diff options
| -rw-r--r-- | app-sci/ghemical/ChangeLog | 8 | ||||
| -rw-r--r-- | app-sci/ghemical/files/digest-ghemical-0.90 | 1 | ||||
| -rw-r--r-- | app-sci/ghemical/files/ghemical-0.90-gentoo.patch | 31 | ||||
| -rw-r--r-- | app-sci/ghemical/ghemical-0.90.ebuild | 29 | ||||
| -rw-r--r-- | dev-libs/libf2c/ChangeLog | 8 | ||||
| -rw-r--r-- | dev-libs/libf2c/files/digest-libf2c-20021004 | 1 | ||||
| -rw-r--r-- | dev-libs/libf2c/libf2c-20021004.ebuild | 26 |
7 files changed, 104 insertions, 0 deletions
diff --git a/app-sci/ghemical/ChangeLog b/app-sci/ghemical/ChangeLog new file mode 100644 index 000000000000..0d6da137632d --- /dev/null +++ b/app-sci/ghemical/ChangeLog @@ -0,0 +1,8 @@ +# ChangeLog for app-sci/ghemical +# Copyright 2002 Gentoo Technologies, Inc.; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/app-sci/ghemical/ChangeLog,v 1.1 2002/10/29 02:20:12 hannes Exp $ + +*ghemical-0.90.ebuild (28 Oct 2002) + + 28 Oct 2002; Hannes Mehnert <hannes@gentoo.org> ghemical-0.90.ebuild, + ChangeLog: Initial ebuild. diff --git a/app-sci/ghemical/files/digest-ghemical-0.90 b/app-sci/ghemical/files/digest-ghemical-0.90 new file mode 100644 index 000000000000..53234c17d9a4 --- /dev/null +++ b/app-sci/ghemical/files/digest-ghemical-0.90 @@ -0,0 +1 @@ +MD5 a469e583af31c89146397f81aa88289c ghemical-0.90.tgz 2087887 diff --git a/app-sci/ghemical/files/ghemical-0.90-gentoo.patch b/app-sci/ghemical/files/ghemical-0.90-gentoo.patch new file mode 100644 index 000000000000..601ec7cabcc9 --- /dev/null +++ b/app-sci/ghemical/files/ghemical-0.90-gentoo.patch @@ -0,0 +1,31 @@ +--- openbabel/c3d.cpp.org 2002-06-19 23:18:59.000000000 +0200 ++++ openbabel/c3d.cpp 2002-10-27 18:47:04.000000000 +0100 +@@ -150,7 +150,7 @@ + } + + if (!natoms) return(false); +- divisor = pow(10.0,exponent); ++ divisor = pow((float)10.0,(float)exponent); + mol.ReserveAtoms(natoms); + + ttab.SetToType("INT"); +--- src/graphics/views.cpp.org 2002-06-20 13:27:04.000000000 +0200 ++++ src/graphics/views.cpp 2002-10-27 19:57:12.000000000 +0100 +@@ -486,7 +486,7 @@ + + glInitNames(); + +- i32s zzz = (i32s) sqrt(dv.size()); // support square datasets only!!! ++ i32s zzz = (i32s) sqrt((double)dv.size()); // support square datasets only!!! + for (i32s n1 = 0;n1 < zzz - 1;n1++) + { + for (i32s n2 = 0;n2 < zzz - 1;n2++) +@@ -542,7 +542,7 @@ + if (sy < 0.0) return; + if (sy > 1.0) return; + +- i32s zzz = (i32s) sqrt(dv.size()); // support square datasets only!!! ++ i32s zzz = (i32s) sqrt((double)dv.size()); // support square datasets only!!! + i32s index = (i32s) (((i32s) (sx * zzz)) * zzz + sy * zzz); + if (index >= (i32s) dv.size()) return; + diff --git a/app-sci/ghemical/ghemical-0.90.ebuild b/app-sci/ghemical/ghemical-0.90.ebuild new file mode 100644 index 000000000000..ef3dcdf817ef --- /dev/null +++ b/app-sci/ghemical/ghemical-0.90.ebuild @@ -0,0 +1,29 @@ +# Copyright 1999-2002 Gentoo Technologies, Inc. +# Distributed under the terms of the GNU General Public License, v2 or later +# $Header: /var/cvsroot/gentoo-x86/app-sci/ghemical/ghemical-0.90.ebuild,v 1.1 2002/10/29 02:20:13 hannes Exp $ + +DEPEND="gnome-base/gnome-libs + dev-libs/libf2c" +# app-sci/mpqc" + +IUSE="" +SLOT="0" +LICENSE="GPL" +KEYWORDS="~x86" + +DESCRIPTION="Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models and molecular mechanics models (there is an experimental Tripos 5.2-like force field for organic molecules). Also a tool for reduced protein models is included. Geometry optimization, molecular dynamics and a large set of visualization tools are currently available." + +HOMEPAGE="http://www.uku.fi/~thassine/ghemical/" +SRC_URI="http://www.uku.fi/~thassine/ghemical/download/${P}.tgz" + +src_compile() { + patch -p0 < ${FILESDIR}/${P}-gentoo.patch + ./configure --prefix=/usr #--enable-mpqc + emake +} + +src_install() { + sed -e "s:^prefix=.*:prefix=${D}/usr:" Makefile > Makefile.foo + mv Makefile.foo Makefile + make install +} diff --git a/dev-libs/libf2c/ChangeLog b/dev-libs/libf2c/ChangeLog new file mode 100644 index 000000000000..780ffc9800f9 --- /dev/null +++ b/dev-libs/libf2c/ChangeLog @@ -0,0 +1,8 @@ +# ChangeLog for dev-libs/libf2c +# Copyright 2002 Gentoo Technologies, Inc.; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/dev-libs/libf2c/ChangeLog,v 1.1 2002/10/29 02:15:55 hannes Exp $ + +*libf2c-20021004` (28 Oct 2002) + + 28 Oct 2002; Hannes Mehnert <hannes@gentoo.org> libf2c-20021004.ebuild, + ChangeLog: Initial ebuild. Thanks to a-tenderholt@northwestern.edu. diff --git a/dev-libs/libf2c/files/digest-libf2c-20021004 b/dev-libs/libf2c/files/digest-libf2c-20021004 new file mode 100644 index 000000000000..ff8b0164d2d2 --- /dev/null +++ b/dev-libs/libf2c/files/digest-libf2c-20021004 @@ -0,0 +1 @@ +MD5 64b87b3804fad207aa476894e00cd496 libf2c.zip 123393 diff --git a/dev-libs/libf2c/libf2c-20021004.ebuild b/dev-libs/libf2c/libf2c-20021004.ebuild new file mode 100644 index 000000000000..6f9a8ab2ab1e --- /dev/null +++ b/dev-libs/libf2c/libf2c-20021004.ebuild @@ -0,0 +1,26 @@ +# Copyright 1999-2002 Gentoo Technologies, Inc. +# Distributed under the terms of the GNU General Public License, v2 or later +# $Header: /var/cvsroot/gentoo-x86/dev-libs/libf2c/libf2c-20021004.ebuild,v 1.1 2002/10/29 02:15:55 hannes Exp $ + +IUSE="" +S="${WORKDIR}/${PN}" +DESCRIPTION="Library that converts FORTRAN to C source." +SRC_URI="ftp://ftp.netlib.org/f2c/${PN}.zip" +HOMEPAGE="ftp://ftp.netlib.org/f2c/index.html" +LICENSE="libf2c" +KEYWORDS="~x86" +SLOT="0" +DEPEND="virtual/glibc" + +src_compile() { + sed -e "s:CFLAGS = -O::" makefile.u > makefile + emake +} + +src_install () { + into /usr + dolib.a libf2c.a + insinto /usr/include + doins f2c.h + dodoc README Notice +} |