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https://github.com/pfloos/quack
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int directory
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int/.gitignore
vendored
Normal file
0
int/.gitignore
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@ -1,9 +1,8 @@
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#!/bin/bash
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#!/bin/bash
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###git clone --single-branch --branch master https://gitlab.com/libxc/libxc.git
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wget https://gitlab.com/libxc/libxc/-/archive/5.0.0/libxc-5.0.0.tar.gz
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tar -xzvf libxc-5.0.0.tar.gz
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tar -xzf libxc-5.0.0.tar.gz
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cd libxc-5.0.0
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cd libxc-5.0.0
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###autoreconf -i
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./configure --prefix=$QUACK_ROOT
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./configure --prefix=$QUACK_ROOT
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make
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make
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make check
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make check
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2
src/.gitignore
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2
src/.gitignore
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@ -1,2 +1,4 @@
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*.
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*.
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.ninja_log
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build.ninja
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*/Makefile
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*/Makefile
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@ -9,6 +9,5 @@ default:
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clean:
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clean:
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python3 make_ninja.py
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python3 make_ninja.py
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ninja -t clean
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for i in */ ; do ninja -t clean ; done
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for i in */ ; do ninja -t clean ; done
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@ -66,10 +66,9 @@ rule build_lib
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description = Linking $out
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description = Linking $out
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"""
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"""
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LIBS="$LDIR/libxcf90.a $LDIR/libxc.a $LDIR/libnumgrid.a "
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rule_build_exe = """
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rule_build_exe = """
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LIBS = {0} $LAPACK $STDCXX
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LIBS = $LDIR/libxcf90.a $LDIR/libxc.a $LDIR/libnumgrid.a $LAPACK $STDCXX
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rule build_exe
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rule build_exe
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command = $FC $in $LIBS -o $out
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command = $FC $in $LIBS -o $out
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@ -81,7 +80,7 @@ rule build_lib
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pool = console
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pool = console
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description = Compiling $out
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description = Compiling $out
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"""
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""".format(LIBS)
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rule_git_clone = """
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rule_git_clone = """
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rule git_clone
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rule git_clone
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@ -100,6 +99,15 @@ rule make_numgrid
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build $LDIR/libnumgrid.a: make_numgrid
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build $LDIR/libnumgrid.a: make_numgrid
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"""
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"""
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build_libxc = """
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rule make_libxc
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command = cd $QUACK_ROOT/libxc-tools ; QUACK_ROOT="$QUACK_ROOT" CC="$CC" CXX="$CXX" FC="$FC" ./install_libxc.sh
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description = Building libxc
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pool = console
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build $LDIR/libxc.a $LDIR/libxcf90.a $IDIR/xc.h $IDIR/xc_funcs_removed.h $IDIR/xc_f90_lib_m.mod $IDIR/xc_funcs_worker.h $IDIR/xc_funcs.h $IDIR/xc_version.h: make_libxc
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"""
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build_in_lib_dir = "\n".join([
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build_in_lib_dir = "\n".join([
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header,
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header,
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@ -114,6 +122,7 @@ build_in_exe_dir = "\n".join([
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compiler,
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compiler,
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rule_fortran,
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rule_fortran,
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rule_build_exe,
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rule_build_exe,
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build_libxc,
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])
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])
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build_main = "\n".join([
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build_main = "\n".join([
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@ -121,6 +130,7 @@ build_main = "\n".join([
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compiler,
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compiler,
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rule_git_clone,
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rule_git_clone,
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build_numgrid,
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build_numgrid,
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build_libxc,
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])
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])
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exe_dirs = [ "QuAcK", "eDFT" ]
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exe_dirs = [ "QuAcK", "eDFT" ]
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@ -163,14 +173,14 @@ def create_ninja_in_exedir(directory):
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objects = " ".join(objects)
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objects = " ".join(objects)
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for libname in lib_dirs:
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for libname in lib_dirs:
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f.write("build $LDIR/{0}.a: build_lib\n dir = $SDIR/{0}\n".format(libname))
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f.write("build $LDIR/{0}.a: build_lib\n dir = $SDIR/{0}\n".format(libname))
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libs = " ".join([ "$LDIR/{0}.a".format(x) for x in lib_dirs])
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libs = " ".join([ "$LDIR/{0}.a".format(x) for x in lib_dirs]) + " "+LIBS
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f.write("build $BDIR/{0}: build_exe {1} {2}\n".format(directory,libs,objects))
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f.write("build $BDIR/{0}: build_exe {1} {2}\n".format(directory,libs,objects))
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f.write("default $BDIR/{0}\n".format(directory))
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f.write("default $BDIR/{0}\n".format(directory))
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def create_main_ninja():
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def create_main_ninja():
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libs = " ".join([ "$LDIR/{0}.a".format(x) for x in lib_dirs])
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libs = " ".join([ "$LDIR/{0}.a".format(x) for x in lib_dirs]) + " "+LIBS
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with open("build.ninja","w") as f:
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with open("build.ninja","w") as f:
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f.write(build_main)
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f.write(build_main)
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f.write("""
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f.write("""
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@ -6,5 +6,5 @@ cd numgrid
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cd build
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cd build
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make
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make
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cp lib/libnumgrid.a $LDIR/
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cp lib/libnumgrid.a $LDIR/
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cp ..//numgrid/numgrid.f90 $SDIR/numgrid/
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cp ../numgrid/numgrid.f90 $SDIR/numgrid/
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