diff options
| -rw-r--r-- | .SRCINFO | 5 | ||||
| -rw-r--r-- | PKGBUILD | 14 | ||||
| -rw-r--r-- | openbabel3.patch | 90 |
3 files changed, 101 insertions, 8 deletions
@@ -1,7 +1,7 @@ pkgbase = ghemical pkgdesc = Computational chemistry package pkgver = 3.0.0 - pkgrel = 3 + pkgrel = 4 url = https://bioinformatics.org/ghemical/ghemical/ arch = x86_64 arch = i686 @@ -15,9 +15,10 @@ pkgbase = ghemical depends = gtkglext depends = openbabel source = https://bioinformatics.org/ghemical/download/release20111012/ghemical-3.0.0.tar.gz + source = openbabel3.patch source = ghemical.desktop sha256sums = babb2bda93cf0c20f234452eeb7d19d1d8c0e4c4d611734f110f8de066a1bcb2 + sha256sums = a41173dfb8c2beaca53b3796b8e6c9d6552f33a1dc4e41fa13b045ed31f54b1a sha256sums = 475db7721deff079feda637e9ecfc2ee7a381aa574fd3126c9eea7d71b9dd100 pkgname = ghemical - @@ -4,7 +4,7 @@ pkgname=ghemical pkgver=3.0.0 -pkgrel=3 +pkgrel=4 pkgdesc='Computational chemistry package' license=("GPL") arch=('x86_64' 'i686') @@ -12,21 +12,21 @@ url='https://bioinformatics.org/ghemical/ghemical/' depends=('libghemical>=3.0' 'liboglappth>=1.0' 'libglade' 'gtkglext' 'openbabel') makedepends=('pkgconfig' 'intltool>=0.40.0' 'gettext') source=("https://bioinformatics.org/ghemical/download/release20111012/$pkgname-$pkgver.tar.gz" - "$pkgname.desktop") -sha256sums=('babb2bda93cf0c20f234452eeb7d19d1d8c0e4c4d611734f110f8de066a1bcb2' - '475db7721deff079feda637e9ecfc2ee7a381aa574fd3126c9eea7d71b9dd100') + "openbabel3.patch" "$pkgname.desktop") prepare() { cd "$srcdir/$pkgname-$pkgver" # Some users have reported crashes due to the courier font. sed -i 's:courier 12:monospace:g' ./src/*.cpp + patch -Np1 -i ../openbabel3.patch } build() { cd "$srcdir/$pkgname-$pkgver" - ./configure --prefix=/usr + autoconf + CXXFLAGS="-fpermissive" ./configure --prefix=/usr make } @@ -38,4 +38,6 @@ package() { make DESTDIR="$pkgdir" install } -# vim:set ts=2 sw=2 et: +sha256sums=('babb2bda93cf0c20f234452eeb7d19d1d8c0e4c4d611734f110f8de066a1bcb2' + 'a41173dfb8c2beaca53b3796b8e6c9d6552f33a1dc4e41fa13b045ed31f54b1a' + '475db7721deff079feda637e9ecfc2ee7a381aa574fd3126c9eea7d71b9dd100') diff --git a/openbabel3.patch b/openbabel3.patch new file mode 100644 index 000000000000..1e481980cae8 --- /dev/null +++ b/openbabel3.patch @@ -0,0 +1,90 @@ +diff -ru ghemical-3.0.0.orig/configure.ac ghemical-3.0.0/configure.ac +--- ghemical-3.0.0.orig/configure.ac 2023-06-02 02:29:50.000000000 +0100 ++++ ghemical-3.0.0/configure.ac 2023-06-03 16:54:11.000000000 +0100 +@@ -163,9 +163,9 @@ + if test $enable_openbabel = yes; then + AC_DEFINE([ENABLE_OPENBABEL], [], [Define if you are building a version that interfaces directly with OpenBabel]) + +- PKG_CHECK_MODULES([OPENBABEL], [openbabel-2.0]) +- ##alt OPENBABEL_CFLAGS=`$PKG_CONFIG --cflags openbabel-2.0` +- ##alt OPENBABEL_LIBS=`$PKG_CONFIG --libs openbabel-2.0` ++ PKG_CHECK_MODULES([OPENBABEL], [openbabel-3]) ++ ##alt OPENBABEL_CFLAGS=`$PKG_CONFIG --cflags openbabel-3` ++ ##alt OPENBABEL_LIBS=`$PKG_CONFIG --libs openbabel-3` + + CPPFLAGS="$CPPFLAGS $OPENBABEL_CFLAGS" + LIBS="$LIBS $OPENBABEL_LIBS" +diff -ru ghemical-3.0.0.orig/src/filetrans.cpp ghemical-3.0.0/src/filetrans.cpp +--- ghemical-3.0.0.orig/src/filetrans.cpp 2023-06-02 02:29:50.000000000 +0100 ++++ ghemical-3.0.0/src/filetrans.cpp 2023-06-03 16:54:11.000000000 +0100 +@@ -33,6 +33,8 @@ + // Babel lib includes + // ^^^^^^^^^^^^^^^^^^ + ++#include <openbabel/atom.h> ++#include <openbabel/bond.h> + #include <openbabel/mol.h> + #include <openbabel/obutil.h> + #include <openbabel/data.h> +@@ -48,12 +50,12 @@ + + namespace OpenBabel + { +- extern OBAromaticTyper aromtyper; +- extern OBAtomTyper atomtyper; +- extern OBElementTable etab; ++ //extern OBAromaticTyper aromtyper; ++ //extern OBAtomTyper atomtyper; ++ //extern OBElementTable etab; + extern OBTypeTable ettab; + extern OBChainsParser chainsparser; +- extern OBIsotopeTable isotab; ++ //extern OBIsotopeTable isotab; + } + + /*################################################################################################*/ +@@ -438,7 +440,7 @@ + bndr = & (* it1); + + i32s bt; +- switch (obb->GetBO()) ++ switch (obb->GetBondOrder()) + { + case 1: bt = BONDTYPE_SINGLE; break; + case 2: bt = BONDTYPE_DOUBLE; break; +@@ -458,7 +460,7 @@ + if (!bndr) + { + i32s bt; +- switch (obb->GetBO()) ++ switch (obb->GetBondOrder()) + { + case 1: bt = BONDTYPE_SINGLE; break; + case 2: bt = BONDTYPE_DOUBLE; break; +diff -ru ghemical-3.0.0.orig/src/pangofont_wcl.cpp ghemical-3.0.0/src/pangofont_wcl.cpp +--- ghemical-3.0.0.orig/src/pangofont_wcl.cpp 2023-06-02 02:29:50.000000000 +0100 ++++ ghemical-3.0.0/src/pangofont_wcl.cpp 2023-06-03 16:57:38.000000000 +0100 +@@ -69,20 +69,13 @@ + font_list_base = glGenLists(128); + + PangoFontDescription * font_desc = pango_font_description_from_string(font_string); +- PangoFont * font = gdk_gl_font_use_pango_font(font_desc, 0, 128, font_list_base); +- if (font == NULL) ++ font_height = pango_font_description_get_size(font_desc); ++ if (!pango_font_description_get_size_is_absolute(font_desc)) + { +- g_print(_("*** ERROR : Can't load font '%s'\n"), font_string); +- exit(EXIT_FAILURE); ++ font_height = PANGO_PIXELS(font_height); + } + +- PangoFontMetrics * font_metrics = pango_font_get_metrics(font, NULL); +- +- font_height = pango_font_metrics_get_ascent(font_metrics) + pango_font_metrics_get_descent(font_metrics); +- font_height = PANGO_PIXELS(font_height); +- + pango_font_description_free(font_desc); +- pango_font_metrics_unref(font_metrics); + } + + int pangofont_wcl::ogl_GetStringWidth(const char * str) |