From a415a301d4f333c596e2f2ae51fddeb732fc8e2e Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Tue, 13 Oct 2020 20:59:03 +0200
Subject: [PATCH] int directory

---
 GoDuck                       | Bin 3342232 -> 3342232 bytes
 int/.gitignore               |   0
 libxc-tools/install_libxc.sh |   5 ++---
 src/.gitignore               |   2 ++
 src/Makefile                 |   1 -
 src/make_ninja.py            |  22 ++++++++++++++++------
 utils/install_numgrid.sh     |   2 +-
 7 files changed, 21 insertions(+), 11 deletions(-)
 create mode 100644 int/.gitignore

diff --git a/GoDuck b/GoDuck
index 8fd6ace0acbef002494ad952e94dd9a76ff9eb9c..5d75c8879a8b23f22c54babb9ed258b840763eb2 100755
GIT binary patch
delta 630
zcmXYsJ7^S96o#3-`$%>&F~(P7+!*8YoOO&^DPh5WS;58>i$nygF^$;hGKt797UP0X
zW@Qa%WwDS-m?BJ}f(XNcg_Uu!v{)@HC9Hbq+%10i_`iGZxwrK%v06HJVIc#BEON-B
zfDw$M2peN?FpeFVz)nnJ7j|P0_F^BVFpd3~!2y&oi-VZMA<W}2j^HSc;W$pbrE^QF
z*|-`lF44-kQ0F>zr&0<Vs}!qesa&JMw0e}%3#t{=6HUP@s#s!^*HoDkvfroO<h%P(
z^#l1z+4@}ak=%^X_9t?LLOanml|e#IPN@Bvewl&b3-wIreWk7?cJUjPjIDnscf`#8
zAlIDR{7JQ}boOtGjZOZLZ@TJViZg0VZ?i4#m4y1U+?)_<EO4bLw0WKfc|#Yt=Loeg
za<d>*zRdBcP=A?+_jRtZD_ywdaaUyL2KzZPaFZ)$t#^w{(uKiojzw1Q@Ia*$R#%6U
zGi&Tf6_xJ|uZ`*fuUj&({g9okko}lz8Rh8j)St3%XzO|Uq_k_d^af*JvTF$i>wKjs
h)PKW%KBWiV2J4h{PU^Tir*sx{PV1bByp6N&rT<aC+`Iq)

delta 630
zcmXYrJ7^S96o#3-`$%@27~hF;V|;tgI!3LOuwcKeU}K6!1cTLRBQ_c~5&6MlOd%%D
z${Ns0WFeJ0MHmEM2*aX<m2t7OSS>6ita|UcDSr6){(H{3&3~!W)VU1@87O3tLmmYT
zU=T&P*aQzl*o<Lp!B%X;cI?1T?7|2}u^VI9gA&HE7Zccr{WySwIE2GEf}=0!^t5{U
zX(pbUrfWm$m8SL;>WmnQX6GnT?@T#Q{ZW+|dPKE?daWsZLKR2a^eI&))O+pRH^x0*
zL|lDK4W$-4GjaNX{EX20NAiRsH`T2v!<4+7Q0p`OvIF54>RK0krH&)*)Hf>Gw*H;`
z0XzGHeEV+oC)Kjz+~1VgHvK~l>#Bb#$*3iL&2_k266%ff!m!ZnBv*<;t7o{Mw{(`f
zo>1!?FBF8z7dROd>RsZEeeKKai;LC*?x=_QMEfc?azf?nT*(LpH@GA&3U6{Es(Oq2
z%1~6D+n5}iXHQgIzGK#!ZS|0s9ijDm>}7@A`&_eo>kqhLX>G}T$xO7G`huN(%)X-{
n?ZRcgSQP3#<3`@l-C%`v$~wn%e4XPulR77KPR7B?DgXR`$#@0J

diff --git a/int/.gitignore b/int/.gitignore
new file mode 100644
index 0000000..e69de29
diff --git a/libxc-tools/install_libxc.sh b/libxc-tools/install_libxc.sh
index 0462915..c156d9c 100755
--- a/libxc-tools/install_libxc.sh
+++ b/libxc-tools/install_libxc.sh
@@ -1,9 +1,8 @@
 #!/bin/bash
 
-###git clone --single-branch --branch master https://gitlab.com/libxc/libxc.git
-tar -xzvf libxc-5.0.0.tar.gz
+wget https://gitlab.com/libxc/libxc/-/archive/5.0.0/libxc-5.0.0.tar.gz
+tar -xzf libxc-5.0.0.tar.gz
 cd libxc-5.0.0
-###autoreconf -i
 ./configure --prefix=$QUACK_ROOT
 make
 make check
diff --git a/src/.gitignore b/src/.gitignore
index 9681dd8..a5a9757 100644
--- a/src/.gitignore
+++ b/src/.gitignore
@@ -1,2 +1,4 @@
 *.
+.ninja_log
+build.ninja
 */Makefile
diff --git a/src/Makefile b/src/Makefile
index 7c72710..a5e2ac1 100644
--- a/src/Makefile
+++ b/src/Makefile
@@ -9,6 +9,5 @@ default:
 
 clean: 
 	python3 make_ninja.py
-	ninja -t clean
 	for i in */ ; do ninja -t clean ; done
 
diff --git a/src/make_ninja.py b/src/make_ninja.py
index adc41f9..0d81747 100755
--- a/src/make_ninja.py
+++ b/src/make_ninja.py
@@ -66,10 +66,9 @@ rule build_lib
   description = Linking $out
 
 """
-
+LIBS="$LDIR/libxcf90.a $LDIR/libxc.a $LDIR/libnumgrid.a "
 rule_build_exe = """
-
-LIBS = $LDIR/libxcf90.a $LDIR/libxc.a $LDIR/libnumgrid.a $LAPACK $STDCXX
+LIBS = {0} $LAPACK $STDCXX
 
 rule build_exe
   command = $FC $in $LIBS -o $out
@@ -81,7 +80,7 @@ rule build_lib
   pool = console
   description = Compiling $out
 
-"""
+""".format(LIBS)
 
 rule_git_clone = """
 rule git_clone
@@ -100,6 +99,15 @@ rule make_numgrid
 build $LDIR/libnumgrid.a: make_numgrid 
 """
   
+build_libxc = """
+rule make_libxc
+  command = cd $QUACK_ROOT/libxc-tools ; QUACK_ROOT="$QUACK_ROOT" CC="$CC" CXX="$CXX" FC="$FC" ./install_libxc.sh
+  description = Building libxc
+  pool = console
+
+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
+
+"""
 
 build_in_lib_dir = "\n".join([
 	header,
@@ -114,6 +122,7 @@ build_in_exe_dir = "\n".join([
 	compiler,
 	rule_fortran,
 	rule_build_exe,
+	build_libxc,
 ])
 
 build_main = "\n".join([
@@ -121,6 +130,7 @@ build_main = "\n".join([
         compiler,
         rule_git_clone,
         build_numgrid,
+	build_libxc,
 ])
 
 exe_dirs = [ "QuAcK", "eDFT" ]
@@ -163,14 +173,14 @@ def create_ninja_in_exedir(directory):
         objects = " ".join(objects)
         for libname in lib_dirs:
            f.write("build $LDIR/{0}.a: build_lib\n  dir = $SDIR/{0}\n".format(libname))
-        libs = " ".join([ "$LDIR/{0}.a".format(x) for x in lib_dirs])
+        libs = " ".join([ "$LDIR/{0}.a".format(x) for x in lib_dirs]) + " "+LIBS
         f.write("build $BDIR/{0}: build_exe {1} {2}\n".format(directory,libs,objects))
         f.write("default $BDIR/{0}\n".format(directory))
 
 
 def create_main_ninja():
 
-    libs = " ".join([ "$LDIR/{0}.a".format(x) for x in lib_dirs])
+    libs = " ".join([ "$LDIR/{0}.a".format(x) for x in lib_dirs]) + " "+LIBS
     with open("build.ninja","w") as f:
         f.write(build_main)
         f.write("""
diff --git a/utils/install_numgrid.sh b/utils/install_numgrid.sh
index 0fe411f..208dd72 100755
--- a/utils/install_numgrid.sh
+++ b/utils/install_numgrid.sh
@@ -6,5 +6,5 @@ cd numgrid
 cd build
 make
 cp lib/libnumgrid.a $LDIR/
-cp ..//numgrid/numgrid.f90 $SDIR/numgrid/
+cp ../numgrid/numgrid.f90 $SDIR/numgrid/