| # Copyright 1999-2013 Gentoo Foundation |
| # Distributed under the terms of the GNU General Public License v2 |
| # $Id$ |
| |
| EAPI=5 |
| |
| inherit eutils fortran-2 toolchain-funcs versionator flag-o-matic |
| |
| MY_PN="${PN}_solve" |
| MY_PV="$(delete_version_separator 2)" |
| MY_P="${MY_PN}_${MY_PV}" |
| |
| DESCRIPTION="Crystallography and NMR System" |
| HOMEPAGE="http://cns.csb.yale.edu/" |
| SRC_URI=" |
| ${MY_P/p7}_all.tar.gz |
| aria? ( aria2.3.1.tar.gz )" |
| |
| SLOT="0" |
| LICENSE="cns" |
| KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" |
| IUSE="aria openmp" |
| |
| RDEPEND="app-shells/tcsh" |
| DEPEND="${RDEPEND}" |
| |
| FORTRAN_NEED_OPENMP=1 |
| |
| S="${WORKDIR}/${MY_P/p7}" |
| |
| RESTRICT="fetch" |
| |
| pkg_nofetch() { |
| elog "Fill out the form at http://cns.csb.yale.edu/cns_request/" |
| use aria && elog "and http://aria.pasteur.fr/" |
| elog "and place these files:" |
| elog ${A} |
| elog "in ${DISTDIR}." |
| } |
| |
| get_fcomp() { |
| case $(tc-getFC) in |
| *gfortran* ) |
| FCOMP="gfortran" ;; |
| ifort ) |
| FCOMP="ifc" ;; |
| * ) |
| FCOMP=$(tc-getFC) ;; |
| esac |
| } |
| |
| pkg_setup() { |
| fortran-2_pkg_setup |
| get_fcomp |
| } |
| |
| get_bitness() { |
| echo > "${T}"/test.c |
| $(tc-getCC) ${CFLAGS} -c "${T}"/test.c -o "${T}"/test.o |
| case $(file "${T}"/test.o) in |
| *64-bit*|*ppc64*|*x86_64*) export _bitness="64";; |
| *32-bit*|*ppc*|*i386*) export _bitness="32";; |
| *) die "Failed to detect whether your arch is 64bits or 32bits, disable distcc if you're using it, please";; |
| esac |
| } |
| |
| src_prepare() { |
| epatch \ |
| "${FILESDIR}"/${PV}-gentoo.patch \ |
| "${FILESDIR}"/${PV}-delete.patch |
| |
| get_bitness |
| |
| if use aria; then |
| pushd "${WORKDIR}"/aria* >& /dev/null |
| # Update the cns sources in aria for version 1.2.1 |
| epatch "${FILESDIR}"/1.2.1-aria2.3.patch |
| |
| # Update the code with aria specific things |
| cp -rf cns/src/* "${S}"/source/ || die |
| popd >& /dev/null |
| fi |
| |
| # the code uses Intel-compiler-specific directives |
| if [[ $(tc-getFC) =~ gfortran ]]; then |
| use openmp && \ |
| append-flags -fopenmp && append-ldflags -fopenmp |
| COMP="gfortran" |
| [[ ${_bitness} == 64 ]] && \ |
| append-fflags -fdefault-integer-8 |
| elif [[ $(tc-getFC) == if* ]]; then |
| use openmp && \ |
| append-flags -openmp && append-ldflags -openmp |
| COMP="ifort" |
| [[ ${_bitness} == 64 ]] && append-fflags -i8 |
| fi |
| |
| [[ ${_bitness} == 64 ]] && \ |
| append-cflags "-DINTEGER='long long int'" |
| |
| # Set up location for the build directory |
| # Uses obsolete `sort` syntax, so we set _POSIX2_VERSION |
| cp "${FILESDIR}"/cns_solve_env_sh-${PV} "${T}"/cns_solve_env_sh || die |
| sed \ |
| -e "s:_CNSsolve_location_:${S}:g" \ |
| -e "17 s:\(.*\):\1\nsetenv _POSIX2_VERSION 199209:g" \ |
| -i "${S}"/cns_solve_env || die |
| sed \ |
| -e "s:_CNSsolve_location_:${S}:g" \ |
| -e "17 s:\(.*\):\1\nexport _POSIX2_VERSION; _POSIX2_VERSION=199209:g" \ |
| -e "s:setenv OMP_STACKSIZE 256m:export OMP_STACKSIZE=256m:g" \ |
| -e "s:^limit:^ulimit:g" \ |
| -i "${T}"/cns_solve_env_sh || die |
| |
| ebegin "Fixing shebangs..." |
| find "${S}" -type f \ |
| -exec sed "s:/bin/csh:${EPREFIX}/bin/csh:g" -i '{}' + || die |
| find . -name "Makefile*" \ |
| -exec \ |
| sed \ |
| -e "s:^SHELL=/bin/sh:SHELL=${EPREFIX}/bin/sh:g" \ |
| -e "s:/bin/ls:ls:g" \ |
| -e "s:/bin/rm:rm:g" \ |
| -i '{}' + || die |
| eend |
| } |
| |
| src_compile() { |
| local GLOBALS |
| local MALIGN |
| |
| # Set up the compiler to use |
| ln -s Makefile.header instlib/machine/unsupported/g77-unix/Makefile.header.${FCOMP} || die |
| |
| # make install really means build, since it's expected to be used in-place |
| # -j1 doesn't mean we do no respect MAKEOPTS! |
| emake -j1 \ |
| CC="$(tc-getCC)" \ |
| CXX="$(tc-getCXX)" \ |
| F77=$(tc-getFC) \ |
| LD=$(tc-getFC) \ |
| CCFLAGS="${CFLAGS} -DCNS_ARCH_TYPE_\$(CNS_ARCH_TYPE) \$(EXT_CCFLAGS)" \ |
| CXXFLAGS="${CXXFLAGS} -DCNS_ARCH_TYPE_\$(CNS_ARCH_TYPE) \$(EXT_CCFLAGS)" \ |
| LDFLAGS="${LDFLAGS}" \ |
| F77OPT="${FCFLAGS} ${MALIGN}" \ |
| F77STD="${GLOBALS}" \ |
| OMPLIB="${OMPLIB}" \ |
| compiler="${COMP}" \ |
| install |
| } |
| |
| src_test() { |
| # We need to force on g77 manually, because we can't get aliases working |
| # when we source in a -c |
| einfo "Running tests ..." |
| sh -c \ |
| "export CNS_G77=ON; source ${T}/cns_solve_env_sh; make run_tests" \ |
| || die "tests failed" |
| einfo "Displaying test results ..." |
| cat "${S}"/*_g77/test/*.diff-test |
| } |
| |
| src_install() { |
| cat >> "${T}"/66cns <<- EOF |
| CNS_SOLVE="${EPREFIX}/usr" |
| CNS_ROOT="${EPREFIX}/usr" |
| CNS_DATA="${EPREFIX}/usr/share/cns" |
| CNS_DOC="${EPREFIX}/usr/share/doc/cns-1.3" |
| CNS_LIB="${EPREFIX}/usr/share/cns/libraries" |
| CNS_MODULE="${EPREFIX}/usr/share/cns/modules" |
| CNS_TOPPAR="${EPREFIX}/usr/share/cns/libraries/toppar" |
| CNS_CONFDB="${EPREFIX}/usr/share/cns/libraries/confdb" |
| CNS_XTALLIB="${EPREFIX}/usr/share/cns/libraries/xtal" |
| CNS_NMRLIB="${EPREFIX}/usr/share/cns/libraries/nmr" |
| CNS_XRAYLIB="${EPREFIX}/usr/share/cns/libraries/xray" |
| CNS_XTALMODULE="${EPREFIX}/usr/share/cns/modules/xtal" |
| CNS_NMRMODULE="${EPREFIX}/usr/share/cns/modules/nmr" |
| CNS_HELPLIB="${EPREFIX}/usr/share/cns/helplib" |
| EOF |
| |
| doenvd "${T}"/66cns || die |
| |
| # Don't want to install this |
| rm -f "${S}"/*linux*/utils/Makefile || die |
| |
| sed \ |
| -e "s:\$CNS_SOLVE/doc/:\$CNS_SOLVE/share/doc/${PF}/:g" \ |
| -i "${S}"/bin/cns_web || die |
| |
| newbin "${S}"/*linux*/bin/cns_solve* cns_solve |
| |
| # Can be run by either cns_solve or cns |
| dosym cns_solve /usr/bin/cns |
| |
| dobin \ |
| "${S}"/*linux*/utils/* \ |
| "${S}"/bin/cns_{edit,header,import_cif,transfer,web} |
| |
| insinto /usr/share/cns |
| doins -r "${S}"/libraries "${S}"/modules "${S}"/helplib "${S}"/bin/cns_info |
| |
| dohtml \ |
| -A iq,cgi,csh,cv,def,fm,gif,hkl,inp,jpeg,lib,link,list,mask,mtf,param,pdb,pdf,pl,ps,sc,sca,sdb,seq,tbl,top \ |
| -f all_cns_info_template,omac,def \ |
| -r doc/html/* |
| # Conflits with app-text/dos2unix |
| rm -f "${D}"/usr/bin/dos2unix || die |
| } |
| |
| pkg_postinst() { |
| if use openmp; then |
| elog "Set OMP_NUM_THREADS to the number of threads you want." |
| elog "If you get segfaults on large structures, set the GOMP_STACKSIZE" |
| elog "variable if using gcc (16384 should be good)." |
| fi |
| } |