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authormaho <maho@FreeBSD.org>2004-03-07 05:50:13 +0800
committermaho <maho@FreeBSD.org>2004-03-07 05:50:13 +0800
commit5411ec839be40d9f0ed7790fdc17c070a40ef3b2 (patch)
treeb389b2b44ef128ea7b954ecc3ed843edfc619c84 /science/ghemical
parent6194ae30365b6da01d5a115136d1d27662bfdfcf (diff)
downloadfreebsd-ports-gnome-5411ec839be40d9f0ed7790fdc17c070a40ef3b2.tar.gz
freebsd-ports-gnome-5411ec839be40d9f0ed7790fdc17c070a40ef3b2.tar.zst
freebsd-ports-gnome-5411ec839be40d9f0ed7790fdc17c070a40ef3b2.zip
1) some cleanups and enhancements
2) sorry I didn't mention your PR PR: 63366 Submitted by: Vladimir I. Chukharev <chu@gpi.ru>
Diffstat (limited to 'science/ghemical')
-rw-r--r--science/ghemical/Makefile10
-rw-r--r--science/ghemical/files/ghemical-f2c.sh16
-rw-r--r--science/ghemical/pkg-plist1
3 files changed, 23 insertions, 4 deletions
diff --git a/science/ghemical/Makefile b/science/ghemical/Makefile
index 3bb4d18a2f70..6ff7b1ea4960 100644
--- a/science/ghemical/Makefile
+++ b/science/ghemical/Makefile
@@ -9,12 +9,13 @@ PORTVERSION= 1.01
CATEGORIES= science
MASTER_SITES= http://www.uku.fi/~thassine/ghemical/download/
DISTNAME= ${PORTNAME}-${PORTVERSION}
-EXTRACT_SUFX= .tgz
+EXTRACT_SUFX= .tgz
MAINTAINER= maho@FreeBSD.org
COMMENT= Ghemical is a computational chemistry software package
-BUILD_DEPENDS= ${LOCALBASE}/lib/libmpqc.a:${PORTSDIR}/science/mpqc
+BUILD_DEPENDS= ${LOCALBASE}/lib/libmpqc.a:${PORTSDIR}/science/mpqc \
+ f2c:${PORTSDIR}/lang/f2c
LIB_DEPENDS= glut:${PORTSDIR}/graphics/libglut \
gtkgl:${PORTSDIR}/x11-toolkits/gtkglarea \
glade-gnome:${PORTSDIR}/devel/libglade
@@ -22,7 +23,7 @@ LIB_DEPENDS= glut:${PORTSDIR}/graphics/libglut \
USE_GMAKE= yes
USE_REINPLACE= yes
USE_GTK= yes
-GNU_CONFIGURE= yes
+GNU_CONFIGURE= yes
CONFIGURE_ARGS= --enable-mpqc
USE_AUTOCONF= yes
@@ -36,6 +37,9 @@ pre-patch:
@${REINPLACE_CMD} -e 's|gtk-config|${GTK_CONFIG}|g; s|-lgtk|-lgtk12|g;' \
${WRKSRC}/Makefile.in
pre-build:
+ @${REINPLACE_CMD} -e 's|MAXHEV=60, MAXLIT=60|MAXHEV=90, MAXLIT=90|g;' \
+ ${WRKSRC}/miniMOPAC/fortran/SIZES
+ (cd ${WRKSRC}/miniMOPAC ; ${SH} ${FILESDIR}/ghemical-f2c.sh)
@${REINPLACE_CMD} -e 's|f2c.h|g2c.h|g;' ${WRKSRC}/miniMOPAC/*.c
@${REINPLACE_CMD} -e 's|f2c.h|g2c.h|g;' ${WRKSRC}/src/common/qm1e_mopac.cpp
.include <bsd.port.mk>
diff --git a/science/ghemical/files/ghemical-f2c.sh b/science/ghemical/files/ghemical-f2c.sh
new file mode 100644
index 000000000000..9a1a37200c41
--- /dev/null
+++ b/science/ghemical/files/ghemical-f2c.sh
@@ -0,0 +1,16 @@
+#
+# Make new c sources from fortran sources, restore changes,
+# made by Tommi Hassinen (3 comments are corrected additionally).
+# Should be started in miniMOPAC directory.
+
+f2c fortran/*.f
+cp fortran/*.c ./
+sed -e 's,/\* fortran/\(.*\)\.f -- translated by f2c (version 20000817),/\* \1.f -- translated by f2c (version 19991025),' \
+-e 's,dscal_,mMdscal_,g' \
+-e 's,dswap_,mMdswap_,g' \
+-e 's,daxpy_,mMdaxpy_,g' \
+-i '' *.c
+mv etime.c etime.c.orig
+head -18 etime.c.orig > etime.c
+echo '#include <time.h>' >> etime.c
+tail +19 etime.c.orig >> etime.c
diff --git a/science/ghemical/pkg-plist b/science/ghemical/pkg-plist
index 3e9d42890471..707c340eeb90 100644
--- a/science/ghemical/pkg-plist
+++ b/science/ghemical/pkg-plist
@@ -141,4 +141,3 @@ share/gnome/help/ghemical/C/visualization.html
@dirrm share/ghemical/1.01/glade
@dirrm share/ghemical/1.01
@dirrm share/ghemical
-