diff options
Diffstat (limited to 'sci-chemistry/gromacs/gromacs-9999.ebuild')
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-9999.ebuild | 30 |
1 files changed, 25 insertions, 5 deletions
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild index 0dcac3d92..07aae9e98 100644 --- a/sci-chemistry/gromacs/gromacs-9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-9999.ebuild @@ -14,8 +14,7 @@ inherit autotools bash-completion eutils fortran git multilib toolchain-funcs DESCRIPTION="The ultimate molecular dynamics simulation package" HOMEPAGE="http://www.gromacs.org/" -SRC_URI="test? ( ftp://ftp.gromacs.org/pub/tests/gmxtest-${TEST_PV}.tgz ) - doc? ( ftp://ftp.gromacs.org/pub/manual/manual-4.0.pdf )" +SRC_URI="test? ( ftp://ftp.gromacs.org/pub/tests/gmxtest-${TEST_PV}.tgz )" LICENSE="GPL-2" SLOT="0" @@ -58,12 +57,19 @@ src_prepare() { ( use single-precision || use double-precision ) || \ die "Nothing to compile, enable single-precision and/or double-precision" + if use mpi && use threads; then + elog "mdrun uses only threads OR mpi, and gromacs favours the" + elog "use of mpi over threads, so a mpi-version of mdrun will" + elog "be compiled. If you want to run mdrun on shared memory" + elog "machines only, you can safely disable mpi" + fi + if use static; then use X && die "You cannot compile a static version with X support, disable X or static" use xml && die "You cannot compile a static version with xml support (see bug #306479), disable xml or static" fi - + epatch_user eautoreconf GMX_DIRS="" use single-precision && GMX_DIRS+=" single" @@ -189,6 +195,11 @@ src_compile() { cd "${S}-${x}" einfo "Compiling for ${x} precision" emake || die "emake for ${x} precision failed" + if use doc && [ -z "$OPTDIR" ]; then + cd src/contrib + emake options || die "emake options failed" + OPTDIR="${PWD}" + fi use mpi || continue cd "${S}-${x}_mpi" emake mdrun || die "emake mdrun for ${x} precision failed" @@ -230,10 +241,16 @@ src_install() { || die "Failed to fixup demo script." cd "${S}" - dodoc AUTHORS INSTALL README + dodoc AUTHORS INSTALL* README* if use doc; then - dodoc "${DISTDIR}/manual-4.0.pdf" dohtml -r "${ED}usr/share/gromacs/html/" + insinto /usr/share/gromacs + doins "admin/programs.txt" + ls -1 "${ED}"/usr/bin | sed -e '/_d$/d' > "${T}"/programs.list + doins "${T}"/programs.list + cd "${OPTDIR}" || die "cd "${OPTDIR}" failed" + ../../libtool --mode=install cp options "${ED}"/usr/bin/g_options \ + || die "install of g_options failed" fi rm -rf "${ED}usr/share/gromacs/html/" } @@ -250,4 +267,7 @@ pkg_postinst() { elog $(g_luck) elog "For more Gromacs cool quotes (gcq) add luck to your .bashrc" elog + if use doc; then + elog "Live Gromacs manual is available from app-doc/gromacs-manual" + fi } |