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Date:      Sun, 10 May 2020 21:40:09 +0000 (UTC)
From:      Yuri Victorovich <yuri@FreeBSD.org>
To:        ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org
Subject:   svn commit: r534867 - in head/science/ghemical: . files
Message-ID:  <202005102140.04ALe9sg050592@repo.freebsd.org>

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Author: yuri
Date: Sun May 10 21:40:08 2020
New Revision: 534867
URL: https://svnweb.freebsd.org/changeset/ports/534867

Log:
  science/ghemical: Not compatible with the upcoming OpenBabel-3 => disable this internal option

Added:
  head/science/ghemical/files/patch-src_filetrans.cpp   (contents, props changed)
Modified:
  head/science/ghemical/Makefile

Modified: head/science/ghemical/Makefile
==============================================================================
--- head/science/ghemical/Makefile	Sun May 10 21:36:49 2020	(r534866)
+++ head/science/ghemical/Makefile	Sun May 10 21:40:08 2020	(r534867)
@@ -3,7 +3,7 @@
 
 PORTNAME=	ghemical
 PORTVERSION=	3.0.0
-PORTREVISION=	19
+PORTREVISION=	20
 CATEGORIES=	science
 MASTER_SITES=	http://bioinformatics.org/ghemical/download/%SUBDIR%/
 MASTER_SITE_SUBDIR=	release20111012 current
@@ -22,7 +22,6 @@ LIB_DEPENDS=	libblas.so:math/blas \
 		libint.so:science/libint \
 		liblapack.so:math/lapack \
 		liboglappth.so:science/liboglappth \
-		libopenbabel.so:science/openbabel \
 		libmopac7.so:biology/mopac \
 		libmpqc.so:science/mpqc
 RUN_DEPENDS=	xdg-open:devel/xdg-utils
@@ -30,7 +29,7 @@ RUN_DEPENDS=	xdg-open:devel/xdg-utils
 USES=		compiler:c++11-lang fortran gettext gl gmake gnome pathfix \
 		pkgconfig xorg
 GNU_CONFIGURE=	yes
-CONFIGURE_ARGS=	--enable-gtk --enable-threads --enable-openbabel
+CONFIGURE_ARGS=	--enable-gtk --enable-threads --disable-openbabel # not compatible with OpenBabel-3 so it is disabled
 USE_GNOME=	cairo gdkpixbuf2 gtk20 libglade2 intltool pangox-compat
 USE_GL=		gl glu
 USE_XORG=	x11
@@ -43,5 +42,6 @@ PLIST_SUB=	GHEMICAL_VERSION="${PORTVERSION}"
 post-patch:
 	@${REINPLACE_CMD} -e \
 		's|"mozilla "|"xdg-open "|' ${WRKSRC}/src/gtk_app.cpp
+	@${REINPLACE_CMD} -e 's|openbabel-2.0|openbabel-3|' ${WRKSRC}/configure # attempt at OpenBabel-3 compatibility
 
 .include <bsd.port.mk>

Added: head/science/ghemical/files/patch-src_filetrans.cpp
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/ghemical/files/patch-src_filetrans.cpp	Sun May 10 21:40:08 2020	(r534867)
@@ -0,0 +1,28 @@
+attempt at OpenBabel-3 compatibility
+--- src/filetrans.cpp.orig	2011-09-14 17:10:38 UTC
++++ src/filetrans.cpp
+@@ -38,6 +38,8 @@ using namespace std;
+ #include <openbabel/data.h>
+ #include <openbabel/typer.h>
+ #include <openbabel/obconversion.h>
++#include <openbabel/atom.h>
++#include <openbabel/bond.h>
+ 
+ using namespace std;
+ using namespace OpenBabel;
+@@ -46,6 +48,7 @@ using namespace OpenBabel;
+ #define FORMAT_PATH (char *) project::appdata_path
+ #endif	// FORMAT_PATH
+ 
++#if 0
+ namespace OpenBabel
+ {
+ 	extern OBAromaticTyper aromtyper;
+@@ -55,6 +58,7 @@ namespace OpenBabel
+ 	extern OBChainsParser chainsparser;
+ 	extern OBIsotopeTable isotab;
+ }
++#endif
+ 
+ /*################################################################################################*/
+ 



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