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author | Donnie Berkholz <dberkholz@gentoo.org> | 2006-06-21 14:17:29 +0000 |
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committer | Donnie Berkholz <dberkholz@gentoo.org> | 2006-06-21 14:17:29 +0000 |
commit | 5001ae516a41a126d4187c3905fcbcd838ab1268 (patch) | |
tree | 7c6f04f3a56844029c9eb6ec36eba8d8a8c35697 /sci-chemistry/tinker | |
parent | (#119142) Make Java frontend work (Josh Nichols). (diff) | |
download | historical-5001ae516a41a126d4187c3905fcbcd838ab1268.tar.gz historical-5001ae516a41a126d4187c3905fcbcd838ab1268.tar.bz2 historical-5001ae516a41a126d4187c3905fcbcd838ab1268.zip |
(#119142) Make Java frontend work (Josh Nichols).
Package-Manager: portage-2.1.1_pre1-r1
Diffstat (limited to 'sci-chemistry/tinker')
-rw-r--r-- | sci-chemistry/tinker/Manifest | 22 | ||||
-rw-r--r-- | sci-chemistry/tinker/files/digest-tinker-4.2 | 3 | ||||
-rw-r--r-- | sci-chemistry/tinker/tinker-4.2.ebuild | 132 |
3 files changed, 11 insertions, 146 deletions
diff --git a/sci-chemistry/tinker/Manifest b/sci-chemistry/tinker/Manifest index cb5cb9e61972..6e89f043b5b3 100644 --- a/sci-chemistry/tinker/Manifest +++ b/sci-chemistry/tinker/Manifest @@ -1,16 +1,16 @@ DIST tinker.tar.gz 8177555 RMD160 95f904f03f6a1767bbf73b00f326d19a164b7a1c SHA1 b42c5763958869894ee91fcd2ed4c5e03d8c1e5d SHA256 ad0cc9782dabdb0cce490fe26508761a36078e741f019090cbaa3e6cacf71055 -EBUILD tinker-4.2.ebuild 3423 RMD160 bf08ef54b9e26cc41ae33816c5ff31181bb733ad SHA1 e50d4541c969db762f6c6ca0e6cc344c8650a779 SHA256 3dd149c382637f6da4731c641dc61b45b0407b439fbfe8496450280040466440 -MD5 efa478ed2df528d31633db8cb308edae tinker-4.2.ebuild 3423 -RMD160 bf08ef54b9e26cc41ae33816c5ff31181bb733ad tinker-4.2.ebuild 3423 -SHA256 3dd149c382637f6da4731c641dc61b45b0407b439fbfe8496450280040466440 tinker-4.2.ebuild 3423 -MISC ChangeLog 770 RMD160 3c6b81650eebd05d486fc6d42c565c2d7c592fb9 SHA1 a79be8338a5a6ca0129bf1786189309f79987ae0 SHA256 1412bdecfa7111c81013076ad957197b9470dd19c06fc7a2bca04a5dfd5e6432 -MD5 09ca06efe4ed16fe5d7f90b913a3f0e3 ChangeLog 770 -RMD160 3c6b81650eebd05d486fc6d42c565c2d7c592fb9 ChangeLog 770 -SHA256 1412bdecfa7111c81013076ad957197b9470dd19c06fc7a2bca04a5dfd5e6432 ChangeLog 770 +EBUILD tinker-4.2-r1.ebuild 3430 RMD160 a012cc3452be98fe240cde0921a8d5bd5397fbad SHA1 10158b535208e61c62597410f0d0661f6b36d90e SHA256 7c7b82c2aa065d7e8bc92997a42eb201ad9d5b2d53bf296958640a5dd9d20805 +MD5 a935bd268bc9a2e46267a6a88882adcb tinker-4.2-r1.ebuild 3430 +RMD160 a012cc3452be98fe240cde0921a8d5bd5397fbad tinker-4.2-r1.ebuild 3430 +SHA256 7c7b82c2aa065d7e8bc92997a42eb201ad9d5b2d53bf296958640a5dd9d20805 tinker-4.2-r1.ebuild 3430 +MISC ChangeLog 953 RMD160 4ccfb889ddf416a94ce696ee2d4c594940f3797a SHA1 c2eb2a0254b83f002cb18dc1e3f1376f95e70bc5 SHA256 3a8d565f33489de1f6854f1d407f3a3796239b08882cb4171e42c411766cb4f4 +MD5 800e5c6429ef6bcf1dab2a35b55a52d4 ChangeLog 953 +RMD160 4ccfb889ddf416a94ce696ee2d4c594940f3797a ChangeLog 953 +SHA256 3a8d565f33489de1f6854f1d407f3a3796239b08882cb4171e42c411766cb4f4 ChangeLog 953 MISC metadata.xml 248 RMD160 6488d9f1ef3e05e6ac5a29ddcc818e5ead0a5230 SHA1 75a648fddef9922cdfe21fb0298a1c746190fd82 SHA256 de0ad7dc383b462c407cae015684d27c090455eac87c6f0f9ff581ef6e0b5b27 MD5 af1bfbb0777267a03e889b08173f2757 metadata.xml 248 RMD160 6488d9f1ef3e05e6ac5a29ddcc818e5ead0a5230 metadata.xml 248 SHA256 de0ad7dc383b462c407cae015684d27c090455eac87c6f0f9ff581ef6e0b5b27 metadata.xml 248 -MD5 bc68e922b4d266a2d3b108476bd85f79 files/digest-tinker-4.2 223 -RMD160 9589a80d8582fe2e25496cb21966180ea7a45373 files/digest-tinker-4.2 223 -SHA256 673034fdeec36dc3123dfda32dc3160233724bc4011fdfc465327593c29e17d0 files/digest-tinker-4.2 223 +MD5 bc68e922b4d266a2d3b108476bd85f79 files/digest-tinker-4.2-r1 223 +RMD160 9589a80d8582fe2e25496cb21966180ea7a45373 files/digest-tinker-4.2-r1 223 +SHA256 673034fdeec36dc3123dfda32dc3160233724bc4011fdfc465327593c29e17d0 files/digest-tinker-4.2-r1 223 diff --git a/sci-chemistry/tinker/files/digest-tinker-4.2 b/sci-chemistry/tinker/files/digest-tinker-4.2 deleted file mode 100644 index a38c18473b35..000000000000 --- a/sci-chemistry/tinker/files/digest-tinker-4.2 +++ /dev/null @@ -1,3 +0,0 @@ -MD5 5618d8a373896f00e452b137200223fd tinker.tar.gz 8177555 -RMD160 95f904f03f6a1767bbf73b00f326d19a164b7a1c tinker.tar.gz 8177555 -SHA256 ad0cc9782dabdb0cce490fe26508761a36078e741f019090cbaa3e6cacf71055 tinker.tar.gz 8177555 diff --git a/sci-chemistry/tinker/tinker-4.2.ebuild b/sci-chemistry/tinker/tinker-4.2.ebuild deleted file mode 100644 index b77f61ecd7f1..000000000000 --- a/sci-chemistry/tinker/tinker-4.2.ebuild +++ /dev/null @@ -1,132 +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/tinker/tinker-4.2.ebuild,v 1.3 2006/06/21 06:55:41 spyderous Exp $ - -inherit fortran toolchain-funcs - -FORTRAN="g77 gfortran ifc" - -DESCRIPTION="TINKER is a molecular modeling package that includes force fields for handing large molecules and large systems, such as AMBER and CHARMM. A Java based visualization front end is included." -HOMEPAGE="http://dasher.wustl.edu/tinker/" -SRC_URI="ftp://dasher.wustl.edu/pub/tinker.tar.gz" -IUSE="X" -LICENSE="Tinker" -SLOT="0" -KEYWORDS="~x86" - -DEPEND="X? ( - || ( dev-java/blackdown-java3d-bin - dev-java/sun-java3d-bin ) - )" -S="${WORKDIR}/tinker/source" - -src_compile() { - if use X; then - COMPGUI="./compgui.make" - LINK="./linkgui.make" - if use ppc-macos; then - cp ../jar/macosx/sockets.c . - else - cp ../jar/linux/sockets.c . - fi - else - LINK="./link.make" - fi - - COMPILE="./compile.make" - LIBRARY="./library.make" - - # Need to make sure all of the appropriate config files are in place - # for the build. - # This should be easily customizable for other Fortran compilers, e.g. pg77. - if use ppc-macos; then - cp ../apple/gnu/* . - elif [ "${FORTRANC}" = "ifc" ]; then - cp ../linux/intel/* . - else - cp ../linux/gnu/* . - fi - - cp ../make/* . - - # Prep build scripts - if use X; then - sed -i \ - -e "s:-O3:${CFLAGS}:" \ - -e "s:gcc:$(tc-getCC):" \ - ${COMPGUI} - local JAVA_HOME=$(java-config --jdk-home) - local JAVA_LIB_PATH="${JAVA_HOME}/jre/lib/i386/client" - ln -s ${JAVA_LIB_PATH}/libjvm.so - sed -i -e "s:/local/java/j2sdk1.4.2_05:${JAVA_HOME}:g" ${COMPGUI} - sed -i -e "s:g77:${FORTRANC}:g" ${LINK} - fi - # Default to -O2 if FFLAGS is unset - sed -i -e "s:-O3 -ffast-math:${FFLAGS:- -O2}:" ${COMPILE} - sed -i -e "s:g77:${FORTRANC}:g" ${COMPILE} - - # Prep executable script - the one packaged with the distro is b0rked - if use X; then - echo 'java -jar /usr/lib/tinker/ffe.jar -Djava.library.path=$(java-config -i blackdown-java3d-bin) -cp $(java-config -p blackdown-java3d-bin)' > tinker - fi - - einfo "Compiling ..." - if use X; then - ${COMPGUI} || die "GUI compile failed" - fi - ${COMPILE} || die "compile failed" - einfo "Building libraries ..." - ${LIBRARY} || die "library creation failed" - einfo "Linking ..." - ${LINK} || die "link failed" -} - -src_install() { - exeinto /usr/bin - - dodoc \ - ${WORKDIR}/tinker/doc/*.txt \ - ${WORKDIR}/tinker/doc/release-4.2 \ - ${WORKDIR}/tinker/doc/*.pdf - - if use X; then - if use ppc-macos; then - dolib.so ${WORKDIR}/tinker/jar/macosx/libffe.jnilib - else - dolib.so ${WORKDIR}/tinker/jar/linux/libffe.so - fi - fi - - dolib.a libtinker.a - - insinto /usr/lib/tinker - if use X; then - doins ${WORKDIR}/tinker/jar/ffe.jar - fi - - for EXE in *.x; do - newexe ${EXE} ${EXE%.x} - done - - if use X; then - doexe tinker - fi - - docinto example - dodoc ${WORKDIR}/tinker/example/* - docinto test - dodoc ${WORKDIR}/tinker/test/* - - doexe ${WORKDIR}/tinker/perl/mdavg - - insinto /usr/share/tinker/params - doins ${WORKDIR}/tinker/params/* -} - -pkg_postinst() { - einfo "Tinker binaries installed to ${ROOT}usr/bin." - einfo "Parameter files installed to ${ROOT}usr/share/tinker/params." - einfo "Call the Java X front-end, Force-Field Explorer, with 'tinker.'" - einfo "It doesn't seem to detect installed Java3D yet, fixes welcome." - einfo "You must edit ${ROOT}usr/bin/tinker if you aren't using Blackdown." -} |