sci-chemistry/namd: Drop old

Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64
Manifest-Sign-Key: 0x70EB7916

5 files changed, 51 insertions, 263 deletions

diff --git a/sci-chemistry/namd/ChangeLog b/sci-chemistry/namd/ChangeLog
index cc6be40b771e..ff68934049f2 100644
--- a/sci-chemistry/namd/ChangeLog
+++ b/sci-chemistry/namd/ChangeLog
@@ -1,6 +1,10 @@
 # ChangeLog for sci-chemistry/namd
-# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/ChangeLog,v 1.14 2011/07/20 16:57:24 pacho Exp $
+# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/ChangeLog,v 1.15 2012/11/29 13:41:41 jlec Exp $
+
+  29 Nov 2012; Justin Lecher <jlec@gentoo.org> -namd-2.6.ebuild,
+  -namd-2.7_beta2.ebuild, namd-2.7_beta2-r1.ebuild:
+  Drop old
 
   20 Jul 2011; Pacho Ramos <pacho@gentoo.org> metadata.xml:
   Drop maintainer due retirement, bug #105599
diff --git a/sci-chemistry/namd/Manifest b/sci-chemistry/namd/Manifest
index d40fb1d1c2fb..de60e54d3338 100644
--- a/sci-chemistry/namd/Manifest
+++ b/sci-chemistry/namd/Manifest
@@ -1,26 +1,23 @@
 -----BEGIN PGP SIGNED MESSAGE-----
-Hash: SHA1
+Hash: SHA256
 
-AUX namd-2.6-gentoo.patch 3650 RMD160 e7cc7fa0e20b01295d6f7c83211f961720e8beaa SHA1 f5525811cc092c5125be93cdce0e8c4e22fbee38 SHA256 55fad22d757d83d786b279a50a724499fb915767ade827895d686df16fa829d9
-AUX namd-2.7-gentoo.patch 4046 RMD160 a7d087c47088d9a8df8f804e023d1a882e281e74 SHA1 333fe98dcfb54736f192f3baa82280dcab1fbd21 SHA256 9416859fa9f065f3f269441cbbb44d4f627b71c8cba29ba9e6765c08dae3611f
-AUX namd-2.7-iml-dec.patch 520 RMD160 f8f33d8e10a7c6933369c3a6b857d44243bb1c74 SHA1 2edd740e3b6cb5514bde0c4742d0ca4bf6b98126 SHA256 6be7d0a3b4dff7fa39246e7ce49afb82ff508456ebbe3983e2def1202ebb3024
-AUX namd-2.7-ldflags.patch 1547 RMD160 bfaf2ca893168e1a652e75a186817d8149af94d8 SHA1 a0ce28bcc65e1cb7ff5c61723e602c26f5eef16b SHA256 ce2fd68cf2bf0c459c65caef4e71010b2ae5bf3c2c16770d44ca461291b9b924
-AUX namd-2.7_beta2-gentoo.patch 4409 RMD160 301bc17156f10a552eae4c2b3ed91ed2ea9fae6a SHA1 3cb0deb35e690156cf1a41e35482fab42480e3af SHA256 c56728dbf426540f9558db31f7e45cacc654112022f42917e715dbaa6c05373d
-AUX namd-barrier-fix-gentoo.patch 2362 RMD160 c6b045a0f2ec9f29bf7f98db7a71c1533f2a20d3 SHA1 5d42ef58f08914ecdf4afe735345ff1264389544 SHA256 f0186fada88b387c0681095174be336d61b2968197d223c15c840c1ca96e4992
-AUX namd-fftw-lib-gentoo.patch 528 RMD160 bb776e58497f0ec672bf5fc9ef22d0717d8c27ad SHA1 b8ca7a0521900bd9dbf725d9ce7ed809ff2d1aa0 SHA256 04528fd52f70cccbba1ccf844b97b256a35f9b1b85ca3ef8a56b4c9308b22696
-AUX namd-makefile-gentoo.patch 2804 RMD160 e52934e5a1aa7ed34e270dc11e780b1bdef3011d SHA1 22d5bd779a280c1287c936dd855f8359fa7b1b4e SHA256 f3945ae8fff113286847d61a00d5a749b1c3a00b65394085e56ff47a0a209250
-AUX namd-tcl-lib-gentoo.patch 576 RMD160 0992dd4103b97baed85e66a8d4fc04c3991bedd1 SHA1 f1cc944b14f7f77785f1a914d3d50f44d9929aec SHA256 7a57497410f5791b1b9fa0535e66137bd1b4c5008e0253c7467bc40af7b6ac01
-DIST NAMD_2.6_Source.tar.gz 8963319 RMD160 186f79322226a20398031618011104a666237298 SHA1 3b3d83fdc54a520cb6c59b34cde03c9f74d2f443 SHA256 bf353ff13eae18b5a8dc33d79d295e9fe73fb87482858309b7695ce3e24f0d0b
-DIST NAMD_2.7b2_Source.tar.gz 9094631 RMD160 ec2c46f6cdb582dca73ebdbd894a9827f2e276d9 SHA1 0acab2a3bb6fca67b767f02bf7d2d2045ce6c3b9 SHA256 5675eb08534a6e4ea7a59e52e949991b3ba42abd78b45a46976ac3d7ed3b8d67
-EBUILD namd-2.6.ebuild 2263 RMD160 f846abf600169a6542e7a577724a8827b91fc515 SHA1 504275ea6effca39d3381409f4a9da52d907db31 SHA256 dc4868ffea8c831981080d501efd4dc18f03304cc5971cd4f1ece76a4f4b876e
-EBUILD namd-2.7_beta2-r1.ebuild 2895 RMD160 cdaef224fd40f6bd38e69b8c80518579fbb1a731 SHA1 673fec92ba21e82dc438819cf035ba3988d0c8fa SHA256 303bbac24eab8d3f1ed149436cde75530f51a396b63f1b343f4c94b714eaf61a
-EBUILD namd-2.7_beta2.ebuild 2892 RMD160 26696e2d4dfdefa900831ffbaa85e85af144fc46 SHA1 b6f7dba07ce941d7e0ef0c4c9dbea64bf941e70c SHA256 4f4d18836aaee2cb6bb988199962bacb33c4bc6c158c366a4e423a6a7f26d3ed
-MISC ChangeLog 2905 RMD160 48a6e25dc9bd45589b3c4720d9aee9903720a47f SHA1 7ce52815886b3216abb45eda73cc8257d90f8e5d SHA256 46417425d660d386f573a1f73a632bc469bdbefcc596eef3d4d68bc4ffed76db
-MISC metadata.xml 167 RMD160 ea4003a55d6e2079381a540c441fc59cde29025a SHA1 3bc6dc4dd68f7de22828138e62aa117387b1765d SHA256 f313eeec4ebffac500b57a98a225e32c77489fc826a50494749b6cdeec28e3e8
+AUX namd-2.6-gentoo.patch 3650 SHA256 55fad22d757d83d786b279a50a724499fb915767ade827895d686df16fa829d9 SHA512 7a5e9274307784445808f84378f875a68821ef8db7c8ede76439ae4d74d00c618144dd520bc82c433b5c7e9a08d586363b028646a140db19036bfab060133abf WHIRLPOOL a72d7dd9776c4d1fd702a416107cd469268a9d31ab689ac4ef19f4ef8ef24081cdf86705ee9d3d4f5f21fa99d4c1ea4297d7707f40aacd44a6712db71bb9dd97
+AUX namd-2.7-gentoo.patch 4046 SHA256 9416859fa9f065f3f269441cbbb44d4f627b71c8cba29ba9e6765c08dae3611f SHA512 b5dfcb304ff1c994f49b05607825689d50e84060e14a9c2749aff2ad901ea67c2ced748aad9e37247b6e7899d0a1aef9652e600263eb956a0c7aeff729d5e929 WHIRLPOOL b86a3234659b2bf0edbc72db1111c59d30132015540ef20756dd66baf4505b58315ea5df3b37f29537e4c8bf3a34e667312c45ce6d73fffe950c4d2ba6fa71f0
+AUX namd-2.7-iml-dec.patch 520 SHA256 6be7d0a3b4dff7fa39246e7ce49afb82ff508456ebbe3983e2def1202ebb3024 SHA512 50ddf91bcb0e370a98d6fe5329f00ec9a8016f0178e342b086f4b9d4130a41e525ed9d960e92dc83b4372f135ce9d454bef836d3e215fb6ac7933999278efa37 WHIRLPOOL f68a4f6bd2df6b8d031ca8709bdb66e6ab558b520ea3ad9bef4ea949e24be6380717c3da9840e8daa9b65cfa8b007d37c36ea0e33f7b4c39ab08f93a4e0ecade
+AUX namd-2.7-ldflags.patch 1547 SHA256 ce2fd68cf2bf0c459c65caef4e71010b2ae5bf3c2c16770d44ca461291b9b924 SHA512 02129638b51703d1be1e9f8ec0e2688201b7709504f5c73a52bf6ab877b12acbcc9056d4f4aaa2b83b5c7df96022de8e4f4b59521bd6d95dd9ebb1cc5a4dde12 WHIRLPOOL 46b0516fa3d591cefcc550b2973fbcf62cfbfc8fea71d2e750b9af249d48d1cf4710d26802dca27b35ecad372764cb374d0666aed9abdc9bc33743156fe22d4a
+AUX namd-2.7_beta2-gentoo.patch 4409 SHA256 c56728dbf426540f9558db31f7e45cacc654112022f42917e715dbaa6c05373d SHA512 0ac58ef97280375eaedd3fe554efe61a8ac12ec0f183bd23308f5186dcc002f6755da959f40c6514150539d8ae2f524af08b3b67b53416e6f96df97664eb6373 WHIRLPOOL 6462f5cda23b812544450b31bc1ca715be5275fbd987083b237b5d03ec79e604ce5dcadf111ea1e82a0cf86906ba969a36e550eab31641b3e7ecd97fadcab719
+AUX namd-barrier-fix-gentoo.patch 2362 SHA256 f0186fada88b387c0681095174be336d61b2968197d223c15c840c1ca96e4992 SHA512 ea01a4a0e42d38867e00b41e46d20a7a708626e7603dbbb647bd18387c72a0da93bf2e34ce372d4f01e8078bcc0573904b3a5c500c879fbd02a76cdc48bd2111 WHIRLPOOL 7736dad2f84255adc6a61104a4e99b39e5cde196c838cb6d3cb3907b7f45fa86f1ebf3b51a846eaf55e710f4fce0a81554ce8a4d04b7240c694e061b2e1d12ee
+AUX namd-fftw-lib-gentoo.patch 528 SHA256 04528fd52f70cccbba1ccf844b97b256a35f9b1b85ca3ef8a56b4c9308b22696 SHA512 27ae0da6c2f1829849d058ae30b8ed8f254fd0c7b8aa6708f4e5f8561211c2d8ec0d0dc8b39cf49ba0ac85422d36fda2cb5d2a889b8254b1d77da26dadd23a35 WHIRLPOOL 3de0f9e2ea958dadc2f6362af9c672872a86e18d555305329c704270f2ad44cd96c4b4231d76061c6e762c45494ebe7576e6bea4da034aba4f0df5744618de78
+AUX namd-makefile-gentoo.patch 2804 SHA256 f3945ae8fff113286847d61a00d5a749b1c3a00b65394085e56ff47a0a209250 SHA512 fcf5f8880267a6738020f9cd5fea3739da8f87fac3a3030f383f883762cdd5e68b75c898d0ddcc6a23f791ddd35d6f60cc4ef6f7d2ce6dbd1709e2fce9a074de WHIRLPOOL 09cc03231626473059a36f33ed7a59688752680a798eebd6ee45990987e1ce8fcd913d4354e3b5ecc0ca63771764ea86c16d42af0118753e4618bc3b21087212
+AUX namd-tcl-lib-gentoo.patch 576 SHA256 7a57497410f5791b1b9fa0535e66137bd1b4c5008e0253c7467bc40af7b6ac01 SHA512 c400437c475165f2e9aa22de3f44aaf21d226ba678cc021d3705b91239159ab702293b3212b5673fcd158e7e42248db1d1984be3bb95256bcca1962c632e9d27 WHIRLPOOL edcfd5dca373f6f040f3dcaab07abb8807989ef5db3cb97fc95307b842afb8af6f964879b7321689f02ad4b81dc087a655b4c2cf322570175ed4ef4878f12ab4
+DIST NAMD_2.7b2_Source.tar.gz 9094631 SHA256 5675eb08534a6e4ea7a59e52e949991b3ba42abd78b45a46976ac3d7ed3b8d67 SHA512 d6906ab8b6dcba42f1021acc59d52e7e3717cb3d236fc64d435f09ee929516fbca2656c8873535683f4a75d390943d67ec102e5192a0eee945f6a4e4bdfd9cf7 WHIRLPOOL 933e4eb50bcf6e9c4d7b06c941c350b33a1d00615fed6ae9c9b656d405ecd443b46cf926f0e9175a3feca6ee9f3e546f212b891fe895c126bcdf94e3e32436eb
+EBUILD namd-2.7_beta2-r1.ebuild 2663 SHA256 5664e8d896f4eafa65e76860d283727997bf11c724f92c0d929cc1344fe2a1cc SHA512 edfb25ebe2565e7b1b5770f5fcb0ffd8a8cee00df09eaf4dfcddd440e9d370d866005b8b585129a8f804828986f4ba0aacf77a6f501afd5855596132bc6c52cb WHIRLPOOL d9f09d8146e051b1a5c0430c81d735a346889cef8cd710cbe2aaa16b829836cc200a7ed8d7b3116c4a92aea57dd3f9a11caad30fc607b78e8a68343d84b79667
+MISC ChangeLog 3033 SHA256 d79cfd48202447f4f5a91d29fbd82ce864693b1f4e52e94cf66184535303243a SHA512 bd4326008578305cd0e94af7607155dce2175ba923bb567d72011ce6f9c2979ca3dbf1b20a68eeaa2587fa5306507489d9566fe1e876f05d9ec1037ba7422fc4 WHIRLPOOL 1ffcaf4799b014f1243ac10b213c9fb2f41c5cbb6353b72ec2c426f3500e1a229aaa4d8904f970e3baba3aceed958ab5f72bf089f76f2ce26d4df6c58c48e0df
+MISC metadata.xml 167 SHA256 f313eeec4ebffac500b57a98a225e32c77489fc826a50494749b6cdeec28e3e8 SHA512 0f65f650c91edb15011884892b3e2447ec2342f207b6b71541ec25939fed33cd219b1fcd85dd06008b56a50622973febeb63c9c6158f62435c63c4fbd3ab93bd WHIRLPOOL 0823fd1d22e4aea50bcf78c359303d804128475e21e39514505ee6528c9c46376ceafc1f13bb1cc4e1143d434397fb4ef65dc028e924fdc831521947534fd93f
 -----BEGIN PGP SIGNATURE-----
-Version: GnuPG v2.0.17 (GNU/Linux)
+Version: GnuPG v2.0.19 (GNU/Linux)
 
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-pdIAnAsrNoPDXRvaOurrYcNzAjA3XEwH
-=HB48
+iEYEAREIAAYFAlC3ZhYACgkQgAnW8HDreRaZnQCdGnAh+Sx1+/b/U77Rk2AtPfuk
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diff --git a/sci-chemistry/namd/namd-2.6.ebuild b/sci-chemistry/namd/namd-2.6.ebuild
deleted file mode 100644
index ba8f4b8322dc..000000000000
--- a/sci-chemistry/namd/namd-2.6.ebuild
+++ /dev/null
@@ -1,96 +0,0 @@
-# Copyright 1999-2009 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/namd-2.6.ebuild,v 1.4 2009/09/23 19:55:56 patrick Exp $
-
-inherit eutils toolchain-funcs flag-o-matic
-
-DESCRIPTION="A powerful and highly parallelized molecular dynamics code"
-LICENSE="namd"
-HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/"
-
-MY_PN="NAMD"
-MY_PV="2.6"
-
-SRC_URI="${MY_PN}_${MY_PV}_Source.tar.gz"
-
-SLOT="0"
-KEYWORDS="~x86"
-IUSE=""
-
-RESTRICT="fetch"
-
-DEPEND="app-shells/tcsh
-	=sys-cluster/charm-5.9
-	=sci-libs/fftw-2*
-	=dev-lang/tcl-8.4*"
-
-RDEPEND=${DEPEND}
-
-CHARM="charm-5.9"
-NAMD_ARCH="Linux-i686-g++"
-
-NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD"
-
-S="${WORKDIR}/${MY_PN}_${MY_PV}_Source"
-
-pkg_nofetch() {
-	echo
-	einfo "Please download ${MY_PN}_${MY_PV}_Source.tar.gz from"
-	einfo "${NAMD_DOWNLOAD}"
-	einfo "after agreeing to the license and then move it to"
-	einfo "${DISTDIR}"
-	einfo "Be sure to select the ${MY_PV} version!"
-	echo
-}
-
-src_unpack() {
-	unpack ${A}
-
-	# apply a few small fixes to make NAMD compile and
-	# link to the proper libraries
-	epatch "${FILESDIR}"/namd-2.6-gentoo.patch
-
-	cd "${S}"
-
-	# proper compiler and cflags
-	sed -e "s/g++/$(tc-getCXX)/" \
-		-e "s/CXXOPTS = -O3 -march=pentiumpro -ffast-math -static/CXXOPTS = ${CXXFLAGS}/" \
-		-e "s/gcc/$(tc-getCC)/" \
-		-e "s/COPTS = -O3 -march=pentiumpro -ffast-math -static/COPTS = ${CFLAGS}/" \
-		-i arch/${NAMD_ARCH}.arch || \
-		die "Failed to setup ${NAMD_ARCH}.arch"
-
-	# configure
-	./config tcl fftw ${NAMD_ARCH}
-}
-
-src_compile() {
-	# build namd
-	cd "${S}/${NAMD_ARCH}"
-	emake || die "Failed to build namd"
-}
-
-src_install() {
-	cd "${S}/${NAMD_ARCH}"
-
-	# the binaries
-	dobin ${PN}2 psfgen flipbinpdb flipdcd || \
-		die "Failed to install binaries"
-
-	cd "${S}"
-
-	# some docs
-	dodoc announce.txt license.txt notes.txt || \
-		die "Failed to install docs"
-}
-
-pkg_postinst() {
-	echo
-	einfo "For detailed instructions on how to run and configure"
-	einfo "NAMD please consults the extensive documentation at"
-	einfo "http://www.ks.uiuc.edu/Research/namd/"
-	einfo "and the NAMD tutorials available at"
-	einfo "http://www.ks.uiuc.edu/Training/Tutorials/"
-	einfo "Have fun :)"
-	echo
-}
diff --git a/sci-chemistry/namd/namd-2.7_beta2-r1.ebuild b/sci-chemistry/namd/namd-2.7_beta2-r1.ebuild
index 3d0115b67590..dfdd78c57814 100644
--- a/sci-chemistry/namd/namd-2.7_beta2-r1.ebuild
+++ b/sci-chemistry/namd/namd-2.7_beta2-r1.ebuild
@@ -1,8 +1,10 @@
-# Copyright 1999-2010 Gentoo Foundation
+# Copyright 1999-2012 Gentoo Foundation
 # Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/namd-2.7_beta2-r1.ebuild,v 1.1 2010/06/24 20:37:03 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/namd-2.7_beta2-r1.ebuild,v 1.2 2012/11/29 13:41:41 jlec Exp $
 
-inherit eutils toolchain-funcs flag-o-matic
+EAPI=4
+
+inherit eutils multilib toolchain-funcs flag-o-matic
 
 DESCRIPTION="A powerful and highly parallelized molecular dynamics code"
 LICENSE="namd"
@@ -22,7 +24,7 @@ RESTRICT="fetch"
 DEPEND="
 	app-shells/tcsh
 	sys-cluster/charm
-	=sci-libs/fftw-2*
+	sci-libs/fftw:2.1
 	dev-lang/tcl"
 
 RDEPEND=${DEPEND}
@@ -43,61 +45,54 @@ pkg_nofetch() {
 	echo
 }
 
-src_unpack() {
-	unpack ${A}
-	cd "${S}"
-
+src_prepare() {
 	CHARM_VERSION=$(best_version sys-cluster/charm | cut -d- -f3)
 
 	# apply a few small fixes to make NAMD compile and
 	# link to the proper libraries
-	epatch "${FILESDIR}"/namd-2.7_beta2-gentoo.patch
-	epatch "${FILESDIR}"/namd-2.7-ldflags.patch
-	epatch "${FILESDIR}"/namd-2.7-iml-dec.patch
-	sed -e "s:charm-6.1.3:charm-${CHARM_VERSION}:" \
-		Make.charm || \
-		die
+	epatch \
+		"${FILESDIR}"/namd-2.7_beta2-gentoo.patch \
+		"${FILESDIR}"/namd-2.7-ldflags.patch \
+		"${FILESDIR}"/namd-2.7-iml-dec.patch
+	sed \
+		-e "s:charm-6.1.3:charm-${CHARM_VERSION}:" \
+		-i Make.charm || die
 
 	rm -f charm-6.1.3.tar || die
 
 	# proper compiler and cflags
-	sed -e "s/g++/$(tc-getCXX)/" \
+	sed \
+		-e "s/g++/$(tc-getCXX)/" \
 		-e "s/gcc/$(tc-getCC)/" \
 		-e "s/CXXOPTS = -O3 -m64 -fexpensive-optimizations -ffast-math/CXXOPTS = ${CXXFLAGS}/" \
 		-e "s/COPTS = -O3 -m64 -fexpensive-optimizations -ffast-math/COPTS = ${CFLAGS}/" \
-		-i arch/${NAMD_ARCH}.arch || \
-		die "Failed to setup ${NAMD_ARCH}.arch"
+		-i arch/${NAMD_ARCH}.arch || die
 
-	sed -e "s/gentoo-libdir/$(get_libdir)/g" \
+	sed \
+		-e "s/gentoo-libdir/$(get_libdir)/g" \
 		-e "s/gentoo-charm/charm-${CHARM_VERSION}/g" \
 		-i Makefile || die "Failed gentooizing Makefile."
-	sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.fftw || \
-		die "Failed gentooizing Linux-x86_64.fftw."
-	sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.tcl || \
-		die "Failed gentooizing Linux-x86_64.tcl."
+	sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.fftw || die
+	sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.tcl || die
+}
 
+src_configure() {
 	# configure
-	./config ${NAMD_ARCH}
+	./config ${NAMD_ARCH} || die
 }
 
 src_compile() {
 	# build namd
 	cd "${S}/${NAMD_ARCH}"
-	emake || die "Failed to build namd"
+	emake
 }
 
 src_install() {
+	dodoc announce.txt license.txt notes.txt
 	cd "${S}/${NAMD_ARCH}"
 
 	# the binaries
-	dobin ${PN}2 psfgen flipbinpdb flipdcd || \
-		die "Failed to install binaries"
-
-	cd "${S}"
-
-	# some docs
-	dodoc announce.txt license.txt notes.txt || \
-		die "Failed to install docs"
+	dobin ${PN}2 psfgen flipbinpdb flipdcd
 }
 
 pkg_postinst() {
diff --git a/sci-chemistry/namd/namd-2.7_beta2.ebuild b/sci-chemistry/namd/namd-2.7_beta2.ebuild
deleted file mode 100644
index bc90354b4c61..000000000000
--- a/sci-chemistry/namd/namd-2.7_beta2.ebuild
+++ /dev/null
@@ -1,112 +0,0 @@
-# Copyright 1999-2010 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/namd/namd-2.7_beta2.ebuild,v 1.2 2010/06/24 20:37:03 jlec Exp $
-
-inherit eutils toolchain-funcs flag-o-matic
-
-DESCRIPTION="A powerful and highly parallelized molecular dynamics code"
-LICENSE="namd"
-HOMEPAGE="http://www.ks.uiuc.edu/Research/namd/"
-
-MY_PN="NAMD"
-MY_PV="2.7b2"
-
-SRC_URI="${MY_PN}_${MY_PV}_Source.tar.gz"
-
-SLOT="0"
-KEYWORDS="~amd64"
-IUSE=""
-
-RESTRICT="fetch"
-
-DEPEND="
-	app-shells/tcsh
-	sys-cluster/charm
-	=sci-libs/fftw-2*
-	dev-lang/tcl"
-
-RDEPEND=${DEPEND}
-
-NAMD_ARCH="Linux-x86_64-g++"
-
-NAMD_DOWNLOAD="http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=NAMD"
-
-S="${WORKDIR}/${MY_PN}_${MY_PV}_Source"
-
-pkg_nofetch() {
-	echo
-	einfo "Please download ${MY_PN}_${MY_PV}_Source.tar.gz from"
-	einfo "${NAMD_DOWNLOAD}"
-	einfo "after agreeing to the license and then move it to"
-	einfo "${DISTDIR}"
-	einfo "Be sure to select the ${MY_PV} version!"
-	echo
-}
-
-src_unpack() {
-	unpack ${A}
-	cd "${S}"
-
-	CHARM_VERSION=$(best_version sys-cluster/charm | cut -d- -f3)
-
-	# apply a few small fixes to make NAMD compile and
-	# link to the proper libraries
-	epatch "${FILESDIR}"/namd-2.7_beta2-gentoo.patch
-	epatch "${FILESDIR}"/namd-2.7-ldflags.patch
-	epatch "${FILESDIR}"/namd-2.7-iml-dec.patch
-	sed -e "s:charm-6.1.3:charm-${CHARM_VERSION}:" \
-		Make.charm || \
-		die
-
-	rm -f charm-6.1.3.tar || die
-
-	# proper compiler and cflags
-	sed -e "s/g++/$(tc-getCXX)/" \
-		-e "s/gcc/$(tc-getCC)/" \
-		-e "s/CXXOPTS = -O3 -m64 -fexpensive-optimizations -ffast-math/CXXOPTS = ${CXXFLAGS}/" \
-		-e "s/COPTS = -O3 -m64 -fexpensive-optimizations -ffast-math/COPTS = ${CFLAGS}/" \
-		-i arch/${NAMD_ARCH}.arch || \
-		die "Failed to setup ${NAMD_ARCH}.arch"
-
-	sed -e "s/gentoo-libdir/$(get_libdir)/g" \
-		-e "s/gentoo-charm/charm-${CHARM_VERSION}/g" \
-		-i Makefile || die "Failed gentooizing Makefile."
-	sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.fftw || \
-		die "Failed gentooizing Linux-x86_64.fftw."
-	sed -e "s/gentoo-libdir/$(get_libdir)/g" -i arch/Linux-x86_64.tcl || \
-		die "Failed gentooizing Linux-x86_64.tcl."
-
-	# configure
-	./config ${NAMD_ARCH}
-}
-
-src_compile() {
-	# build namd
-	cd "${S}/${NAMD_ARCH}"
-	emake || die "Failed to build namd"
-}
-
-src_install() {
-	cd "${S}/${NAMD_ARCH}"
-
-	# the binaries
-	dobin ${PN}2 psfgen flipbinpdb flipdcd || \
-		die "Failed to install binaries"
-
-	cd "${S}"
-
-	# some docs
-	dodoc announce.txt license.txt notes.txt || \
-		die "Failed to install docs"
-}
-
-pkg_postinst() {
-	echo
-	einfo "For detailed instructions on how to run and configure"
-	einfo "NAMD please consults the extensive documentation at"
-	einfo "http://www.ks.uiuc.edu/Research/namd/"
-	einfo "and the NAMD tutorials available at"
-	einfo "http://www.ks.uiuc.edu/Training/Tutorials/"
-	einfo "Have fun :)"
-	echo
-}