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Traditional make process auto-download works

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Implemented via Install.py script
This commit is contained in:
Andreas Singraber
2021-05-12 00:06:31 +02:00
parent f61b02eebf
commit 2013c478ed
3 changed files with 16 additions and 34 deletions
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21
lib/hdnnp/Install.py
View File

@ -17,16 +17,16 @@ parser = ArgumentParser(prog='Install.py',
# settings
version = "2.1.3"
version = "2.1.4"
# help message
HELP = """
Syntax from src dir: make lib-hdnnp args="-b"
or: make lib-hdnnp args="-b -v 2.1.3"
or: make lib-hdnnp args="-b -v 2.1.4"
or: make lib-hdnnp args="-p /usr/local/n2p2"
Syntax from lib dir: python Install.py -b -v 2.1.3
Syntax from lib dir: python Install.py -b -v 2.1.4
or: python Install.py -b
or: python Install.py -p /usr/local/n2p2
@ -38,7 +38,7 @@ make lib-hdnnp args="-p $HOME/n2p2" # use existing n2p2 installation in $HOME/n2
# known checksums for different n2p2 versions. used to validate the download.
checksums = { \
'2.1.3' : '5cd30194701db198e4a72ee94fa6e0db', \
'2.1.4' : '9595b066636cd6b90b0fef93398297a5', \
}
# parse and process arguments
@ -61,7 +61,6 @@ if not args.build and not args.path:
buildflag = args.build
pathflag = args.path is not None
n2p2path = args.path
mode = args.mode
homepath = fullpath('.')
homedir = "%s/n2p2" % (homepath)
@ -98,7 +97,7 @@ if buildflag:
# build n2p2
print("Building n2p2 ...")
n_cpus = get_cpus()
cmd = 'cd %s/n2p2-%s/src; make -j%d libnnpif' % (homepath, version, n_cpus)
cmd = 'unset MAKEFLAGS MAKELEVEL MAKEOVERRIDES MFLAGS && cd %s/n2p2-%s/src && make -j%d libnnpif' % (homepath, version, n_cpus)
try:
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
print(txt.decode('UTF-8'))
@ -106,6 +105,9 @@ if buildflag:
print("Make failed with:\n %s" % e.output.decode('UTF-8'))
sys.exit(1)
# set correct homedir for linking step
homedir = "%s/n2p2-%s" % (homepath, version)
# create 2 links in lib/hdnnp to n2p2 installation dir
print("Creating links to n2p2 include and lib files")
@ -113,5 +115,8 @@ 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")
os.symlink(os.path.join(homedir, 'src'), 'includelink')
os.symlink(os.path.join(homedir, 'src'), 'liblink')
if os.path.isfile("Makefile.lammps") or os.path.islink("Makefile.lammps"):
os.remove("Makefile.lammps")
os.symlink(os.path.join(homedir, 'include'), 'includelink')
os.symlink(os.path.join(homedir, 'lib'), 'liblink')
os.symlink(os.path.join(homedir, 'lib', 'Makefile.lammps-extra'), 'Makefile.lammps')

24
lib/hdnnp/Makefile.lammps
View File

@ -1,24 +0,0 @@
# Settings that the LAMMPS build will import when this package library is used
# Normally, you do NOT need to edit this file!
# Check out if n2p2 or a link is right here.
N2P2_LOCALDIR=$(realpath ../../lib/hdnnp/n2p2)
ifeq ($(N2P2_DIR),)
N2P2_DIR=$(shell test -d $(N2P2_LOCALDIR) && echo $(N2P2_LOCALDIR))
else
# If n2p2 is not found in this directory then use environment variable or set manually here:
# N2P2_DIR=
endif
# Give up if n2p2 not found yet.
ifeq ($(N2P2_DIR),)
$(error Cannot find library for USER-HDNNP package, please set environment or make variable N2P2_DIR manually.)
endif
# Read extra N2P2_ compilation flags from makefile provided by n2p2:
include $(N2P2_DIR)/lib/Makefile.lammps-extra
# Next, add general info to include/lib/path variables.
hdnnp_SYSINC += -I$(N2P2_DIR)/include
hdnnp_SYSLIB += -L$(N2P2_DIR)/lib -lnnpif -lnnp
hdnnp_SYSPATH +=

5
src/USER-HDNNP/Install.sh
View File

@ -38,6 +38,8 @@ if (test $1 = 1) then
if (test -e ../Makefile.package) then
sed -i -e 's/[^ \t]*hdnnp[^ \t]* //g' ../Makefile.package
sed -i -e 's|^PKG_INC =[ \t]*|&-I../../lib/hdnnp/includelink |' ../Makefile.package
sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/hdnnp/liblink |' ../Makefile.package
sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(hdnnp_SYSINC) |' ../Makefile.package
sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(hdnnp_SYSLIB) |' ../Makefile.package
sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(hdnnp_SYSPATH) |' ../Makefile.package
@ -47,9 +49,8 @@ if (test $1 = 1) then
sed -i -e '/^include.*hdnnp.*$/d' ../Makefile.package.settings
# multiline form needed for BSD sed on Macs
sed -i -e '4 i \
include ..\/..\/lib\/hdnnp\/Makefile.lammps\
include ..\/..\/lib\/hdnnp\/Makefile.lammps
' ../Makefile.package.settings
fi
elif (test $1 = 0) then