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authorMarkus Dittrich <markusle@gentoo.org>2007-06-23 01:37:27 +0000
committerMarkus Dittrich <markusle@gentoo.org>2007-06-23 01:37:27 +0000
commit409c378baca3600af1a0f7dfadea1e81468bf1d3 (patch)
treedd053b6c6c21181fd606116df3b2d9b86605e03f /sci-chemistry
parentVersion bump (diff)
downloadhistorical-409c378baca3600af1a0f7dfadea1e81468bf1d3.tar.gz
historical-409c378baca3600af1a0f7dfadea1e81468bf1d3.tar.bz2
historical-409c378baca3600af1a0f7dfadea1e81468bf1d3.zip
Version bump.
Package-Manager: portage-2.1.3_rc4
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/molden/ChangeLog7
-rw-r--r--sci-chemistry/molden/Manifest28
-rw-r--r--sci-chemistry/molden/files/digest-molden-4.63
-rw-r--r--sci-chemistry/molden/files/molden-4.6-gfortran.patch15
-rw-r--r--sci-chemistry/molden/molden-4.4.ebuild4
-rw-r--r--sci-chemistry/molden/molden-4.6.ebuild62
6 files changed, 108 insertions, 11 deletions
diff --git a/sci-chemistry/molden/ChangeLog b/sci-chemistry/molden/ChangeLog
index 898edf87e08f..984198a3dfcd 100644
--- a/sci-chemistry/molden/ChangeLog
+++ b/sci-chemistry/molden/ChangeLog
@@ -1,6 +1,11 @@
# ChangeLog for sci-chemistry/molden
# Copyright 2000-2007 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/ChangeLog,v 1.19 2007/03/13 00:19:37 kugelfang Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/ChangeLog,v 1.20 2007/06/23 01:37:27 markusle Exp $
+
+*molden-4.6 (23 Jun 2007)
+
+ 23 Jun 2007; Markus Dittrich <markusle@gentoo.org> +molden-4.6.ebuild, +files/molden-4.6-gfortran.patch:
+ Version bump.
13 Mar 2007; Danny van Dyk <kugelfang@gentoo.org> molden-4.3.ebuild:
QA: which -> type -P
diff --git a/sci-chemistry/molden/Manifest b/sci-chemistry/molden/Manifest
index 0bd7744fc98d..a013ec845101 100644
--- a/sci-chemistry/molden/Manifest
+++ b/sci-chemistry/molden/Manifest
@@ -6,20 +6,29 @@ AUX molden-4.4-gfortran-gentoo.patch 552 RMD160 63f1f3fe98c04ab6572aa6ef7815057d
MD5 86f1b9c46db5267770e1fa086f3d87e3 files/molden-4.4-gfortran-gentoo.patch 552
RMD160 63f1f3fe98c04ab6572aa6ef7815057d59856356 files/molden-4.4-gfortran-gentoo.patch 552
SHA256 835c39b4f1e29bde638ba32afdf6f2d4441fd46d6cb5d2f2527cf9b64245ad6f files/molden-4.4-gfortran-gentoo.patch 552
+AUX molden-4.6-gfortran.patch 632 RMD160 5d29be97b83fc670c2182a894be98ee38feb2da5 SHA1 dff18f1c5fec8c223618f44fef452114919f9cfe SHA256 1fbac089dd3f1033f8aea801cb97073c304ebe8fa36f9ea23eb76180dee796ce
+MD5 9386db153dfef50e6b576fecda45868b files/molden-4.6-gfortran.patch 632
+RMD160 5d29be97b83fc670c2182a894be98ee38feb2da5 files/molden-4.6-gfortran.patch 632
+SHA256 1fbac089dd3f1033f8aea801cb97073c304ebe8fa36f9ea23eb76180dee796ce files/molden-4.6-gfortran.patch 632
DIST molden4.3.tar.Z 3334599 RMD160 e487adce261b97df3b7477b48fb067042956cc79 SHA1 c654bcb5e0b175572b9b8272fc1a83edeedb8c58 SHA256 21535a2fe4d20123a170cb1e9903b89608acb2014dbf7aee4d143748a5c3381c
DIST molden4.4.tar.Z 3556861 RMD160 bef1e9092d87323b1f9b2842b4beaadbd0c6a212 SHA1 905ddd8c130166b5bb7ef1445d1c06e2961b32c5 SHA256 0eadbe629485d408440586aed81f7761c354636a2a36ae996e1f21a2c59db23a
+DIST molden4.6.tar.gz 2670767 RMD160 ad650bccc7a1acc8c624941f213048b30dd548d3 SHA1 7aead29c55156158edab997ef9ce6f6f007f4bf8 SHA256 6f9a2898da6bda6a9fbd7c7a61c542acc5b030c7f2495caf4b48eb589c95b707
EBUILD molden-4.3.ebuild 1905 RMD160 0c4ba63b0ab0603bf52affb1d3bf1f3476dcdcd0 SHA1 1e7f7813d9a42cb131a214416b81cca1e525751f SHA256 4ebb28473798a552d59be7605f8020ae2f59173d38819fb31940c90398712341
MD5 cde6cbb21c2bdece9b5eee1082aa06ec molden-4.3.ebuild 1905
RMD160 0c4ba63b0ab0603bf52affb1d3bf1f3476dcdcd0 molden-4.3.ebuild 1905
SHA256 4ebb28473798a552d59be7605f8020ae2f59173d38819fb31940c90398712341 molden-4.3.ebuild 1905
-EBUILD molden-4.4.ebuild 1560 RMD160 53b5ba3bc2aff74fe4d1712411088a3beca29d8c SHA1 d50ced764b4ec044572144d52fa992dbcbe7e861 SHA256 0e01857b1da4f81ced7949b6e78d8d08feabf9432c0ab536ff0c13fcdc9cccf4
-MD5 36f292b015a356c0fed92c39ef41c8f6 molden-4.4.ebuild 1560
-RMD160 53b5ba3bc2aff74fe4d1712411088a3beca29d8c molden-4.4.ebuild 1560
-SHA256 0e01857b1da4f81ced7949b6e78d8d08feabf9432c0ab536ff0c13fcdc9cccf4 molden-4.4.ebuild 1560
-MISC ChangeLog 4626 RMD160 7b102f685c3ef1cb4137fa4bb64da47fcd87704d SHA1 0378ba0f5ade121208d19d01787a80e442392339 SHA256 176431a24a3ca3927138aa3b8a798189b04cc114a758c8b1f0ba12b91d1ca464
-MD5 a7310e3ac35b85c15e36fb03263224df ChangeLog 4626
-RMD160 7b102f685c3ef1cb4137fa4bb64da47fcd87704d ChangeLog 4626
-SHA256 176431a24a3ca3927138aa3b8a798189b04cc114a758c8b1f0ba12b91d1ca464 ChangeLog 4626
+EBUILD molden-4.4.ebuild 1560 RMD160 af798a5104337b0a15a768641569b26ad9c17280 SHA1 edd2aeefc3ab131cfa72290e0726e982c25132ac SHA256 7e6dc227f99bb961a6e679b3a13511b46238cfdf9e6c73eb58f433baf1fae057
+MD5 2549486b41783f4741d237172ebb89de molden-4.4.ebuild 1560
+RMD160 af798a5104337b0a15a768641569b26ad9c17280 molden-4.4.ebuild 1560
+SHA256 7e6dc227f99bb961a6e679b3a13511b46238cfdf9e6c73eb58f433baf1fae057 molden-4.4.ebuild 1560
+EBUILD molden-4.6.ebuild 1759 RMD160 8f48cb8cfd9dbacccdd7fcc6d1d311b329e194e4 SHA1 368a5a095ab9bed335009c8e34e9a9bd90226407 SHA256 0c157bfdb2d4b7c33666efadddae466cf0d85c18583a67e0684d338cfcc7b3fc
+MD5 ca313a5db61a4101feb8e4b9282e2b0a molden-4.6.ebuild 1759
+RMD160 8f48cb8cfd9dbacccdd7fcc6d1d311b329e194e4 molden-4.6.ebuild 1759
+SHA256 0c157bfdb2d4b7c33666efadddae466cf0d85c18583a67e0684d338cfcc7b3fc molden-4.6.ebuild 1759
+MISC ChangeLog 4776 RMD160 37a62590580a7de63ea742f957f1659fb250b20e SHA1 1d895aeb51ae188242723680ec7729daed25b1b4 SHA256 0458103718cef9c7734367016d1ce20dc28dfa63b8b9a50b6887756aba6dd2ae
+MD5 515d576a30d8ba235013745a18d7ec31 ChangeLog 4776
+RMD160 37a62590580a7de63ea742f957f1659fb250b20e ChangeLog 4776
+SHA256 0458103718cef9c7734367016d1ce20dc28dfa63b8b9a50b6887756aba6dd2ae ChangeLog 4776
MISC metadata.xml 166 RMD160 4452298fd03e7c9395d1182bfe69d60a14144af6 SHA1 cb0b513473c0348f4f6f6cd9a132e4884155fddb SHA256 84c92b49702daf95eace8d2765215cbd8650da4ef776f9f700b5ce3785dec852
MD5 43628e9f5743b5c3b018a82669a76bc7 metadata.xml 166
RMD160 4452298fd03e7c9395d1182bfe69d60a14144af6 metadata.xml 166
@@ -30,3 +39,6 @@ SHA256 3abf729e16a4e9737cceb6ac05466b35848fa80c9194557ebd3fa50ce6e15204 files/di
MD5 aef816312daa0f723518cd6705cafa1c files/digest-molden-4.4 229
RMD160 66ac33e41ecbdf5387f929fcbdf15ebfdccc53ef files/digest-molden-4.4 229
SHA256 4b31c4ca4762a7a557a7163fc28d02c224933414596a03f1daccffd2634e11ff files/digest-molden-4.4 229
+MD5 ec774fb85074302544ed8d7371246e14 files/digest-molden-4.6 232
+RMD160 a8d3dde9001a282b0d3718549aa7bebacb3d5123 files/digest-molden-4.6 232
+SHA256 60aca55e15866d6a3658332c5852a41e5fca74c610deac7b5b988a869baffe26 files/digest-molden-4.6 232
diff --git a/sci-chemistry/molden/files/digest-molden-4.6 b/sci-chemistry/molden/files/digest-molden-4.6
new file mode 100644
index 000000000000..8d71dc0a5ddd
--- /dev/null
+++ b/sci-chemistry/molden/files/digest-molden-4.6
@@ -0,0 +1,3 @@
+MD5 713213dea750497e7233cc1130cc1c09 molden4.6.tar.gz 2670767
+RMD160 ad650bccc7a1acc8c624941f213048b30dd548d3 molden4.6.tar.gz 2670767
+SHA256 6f9a2898da6bda6a9fbd7c7a61c542acc5b030c7f2495caf4b48eb589c95b707 molden4.6.tar.gz 2670767
diff --git a/sci-chemistry/molden/files/molden-4.6-gfortran.patch b/sci-chemistry/molden/files/molden-4.6-gfortran.patch
new file mode 100644
index 000000000000..458d5657e316
--- /dev/null
+++ b/sci-chemistry/molden/files/molden-4.6-gfortran.patch
@@ -0,0 +1,15 @@
+diff -Naur molden4.6/molden.f molden4.6-new/molden.f
+--- molden4.6/molden.f 2007-06-11 10:04:58.000000000 -0400
++++ molden4.6-new/molden.f 2007-06-22 20:57:13.000000000 -0400
+@@ -267,9 +267,9 @@
+ common /vrmlhl/ spcdfil
+ common /pmflvl/ ipmfm,ipmfh,pmflev(mxpmfl),levcol(mxpmfl)
+ common /comsrf/ vo(3), rt(3),v1t(3),v2t(3),v3t(3),wo(3)
+- external iargc
++c external iargc
+ c GCC 4.0 or higher:
+-c external gfortran_iargc
++ external gfortran_iargc
+ dimension fcnt(mxcntr)
+ character title*80, keywrd*160, keyhlp*80, keyori*160
+ character tmpstr*80,movfil*80,povfil*80,oglfil*80
diff --git a/sci-chemistry/molden/molden-4.4.ebuild b/sci-chemistry/molden/molden-4.4.ebuild
index 62e5b2b9ffb4..cea172bd879e 100644
--- a/sci-chemistry/molden/molden-4.4.ebuild
+++ b/sci-chemistry/molden/molden-4.4.ebuild
@@ -1,6 +1,6 @@
-# Copyright 1999-2006 Gentoo Foundation
+# Copyright 1999-2007 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/molden-4.4.ebuild,v 1.1 2006/10/03 01:49:26 markusle Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/molden-4.4.ebuild,v 1.2 2007/06/23 01:37:27 markusle Exp $
inherit eutils toolchain-funcs flag-o-matic fortran
diff --git a/sci-chemistry/molden/molden-4.6.ebuild b/sci-chemistry/molden/molden-4.6.ebuild
new file mode 100644
index 000000000000..28d686e9640a
--- /dev/null
+++ b/sci-chemistry/molden/molden-4.6.ebuild
@@ -0,0 +1,62 @@
+# Copyright 1999-2007 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molden/molden-4.6.ebuild,v 1.1 2007/06/23 01:37:27 markusle Exp $
+
+inherit eutils toolchain-funcs flag-o-matic fortran
+
+MY_P="${PN}${PV}"
+DESCRIPTION="Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac."
+HOMEPAGE="http://www.cmbi.kun.nl/~schaft/molden/molden.html"
+SRC_URI="ftp://ftp.cmbi.kun.nl/pub/molgraph/${PN}/${MY_P}.tar.gz"
+
+LICENSE="as-is"
+SLOT="0"
+KEYWORDS="~alpha ~amd64 ~ia64 ~x86"
+IUSE="opengl"
+
+RDEPEND="opengl? ( virtual/glut
+ virtual/opengl )
+ || ( x11-libs/libXmu virtual/x11 )"
+DEPEND="${RDEPEND}
+ virtual/libc"
+
+S="${WORKDIR}/${MY_P}"
+
+FORTRAN="g77 gfortran"
+
+src_unpack() {
+ unpack ${A}
+ cd "${S}"
+
+ if [[ "${FORTRANC}" = "gfortran" ]]; then
+ epatch "${FILESDIR}"/${P}-gfortran.patch
+ fi
+}
+
+src_compile() {
+ # Use -mieee on alpha, according to the Makefile
+ use alpha && append-flags -mieee
+
+ # Honor CC, CFLAGS, FC, and FFLAGS from environment;
+ # unfortunately a bash bug prevents us from doing typeset and
+ # assignment on the same line.
+ typeset -a args
+ args=( CC="$(tc-getCC) ${CFLAGS}" \
+ FC="${FORTRANC}" LDR="${FORTRANC}" FFLAGS="${FFLAGS}" )
+
+ einfo "Building Molden..."
+ emake -j1 "${args[@]}" || die "molden emake failed"
+ if use opengl ; then
+ einfo "Building Molden OpenGL helper..."
+ emake -j1 "${args[@]}" moldenogl || die "moldenogl emake failed"
+ fi
+}
+
+src_install() {
+ dobin molden || die "failed to install molden executable."
+ use opengl && dobin moldenogl || \
+ die "failed to install moldenogl."
+ dodoc HISTORY README REGISTER || die "failed to install docs."
+ cd doc
+ uncompress * && dodoc * || die "failed to install docs."
+}