| # Copyright 1999-2014 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=" |
| ${MY_P}_all-mp.tar.gz |
| aria? ( aria2.3.2.tar.gz )" |
| |
| SLOT="0" |
| LICENSE="cns" |
| KEYWORDS="amd64 x86 ~amd64-linux ~x86-linux" |
| IUSE="aria openmp" |
| |
| RDEPEND="app-shells/tcsh" |
| DEPEND="${RDEPEND}" |
| |
| FORTRAN_NEED_OPENMP=1 |
| |
| S="${WORKDIR}/${MY_P}" |
| |
| RESTRICT="fetch test" |
| |
| 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}-parallel.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 [[ $(tc-getFC) =~ gfortran ]]; then |
| epatch "${FILESDIR}"/${PV}-allow-gcc-openmp.patch |
| use openmp && \ |
| append-flags -fopenmp && append-ldflags -fopenmp |
| COMP="gfortran" |
| [[ ${_bitness} == 64 ]] && \ |
| append-fflags -fdefault-integer-8 |
| elif [[ $(tc-getFC) == if* ]]; then |
| epatch "${FILESDIR}"/${PV}-ifort.patch |
| 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 "${T}"/ || die |
| sed \ |
| -e "s:_CNSsolve_location_:${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" \ |
| -i "${T}"/cns_solve_env_sh || die |
| |
| einfo "Fixing shebangs..." |
| find "${S}" -type f \ |
| -exec sed "s:/bin/csh:${EPREFIX}/bin/csh:g" -i '{}' + || die |
| } |
| |
| src_compile() { |
| local GLOBALS |
| local MALIGN |
| if [[ $(tc-getFC) =~ g77 ]]; then |
| GLOBALS="-fno-globals" |
| MALIGN='\$(CNS_MALIGN_I86)' |
| fi |
| |
| # Set up the compiler to use |
| ln -s Makefile.header instlib/machine/unsupported/g77-unix/Makefile.header.${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="$(tc-getCC)" \ |
| F77=$(tc-getFC) \ |
| LD=$(tc-getFC) \ |
| CCFLAGS="${CFLAGS} -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 ..." |
| csh -c \ |
| "export CNS_G77=ON; source ${S}/cns_solve_env; make run_tests" \ |
| || die "tests failed" |
| einfo "Displaying test results ..." |
| cat "${S}"/*_g77/test/*.diff-test |
| } |
| |
| src_install() { |
| # Install to locations resembling FHS |
| sed \ |
| -e "s:${S}:usr:g" \ |
| -e "s:^\(setenv CNS_SOLVE.*\):\1\nsetenv CNS_ROOT ${EPREFIX}/usr:g" \ |
| -e "s:^\(setenv CNS_SOLVE.*\):\1\nsetenv CNS_DATA \$CNS_ROOT/share/cns:g" \ |
| -e "s:^\(setenv CNS_SOLVE.*\):\1\nsetenv CNS_DOC \$CNS_ROOT/share/doc/${PF}:g" \ |
| -e "s:CNS_LIB \$CNS_SOLVE/libraries:CNS_LIB \$CNS_DATA/libraries:g" \ |
| -e "s:CNS_MODULE \$CNS_SOLVE/modules:CNS_MODULE \$CNS_DATA/modules:g" \ |
| -e "s:CNS_HELPLIB \$CNS_SOLVE/helplib:CNS_HELPLIB \$CNS_DATA/helplib:g" \ |
| -e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \ |
| -e "/^g77on/d" \ |
| -i "${S}"/cns_solve_env || die |
| # I don't entirely understand why the sh version requires a leading / |
| # for CNS_SOLVE and CNS_ROOT, but it does |
| sed \ |
| -e "s:${S}:/usr:g" \ |
| -e "s:^\(^[[:space:]]*CNS_SOLVE=.*\):\1\nexport CNS_ROOT=${EPREFIX}/usr:g" \ |
| -e "s:^\(^[[:space:]]*CNS_SOLVE=.*\):\1\nexport CNS_DATA=\$CNS_ROOT/share/cns:g" \ |
| -e "s:^\(^[[:space:]]*CNS_SOLVE=.*\):\1\nexport CNS_DOC=\$CNS_ROOT/share/doc/${PF}:g" \ |
| -e "s:CNS_LIB=\$CNS_SOLVE/libraries:CNS_LIB=\$CNS_DATA/libraries:g" \ |
| -e "s:CNS_MODULE=\$CNS_SOLVE/modules:CNS_MODULE=\$CNS_DATA/modules:g" \ |
| -e "s:CNS_HELPLIB=\$CNS_SOLVE/helplib:CNS_HELPLIB=\$CNS_DATA/helplib:g" \ |
| -e "s:\$CNS_SOLVE/bin/cns_info:\$CNS_DATA/cns_info:g" \ |
| -e "/^g77on/d" \ |
| -e "/^g77off/d" \ |
| -i "${T}"/cns_solve_env_sh || die |
| |
| # Get rid of setup stuff we don't need in the installed script |
| sed \ |
| -e "83,$ d" \ |
| -e "37,46 d" \ |
| -i "${S}"/cns_solve_env || die |
| sed \ |
| -e "84,$ d" \ |
| -e "39,50 d" \ |
| -i "${T}"/cns_solve_env_sh || die |
| |
| newbin "${S}"/*linux*/bin/cns_solve* cns_solve |
| |
| # Can be run by either cns_solve or cns |
| dosym cns_solve /usr/bin/cns |
| |
| # Don't want to install this |
| rm -f "${S}"/*linux*/utils/Makefile || die |
| |
| dobin "${S}"/*linux*/utils/* |
| |
| sed \ |
| -e "s:\$CNS_SOLVE/doc/:\$CNS_SOLVE/share/doc/${PF}/:g" \ |
| -i "${S}"/bin/cns_web || die |
| |
| dobin "${S}"/bin/cns_{edit,header,transfer,web} |
| |
| insinto /usr/share/cns |
| doins -r "${S}"/libraries "${S}"/modules "${S}"/helplib |
| doins "${S}"/bin/cns_info |
| |
| insinto /etc/profile.d |
| newins "${S}"/cns_solve_env cns_solve_env.csh |
| newins "${T}"/cns_solve_env_sh cns_solve_env.sh |
| |
| dohtml \ |
| -A iq,cgi,csh,cv,def,fm,gif,hkl,inp,jpeg,lib,link,list,mask,mtf,param,pdb,pdf,pl,ps,sc,sca,sdb,seq,tbl,top \ |
| -f all_cns_info_template,omac,def \ |
| -r doc/html/* |
| # Conflits with app-text/dos2unix |
| rm -f "${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 |
| } |