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authorDonnie Berkholz <dberkholz@gentoo.org>2009-03-27 22:52:09 +0100
committerDonnie Berkholz <dberkholz@gentoo.org>2009-03-27 22:52:09 +0100
commit308d4f5d3f36a02e720ecb93e97314a0d5da5d9a (patch)
tree5e279fa7ad1d8fbc527a5f3453ab7f880b5e3f16 /sci-physics
parentfox: we need to install FoX-config so abinit will find fox. (diff)
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abinit: further progress toward a working ebuild.
- Port to EAPI=2 for easier development, so I don't have to re-run configure when I'm re-running src_compile. - Pull repeated information from plugins options into variables. - Fall back to compiler flags more intelligently. - For tests, use 'report' files instead of anything else because these are very readable and parsed into a format that's easy to interpret.
Diffstat (limited to 'sci-physics')
-rw-r--r--sci-physics/abinit/Manifest2
-rw-r--r--sci-physics/abinit/abinit-5.7.3.ebuild45
2 files changed, 25 insertions, 22 deletions
diff --git a/sci-physics/abinit/Manifest b/sci-physics/abinit/Manifest
index 9e7854a..558e583 100644
--- a/sci-physics/abinit/Manifest
+++ b/sci-physics/abinit/Manifest
@@ -1,3 +1,3 @@
AUX 5.3.4-change-default-directories.patch 1550 RMD160 02abf8695d4a12b0d47b96f86fedb05f65f0fde8 SHA1 03c6200cbe0458040cd3f7af42a28515b4c17b57 SHA256 3d493ed6f49924c248694d0de5aa0c66ac693b4ce5c6b3ce892471c9b2d7fbf7
DIST abinit-5.7.3.tar.gz 31683174 RMD160 e2a6094a0034b9ccedac845be86b2f85b188f300 SHA1 94410b006038d55531a1d352df63ba7cb0680da9 SHA256 caac56530ceaa5e16326fd4407adcd0b1aede07ded51017f3eb6a6a3696c2867
-EBUILD abinit-5.7.3.ebuild 2360 RMD160 a2211584ce6b990a3874e5eb6a0584f2007a9897 SHA1 7b65c21f2f68253fd12cde8da609301a5fda0b53 SHA256 1ef9ee66d8b68221b7e843faa78765e81041663b8061688c7a5153203de0526f
+EBUILD abinit-5.7.3.ebuild 2465 RMD160 0c592e019df0e0f4bce6bc785ccb133e6db1bf97 SHA1 13bdc869c246ea73db3c06355e0300005067e5d1 SHA256 54bfaf200039074be980af0f7e7932d78f97f26d727b84c733a7a574d58dca11
diff --git a/sci-physics/abinit/abinit-5.7.3.ebuild b/sci-physics/abinit/abinit-5.7.3.ebuild
index 408ee40..40fab3e 100644
--- a/sci-physics/abinit/abinit-5.7.3.ebuild
+++ b/sci-physics/abinit/abinit-5.7.3.ebuild
@@ -1,7 +1,9 @@
# Copyright 1999-2009 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
-inherit fortran toolchain-funcs
+EAPI="2"
+
+inherit fortran multilib toolchain-funcs
DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory"
HOMEPAGE="http://www.abinit.org/"
@@ -26,38 +28,39 @@ DEPEND="${RDEPEND}"
# F90 code, g77 won't work
FORTRAN="gfortran ifc mpif90"
-src_unpack() {
- unpack ${A}
- cd "${S}"
+src_prepare() {
epatch "${FILESDIR}"/5.3.4-change-default-directories.patch
-
eautoreconf
}
-src_compile() {
+src_configure() {
+ local libs="-L/usr/$(get_libdir)"
+ local modules="-I/usr/$(get_libdir)/finclude"
econf \
$(use_enable mpi) \
- --with-linalg-libs="-lblas -llapack" \
+ --with-linalg-libs="${libs} -lblas -llapack" \
--with-netcdf-includes="-I/usr/include" \
- --with-netcdf-libs="-lnetcdff" \
- --with-fox-includes="-I/usr/lib/finclude" \
- --with-fox-libs="-lwcml" \
- --with-etsf-io-includes="-I/usr/lib/finclude" \
- --with-etsf-io-libs="-letsf_io -letsf_io_low_level -letsf_io_utils" \
- --with-etsf-xc-includes="-I/usr/lib/finclude" \
- --with-etsf-xc-libs="-lxc -lstring_f" \
- --with-bigdft-includes="-I/usr/lib/finclude" \
- --with-bigdft-libs="-lpoissonsolver -lbigdft" \
+ --with-netcdf-libs="${libs} -lnetcdff" \
+ --with-fox-includes="${modules}" \
+ --with-fox-libs="${libs} -lwcml" \
+ --with-etsf-io-includes="${modules}" \
+ --with-etsf-io-libs="${libs} -letsf_io -letsf_io_low_level -letsf_io_utils" \
+ --with-etsf-xc-includes="${modules}" \
+ --with-etsf-xc-libs="${libs} -lxc -lstring_f" \
+ --with-bigdft-includes="${modules}" \
+ --with-bigdft-libs="${libs} -lpoissonsolver -lbigdft" \
--with-wannier90="/usr/bin/wannier90.x" \
- --with-wannier90-includes="-I/usr/lib/finclude" \
- --with-wannier90-libs="-lwannier" \
+ --with-wannier90-includes="${modules}" \
+ --with-wannier90-libs="${libs} -lwannier" \
--with-cc-optflags="${CFLAGS}" \
- --with-fc-optflags="${FFLAGS}" \
+ --with-fc-optflags="${FCFLAGS:- ${FFLAGS:- -O2}}" \
--with-fc-ld-optlibs='-lpthread' \
FC="${FORTRANC}" \
CC="$(tc-getCC)" \
LD="$(tc-getLD)"
+}
+src_compile() {
if use mpi; then
emake multi || die
else
@@ -72,13 +75,13 @@ src_test() {
emake tests_dev
local REPORT
- for REPORT in $(find . -name summary*); do
+ for REPORT in $(find . -name report); do
REPORT=${REPORT#*/}
elog "Parameters and unusual results for ${REPORT%%/*} tests"
while read line; do
elog "${line}"
done \
- < <(grep -v 'no significant difference has been found' ${REPORT})
+ < <(grep -v -e succeeded -e passed ${REPORT})
done
elog "The full test results will be installed as summary_tests.tar.gz."