http://www.solve.lanl.gov/index.html Should be available for protein structure science. Perhaps the science overlay.
Created attachment 142808 [details] sci-chemistry/solve-resolve-2.13.ebuild sci-chemistry/solve-resolve-2.13.ebuild
Created attachment 142877 [details] solve-resolve-2.13.ebuild review I changed some lines and variables. Corrected the example files. amd64 added
Created attachment 142881 [details] solve-resolve-2.13.ebuild review2 license issue added
Created attachment 142882 [details] solve-resolve-2.13.ebuild review3 now it works fine.
Created attachment 143528 [details] solve-resolve-2.13.ebuild New portage explained me the usage of slots. Now corrected.
I have problems with the env variables. It works good for solve, but breaks ccp4, because ccp4 checks the SYMINFO and SYMOP variables if set and now they point to solves one and not to the ccp4 libs. Question is this a generell problem and should the env be removed?
Last comment is useless as both libs contain the same content!
> # Copyright 1999-2008 Gentoo Foundation > # Distributed under the terms of the GNU General Public License v2 > # $Header: $ > > inherit eutils > > SLOT="0" > #Someone should correct the license > #I do not know which to choose > LICENSE="licened" Add a new one if none of the existing ones fit. > KEYWORDS="x86 ~amd64" Can't start out marked stable. I assume you've tested both of these systems? > DESCRIPTION="Automated crystallographic structure solution for MIR, SAD, and MAD" > SRC_URI="x86? ( http://solve.lanl.gov/pub/solve/${PV}/solve-${PV}-linux.tar.gz ) > amd64? ( http://solve.lanl.gov/pub/solve/${PV}/solve-${PV}-linux-64.tar.gz )" > HOMEPAGE="http://www.solve.lanl.gov/index.html" > IUSE="" > RESTRICT="mirror" > > src_install(){ > IN_PATH=/opt/xray/solve-resolve/ What's up with the "xray" bit? > exeinto ${IN_PATH}bin/ > doexe solve-2.13/bin/* > cd solve-2.13/bin/ > for i in `ls resolve* solve*` > do > dosym ${IN_PATH}bin/$i /usr/bin/$i > done Again, the directory should go in PATH instead. > cd ${WORKDIR} > exeinto ${IN_PATH}lib/ > doexe solve-2.13/lib/{*sym,sym*,hist*,*dat} > exeinto ${IN_PATH}lib/segments > doexe solve-2.13/lib/segments/* > exeinto ${IN_PATH}lib/patterns > doexe solve-2.13/lib/patterns/* Why is all this executable? > > dohtml -r solve-2.13/lib/html/* > sed -i 's:/usr/local/lib/solve/:/opt/xray/solve-resolve/lib/:' \ > solve-2.13/lib/examples_solve/p9/solve* > sed -i 's:/usr/local/lib/resolve/:/opt/xray/solve-resolve/lib/:' \ > solve-2.13/lib/examples_resolve/{resolve.csh,prime_and_switch.csh} > insinto /usr/share/${PF}/examples_resolve > doins solve-2.13/lib/examples_resolve/* > insinto /usr/share/${PF}/examples_solve > doins -r solve-2.13/lib/examples_solve/* > > > cat >> "${T}"/20solve-resolve << EOF > CCP4_OPEN="UNKNOWN" > SYMOP="${IN_PATH}lib/symop.lib" > SYMINFO="${IN_PATH}lib/syminfo.lib" > SOLVEDIR="${IN_PATH}lib/" > EOF If you do '<<-' instead of '<<', you can indent the above lines. > > doenvd "${T}"/20solve-resolve > } > pkg_postinst(){ > einfo "Get a valid license key from" > einfo "http://solve.lanl.gov/license.html" > einfo "and place it in" > einfo "${IN_PATH}lib/" > }
(In reply to comment #8) > > # Copyright 1999-2008 Gentoo Foundation > > # Distributed under the terms of the GNU General Public License v2 > > # $Header: $ > > > > inherit eutils > > > > SLOT="0" > > #Someone should correct the license > > #I do not know which to choose > > LICENSE="licened" > > Add a new one if none of the existing ones fit. There is not a single licence which I could at. Perhaps I can get some help to choose the right one: http://www.solve.lanl.gov/license.html > > > KEYWORDS="x86 ~amd64" > > Can't start out marked stable. I assume you've tested both of these systems? Your right. Will change it. I tested it on both with the tutorial data which worked. > > > DESCRIPTION="Automated crystallographic structure solution for MIR, SAD, and MAD" > > SRC_URI="x86? ( http://solve.lanl.gov/pub/solve/${PV}/solve-${PV}-linux.tar.gz ) > > amd64? ( http://solve.lanl.gov/pub/solve/${PV}/solve-${PV}-linux-64.tar.gz )" > > HOMEPAGE="http://www.solve.lanl.gov/index.html" > > IUSE="" > > RESTRICT="mirror" > > > > src_install(){ > > IN_PATH=/opt/xray/solve-resolve/ > > What's up with the "xray" bit? Just a personal thiing to seperate xray from nmr stuff. Its not a must. I will remove it. > > > exeinto ${IN_PATH}bin/ > > doexe solve-2.13/bin/* > > cd solve-2.13/bin/ > > for i in `ls resolve* solve*` > > do > > dosym ${IN_PATH}bin/$i /usr/bin/$i > > done > > Again, the directory should go in PATH instead. I get it. > > > cd ${WORKDIR} > > exeinto ${IN_PATH}lib/ > > doexe solve-2.13/lib/{*sym,sym*,hist*,*dat} > > exeinto ${IN_PATH}lib/segments > > doexe solve-2.13/lib/segments/* > > exeinto ${IN_PATH}lib/patterns > > doexe solve-2.13/lib/patterns/* > > Why is all this executable? I dont know, but thats how the original install looks like. > > > > > dohtml -r solve-2.13/lib/html/* > > sed -i 's:/usr/local/lib/solve/:/opt/xray/solve-resolve/lib/:' \ > > solve-2.13/lib/examples_solve/p9/solve* > > sed -i 's:/usr/local/lib/resolve/:/opt/xray/solve-resolve/lib/:' \ > > solve-2.13/lib/examples_resolve/{resolve.csh,prime_and_switch.csh} > > insinto /usr/share/${PF}/examples_resolve > > doins solve-2.13/lib/examples_resolve/* > > insinto /usr/share/${PF}/examples_solve > > doins -r solve-2.13/lib/examples_solve/* > > > > > > cat >> "${T}"/20solve-resolve << EOF > > CCP4_OPEN="UNKNOWN" > > SYMOP="${IN_PATH}lib/symop.lib" > > SYMINFO="${IN_PATH}lib/syminfo.lib" > > SOLVEDIR="${IN_PATH}lib/" > > EOF > > If you do '<<-' instead of '<<', you can indent the above lines. Okey > > > > > doenvd "${T}"/20solve-resolve > > } > > pkg_postinst(){ > > einfo "Get a valid license key from" > > einfo "http://solve.lanl.gov/license.html" > > einfo "and place it in" > > einfo "${IN_PATH}lib/" > > } >
Created attachment 144424 [details] solve-resolve-2.13.ebuild
Created attachment 144427 [details] solve-resolve-2.13.ebuild xray removed
- Keywords should have -* to indicate that nothing else will work. - Should this also be named solve-resolve-bin since it's a binary package?
(In reply to comment #12) > - Keywords should have -* to indicate that nothing else will work. There are some other bins available, but I don't have the opportunity to test them, so I didn't include them. > - Should this also be named solve-resolve-bin since it's a binary package? True again. > License added.
Created attachment 146013 [details] sci-chemistry/solve-resolve-bin-2.13.ebuild
Created attachment 146015 [details] license
This is also part of Phenix, so I'd like to see about getting that working instead.
