# Copyright 1999-2019 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 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 "into your DISTDIR directory." } 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 }