diff options
Diffstat (limited to 'sci-chemistry/gromacs')
| -rw-r--r-- | sci-chemistry/gromacs/Manifest | 40 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/files/digest-gromacs-3.2.1 | 3 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/files/digest-gromacs-3.3 | 1 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/files/digest-gromacs-3.3.1 | 3 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-3.2.1.ebuild | 66 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-3.3.1.ebuild | 81 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-3.3.ebuild | 73 |
7 files changed, 14 insertions, 253 deletions
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest index 1eaa40f97333..b861380e8154 100644 --- a/sci-chemistry/gromacs/Manifest +++ b/sci-chemistry/gromacs/Manifest @@ -1,3 +1,6 @@ +-----BEGIN PGP SIGNED MESSAGE----- +Hash: SHA1 + AUX gromacs-alpha-axp_asm.patch 613 RMD160 56a617d34b9aa96f71cb84124271107d56557773 SHA1 96518a8fa20c0d597b5cb26b843f28f26d998942 SHA256 d6ae7d258e975a0c12a8b09bef11874eb0e25d4708f299b3e265c97ada69afee MD5 aa14e5e53e2eb5409072fd53896b4578 files/gromacs-alpha-axp_asm.patch 613 RMD160 56a617d34b9aa96f71cb84124271107d56557773 files/gromacs-alpha-axp_asm.patch 613 @@ -8,47 +11,32 @@ RMD160 e6bdccd29a29fb9ee85f0ca4a15f2ea229b6f52a files/gromacs-ppc64-altivec.patc SHA256 1e60a3a12cfd706af1860ca2ff36074291540f8ffa3616636eb612037f0611c3 files/gromacs-ppc64-altivec.patch 571 DIST gromacs-3.2.1.tar.gz 3302723 RMD160 778fb44b4b113eb5ba6e758884276165a8f003e9 SHA1 ddc86120c578e1147daf6e2f849da2096d75469b SHA256 de85710553202e17a3ac67049d2cf51117939d3d8944a34aa0909aa3771bef53 DIST gromacs-3.3.1.tar.gz 7992897 RMD160 48e6f9098ac4f5b834f4beb050846c60aea18fff SHA1 8c67ee772cadf93067b3c8bcec65d7b3520df1dc SHA256 3df40151ff5364fab1c4d8692ec247d8245437e954882a803178cbe6b812d81f -DIST gromacs-3.3.tar.gz 5906342 EBUILD gromacs-3.2.1-r1.ebuild 1975 RMD160 ff5dfc572d27eda698c76845a88f58422bfabccc SHA1 c0b27b9543c669cb59d65a0c6cf4d4994c51acef SHA256 b5b43f7f1d032e64f95b1247530404556db7a57e623c9ceaf4384f2c7f65b0ef MD5 9b6492c32d8c96d94266e78f314fdcf4 gromacs-3.2.1-r1.ebuild 1975 RMD160 ff5dfc572d27eda698c76845a88f58422bfabccc gromacs-3.2.1-r1.ebuild 1975 SHA256 b5b43f7f1d032e64f95b1247530404556db7a57e623c9ceaf4384f2c7f65b0ef gromacs-3.2.1-r1.ebuild 1975 -EBUILD gromacs-3.2.1.ebuild 1897 RMD160 1abe85e471969fcde5ee6a714b76d820418178f0 SHA1 6e34da780f6b86863f4aa0d5ba4b70c831b3cb6e SHA256 7785a56bace8bbef4bdec432128c9d88d2427b667645790ea78df90929074c20 -MD5 5af09df5d0c864672c46c64a841c0177 gromacs-3.2.1.ebuild 1897 -RMD160 1abe85e471969fcde5ee6a714b76d820418178f0 gromacs-3.2.1.ebuild 1897 -SHA256 7785a56bace8bbef4bdec432128c9d88d2427b667645790ea78df90929074c20 gromacs-3.2.1.ebuild 1897 EBUILD gromacs-3.3.1-r1.ebuild 5665 RMD160 6f92c2636308e10f01b34e8eb8cf1a5a2bf0fcad SHA1 3209942b89892b685cdc89e93a73b3662ea7a175 SHA256 b32c622ffc455ff3b2c49afe6788cdcb56672fe563e43b227d4465421e46bdf3 MD5 3d6760743e1e92e0381a03b67614aab8 gromacs-3.3.1-r1.ebuild 5665 RMD160 6f92c2636308e10f01b34e8eb8cf1a5a2bf0fcad gromacs-3.3.1-r1.ebuild 5665 SHA256 b32c622ffc455ff3b2c49afe6788cdcb56672fe563e43b227d4465421e46bdf3 gromacs-3.3.1-r1.ebuild 5665 -EBUILD gromacs-3.3.1.ebuild 2163 RMD160 b7748b8989987d6acb0562e744702e38f79acd47 SHA1 fa5febc72867f35d1cc9714f558a9a2c9ed36353 SHA256 cabc59520dd654c54b45aa9175785e57d8826d15f93868efeadd9a895a940306 -MD5 a4e8a17060ded547ec8d8288bbbc3594 gromacs-3.3.1.ebuild 2163 -RMD160 b7748b8989987d6acb0562e744702e38f79acd47 gromacs-3.3.1.ebuild 2163 -SHA256 cabc59520dd654c54b45aa9175785e57d8826d15f93868efeadd9a895a940306 gromacs-3.3.1.ebuild 2163 -EBUILD gromacs-3.3.ebuild 1956 RMD160 3ff47faef23a3860b42d2fec7c2fa0f845ccab2a SHA1 862e3823e1439a00d6c217e7c8ae40a25570a2cf SHA256 4c51f3241c5d14d8aec8037c2f07f6a17ccbbb4189684c9f67a3a55d7fe02eeb -MD5 d963556dde12c545dc60726f29fd3128 gromacs-3.3.ebuild 1956 -RMD160 3ff47faef23a3860b42d2fec7c2fa0f845ccab2a gromacs-3.3.ebuild 1956 -SHA256 4c51f3241c5d14d8aec8037c2f07f6a17ccbbb4189684c9f67a3a55d7fe02eeb gromacs-3.3.ebuild 1956 -MISC ChangeLog 5149 RMD160 e2cfe4842de01ce46a9b32a0bdf77794621aa355 SHA1 7366c86988ed92951702fcf5bc6784a3f93e1a4d SHA256 b19bcb7a48d00e199c21cd5b24971e9cd6d3a7b4b05ff07dcff146fb6c7f0e4b -MD5 a1f9392bd3b1fa00ba4132e1762a3ddc ChangeLog 5149 -RMD160 e2cfe4842de01ce46a9b32a0bdf77794621aa355 ChangeLog 5149 -SHA256 b19bcb7a48d00e199c21cd5b24971e9cd6d3a7b4b05ff07dcff146fb6c7f0e4b ChangeLog 5149 +MISC ChangeLog 5305 RMD160 5eed659b6a282ed174f205e549255915029d4023 SHA1 e10cd8298bdc290f4c5e53b4f206c98b0a540cb3 SHA256 184bfb76da554a0e9e8ee7a864464d18a75a54dc22327756a1f4ac90db113f21 +MD5 9427163790e5d159cee32ff1764a2080 ChangeLog 5305 +RMD160 5eed659b6a282ed174f205e549255915029d4023 ChangeLog 5305 +SHA256 184bfb76da554a0e9e8ee7a864464d18a75a54dc22327756a1f4ac90db113f21 ChangeLog 5305 MISC metadata.xml 166 RMD160 4452298fd03e7c9395d1182bfe69d60a14144af6 SHA1 cb0b513473c0348f4f6f6cd9a132e4884155fddb SHA256 84c92b49702daf95eace8d2765215cbd8650da4ef776f9f700b5ce3785dec852 MD5 43628e9f5743b5c3b018a82669a76bc7 metadata.xml 166 RMD160 4452298fd03e7c9395d1182bfe69d60a14144af6 metadata.xml 166 SHA256 84c92b49702daf95eace8d2765215cbd8650da4ef776f9f700b5ce3785dec852 metadata.xml 166 -MD5 5610b09ddd25c07046dc98731e997221 files/digest-gromacs-3.2.1 244 -RMD160 5967b1bae7c1d24be5d9f0dce62b256f6f084cc7 files/digest-gromacs-3.2.1 244 -SHA256 c24822d0c5dd0545585fa9ebe51c7a1126da729c375ca035c3baaddd5d2d454b files/digest-gromacs-3.2.1 244 MD5 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files/digest-gromacs-3.3.1-r1 244 +-----BEGIN PGP SIGNATURE----- +Version: GnuPG v1.4.4 (GNU/Linux) + +iD8DBQFFoFkx5mJXAu5GbtIRAqHTAJ9gR/FsG3cklvyOmSp5JkS47jPmCACfbLx7 +KJ+gajpTqKVJ7F9pAmvpmbM= +=VP9R +-----END PGP SIGNATURE----- diff --git a/sci-chemistry/gromacs/files/digest-gromacs-3.2.1 b/sci-chemistry/gromacs/files/digest-gromacs-3.2.1 deleted file mode 100644 index 8b61dbb9179c..000000000000 --- a/sci-chemistry/gromacs/files/digest-gromacs-3.2.1 +++ /dev/null @@ -1,3 +0,0 @@ -MD5 d298386495f6ee39b3155ce951984485 gromacs-3.2.1.tar.gz 3302723 -RMD160 778fb44b4b113eb5ba6e758884276165a8f003e9 gromacs-3.2.1.tar.gz 3302723 -SHA256 de85710553202e17a3ac67049d2cf51117939d3d8944a34aa0909aa3771bef53 gromacs-3.2.1.tar.gz 3302723 diff --git a/sci-chemistry/gromacs/files/digest-gromacs-3.3 b/sci-chemistry/gromacs/files/digest-gromacs-3.3 deleted file mode 100644 index 757b2815589c..000000000000 --- a/sci-chemistry/gromacs/files/digest-gromacs-3.3 +++ /dev/null @@ -1 +0,0 @@ -MD5 99ea6f25a89f1511f51c350a66a2fdc4 gromacs-3.3.tar.gz 5906342 diff --git a/sci-chemistry/gromacs/files/digest-gromacs-3.3.1 b/sci-chemistry/gromacs/files/digest-gromacs-3.3.1 deleted file mode 100644 index dc4a56cb42ec..000000000000 --- a/sci-chemistry/gromacs/files/digest-gromacs-3.3.1 +++ /dev/null @@ -1,3 +0,0 @@ -MD5 1af34a99950813ca7cf893253c447cd1 gromacs-3.3.1.tar.gz 7992897 -RMD160 48e6f9098ac4f5b834f4beb050846c60aea18fff gromacs-3.3.1.tar.gz 7992897 -SHA256 3df40151ff5364fab1c4d8692ec247d8245437e954882a803178cbe6b812d81f gromacs-3.3.1.tar.gz 7992897 diff --git a/sci-chemistry/gromacs/gromacs-3.2.1.ebuild b/sci-chemistry/gromacs/gromacs-3.2.1.ebuild deleted file mode 100644 index 6631cbe813d4..000000000000 --- a/sci-chemistry/gromacs/gromacs-3.2.1.ebuild +++ /dev/null @@ -1,66 +0,0 @@ -# Copyright 1999-2006 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-3.2.1.ebuild,v 1.3 2006/06/25 00:28:25 spyderous Exp $ - -inherit eutils - -IUSE="mpi xml" - -DESCRIPTION="The ultimate molecular dynamics simulation package" -SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz" -HOMEPAGE="http://www.gromacs.org/" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="x86 amd64" - -#mpi is a local USE flag now -#May become official when situation with mpich is cleared (now the only mpi implementation awailable is lam-mpi) -DEPEND="=sci-libs/fftw-2.1* - mpi? ( >=sys-cluster/lam-mpi-6.5.6 ) - >=sys-devel/binutils-2.10.91.0.2 - app-shells/tcsh - xml? ( dev-libs/libxml2 )" - -src_compile() { -#!!!Please note!!! -#for troublesome work gromacs should be compiled with the same mpi setting as fftw. -#Unfortunately portage cannot trace optional dependencies of dependencies at present. -#Until this (planned) feature is completed, please try to do corresponding check yourself. - local myconf - - # Enable asm on Alphas - if [ "${ARCH}" = "alpha" ] - then - myconf="${myconf} --enable-axp-asm" - fi - - # static should work but something's broken. - # gcc spec file may be screwed up. - # Static linking should try -lgcc instead of -lgcc_s. - # For more info: - # http://lists.debian.org/debian-gcc/2002/debian-gcc-200201/msg00150.html - econf \ - --enable-fortran \ - --datadir=/usr/share/${P} \ - --bindir=/usr/bin \ - --libdir=/usr/lib \ - `use_with xml` \ - `use_enable mpi` \ - ${myconf} || die "configure failed" - - # `use_enable static all-static` \ - - emake || die -} - -src_install () { - make DESTDIR=${D} install || die - - # Install documentation. - dodoc AUTHORS COPYING INSTALL README - - #move html docs under /usr/share/doc - #and leave examples and templates under /usr/gromacs... - mv ${D}/usr/share/${P}/html ${D}/usr/share/doc/${PF} -} diff --git a/sci-chemistry/gromacs/gromacs-3.3.1.ebuild b/sci-chemistry/gromacs/gromacs-3.3.1.ebuild deleted file mode 100644 index 28aa7591c039..000000000000 --- a/sci-chemistry/gromacs/gromacs-3.3.1.ebuild +++ /dev/null @@ -1,81 +0,0 @@ -# Copyright 1999-2006 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-3.3.1.ebuild,v 1.1 2006/08/08 02:54:41 markusle Exp $ - -inherit eutils fortran - -IUSE="altivec mpi xml" - -DESCRIPTION="The ultimate molecular dynamics simulation package" -SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz" -HOMEPAGE="http://www.gromacs.org/" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~x86 ~amd64 ~ppc64" - -# gromacs uses fortran intrinsics such as RSHIFT that -# are currently missing from gfortran; hence we need -# to require g77 for the time being (see bug #141672). -FORTRAN="g77" - - -#mpi is a local USE flag now -#May become official when situation with mpich is cleared (now the only mpi implementation awailable is lam-mpi) -DEPEND="=sci-libs/fftw-2.1* - mpi? ( >=sys-cluster/lam-mpi-6.5.6 ) - >=sys-devel/binutils-2.10.91.0.2 - app-shells/tcsh - xml? ( dev-libs/libxml2 )" - -pkg_setup() { - # !!!Please note!!! - # for troublesome work gromacs should be compiled with the same mpi setting - # as fftw. - if use mpi; then - if ! built_with_use =sci-libs/fftw-2.1* mpi; then - die "=sci-libs/fftw-2.1* must be built with USE=mpi." - fi - fi - - fortran_pkg_setup -} - -src_unpack() { - unpack ${A} - if use ppc64 && use altivec ; then - epatch ${FILESDIR}/${PN}-ppc64-altivec.patch - fi -} - -src_compile() { - # static should work but something's broken. - # gcc spec file may be screwed up. - # Static linking should try -lgcc instead of -lgcc_s. - # For more info: - # http://lists.debian.org/debian-gcc/2002/debian-gcc-200201/msg00150.html - econf \ - --enable-fortran \ - --datadir=/usr/share/${P} \ - --bindir=/usr/bin \ - --libdir=/usr/lib \ - $(use_with xml) \ - $(use_enable mpi) \ - $(use_enable altivec ppc-altivec) \ - $(use_enable alpha axp-asm) || die "configure failed" - -# $(use_enable static all-static) \ - - emake || die -} - -src_install () { - make DESTDIR=${D} install || die - - # Install documentation. - dodoc AUTHORS COPYING INSTALL README - - #move html docs under /usr/share/doc - #and leave examples and templates under /usr/gromacs... - mv ${D}/usr/share/${P}/html ${D}/usr/share/doc/${PF} -} diff --git a/sci-chemistry/gromacs/gromacs-3.3.ebuild b/sci-chemistry/gromacs/gromacs-3.3.ebuild deleted file mode 100644 index a89111212188..000000000000 --- a/sci-chemistry/gromacs/gromacs-3.3.ebuild +++ /dev/null @@ -1,73 +0,0 @@ -# Copyright 1999-2006 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-3.3.ebuild,v 1.2 2006/06/25 00:28:25 spyderous Exp $ - -inherit eutils - -IUSE="altivec mpi xml" - -DESCRIPTION="The ultimate molecular dynamics simulation package" -SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz" -HOMEPAGE="http://www.gromacs.org/" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~x86 ~amd64 ~ppc64" - -#mpi is a local USE flag now -#May become official when situation with mpich is cleared (now the only mpi implementation awailable is lam-mpi) -DEPEND="=sci-libs/fftw-2.1* - mpi? ( >=sys-cluster/lam-mpi-6.5.6 ) - >=sys-devel/binutils-2.10.91.0.2 - app-shells/tcsh - xml? ( dev-libs/libxml2 )" - -pkg_setup() { - # !!!Please note!!! - # for troublesome work gromacs should be compiled with the same mpi setting - # as fftw. - if use mpi; then - if ! built_with_use =sci-libs/fftw-2.1* mpi; then - die "=sci-libs/fftw-2.1* must be built with USE=mpi." - fi - fi -} - -src_unpack() { - unpack ${A} - if use ppc64 && use altivec ; then - epatch ${FILESDIR}/${PN}-ppc64-altivec.patch - fi -} - -src_compile() { - # static should work but something's broken. - # gcc spec file may be screwed up. - # Static linking should try -lgcc instead of -lgcc_s. - # For more info: - # http://lists.debian.org/debian-gcc/2002/debian-gcc-200201/msg00150.html - econf \ - --enable-fortran \ - --datadir=/usr/share/${P} \ - --bindir=/usr/bin \ - --libdir=/usr/lib \ - $(use_with xml) \ - $(use_enable mpi) \ - $(use_enable altivec ppc-altivec) \ - $(use_enable alpha axp-asm) || die "configure failed" - -# $(use_enable static all-static) \ - - emake || die -} - -src_install () { - make DESTDIR=${D} install || die - - # Install documentation. - dodoc AUTHORS COPYING INSTALL README - - #move html docs under /usr/share/doc - #and leave examples and templates under /usr/gromacs... - mv ${D}/usr/share/${P}/html ${D}/usr/share/doc/${PF} -} |