for MDI library does not match") 139 140print("Unpacking MDI_Library tarball ...") 141if os.path.exists("%s/v%s" % (homepath,version)): 142 cmd = 'rm -rf "%s/v%s"' % (homepath,version) 143 subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) 144cmd = 'cd "%s"; tar -xzvf v%s.tar.gz' % (homepath,version) 145subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) 146os.remove("%s/v%s.tar.gz" % (homepath,version)) 147if os.path.basename(homedir) != version: 148 if os.path.exists(homedir): 149 cmd = 'rm -rf "%s"' % homedir 150 subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) 151 os.rename("%s/MDI_Library-%s" % (homepath,version),homedir) 152 153# create Makefile.auto as copy of Makefile.machine 154# reset EXTRAMAKE if requested 155 156if not os.path.exists("Makefile.%s" % machine): 157 error("lib/%s/Makefile.%s does not exist" % (lib,machine)) 158 159lines = open("Makefile.%s" % machine,'r').readlines() 160fp = open("Makefile.auto",'w') 161 162has_extramake = False 163for line in lines: 164 words = line.split() 165 if len(words) == 3 and words[0] == "EXTRAMAKE" and words[1] == '=': 166 has_extramake = True 167 if extraflag: 168 line = line.replace(words[2],"Makefile.lammps.%s" % suffix) 169 fp.write(line) 170 171fp.close() 172 173# make the library via Makefile.auto optionally with parallel make 174 175try: 176 import multiprocessing 177 n_cpus = multiprocessing.cpu_count() 178except: 179 n_cpus = 1 180 181print("Building lib%s.so ..." % lib) 182cmd = "make -f Makefile.auto clean; make -f Makefile.auto -j%d" % n_cpus 183txt = subprocess.check_output(cmd,shell=True,stderr=subprocess.STDOUT) 184print(txt.decode('UTF-8')) 185 186# create 2 links in lib/mdi to MDI Library src dir 187 188print("Creating links to MDI Library include and lib files") 189if os.path.isfile("includelink") or os.path.islink("includelink"): 190 os.remove("includelink") 191if os.path.isfile("liblink") or os.path.islink("liblink"): 192 os.remove("liblink") 193os.symlink(os.path.join(homedir, 'MDI_Library'), 'includelink') 194os.symlink(os.path.join(homepath, 'build', 'MDI_Library'), 'liblink') 195 196# Append the -rpath option to Makefile.lammps 197 198dir_path = os.path.dirname(os.path.realpath(__file__)) 199rpath_option = "-Wl,-rpath=" + str(dir_path) + "/liblink" 200makefile_lammps = open(str(dir_path) + "/Makefile.lammps", "a") 201makefile_lammps.write(str(rpath_option) + "\n") 202makefile_lammps.close() 203 204 205shared_files = glob.glob( os.path.join( homepath, "liblink", "lib%s.so*" % lib) ) 206if len(shared_files) > 0: 207 print("Build was successful") 208else: 209 error("Build of lib/%s/lib%s.so was NOT successful" % (lib,lib)) 210if has_extramake and not os.path.exists("Makefile.lammps"): 211 print("lib/%s/Makefile.lammps was NOT created" % lib) 212