[131741] trunk/dports/science/abinit
dstrubbe at macports.org
dstrubbe at macports.org
Fri Jan 16 14:55:21 PST 2015
Revision: 131741
https://trac.macports.org/changeset/131741
Author: dstrubbe at macports.org
Date: 2015-01-16 14:55:20 -0800 (Fri, 16 Jan 2015)
Log Message:
-----------
abinit: Update to 7.10.2. A compiler flag for long lines needs to be passed. Add +gcc49 and make this default variant. Remove +wannier90 as default variant since it fails the test. Patch files are no longer needed.
Modified Paths:
--------------
trunk/dports/science/abinit/Portfile
Removed Paths:
-------------
trunk/dports/science/abinit/files/patch-configure.diff
trunk/dports/science/abinit/files/patch-src-71_bse-haydock.F90.diff
Modified: trunk/dports/science/abinit/Portfile
===================================================================
--- trunk/dports/science/abinit/Portfile 2015-01-16 22:22:37 UTC (rev 131740)
+++ trunk/dports/science/abinit/Portfile 2015-01-16 22:55:20 UTC (rev 131741)
@@ -5,7 +5,7 @@
PortGroup active_variants 1.1
name abinit
-version 7.8.2
+version 7.10.2
categories science
platforms darwin
license GPL-3
@@ -31,14 +31,18 @@
homepage http://www.abinit.org
master_sites http://ftp.abinit.org/
-checksums rmd160 c82fcc454ab7f337728fad33ca2d563887c15cba \
- sha256 793b8b5698f8a4231e34e62711e7d5f56fb276aa5bb3bad8303af0ae2f74aead
+checksums rmd160 cf4078c1eab2cc3200e084379738939cafda5ba2 \
+ sha256 cbead80096d97f1c8d08ccb3b9b2851ac1e56accaebe551d9ab29757e9cd531e
depends_lib port:atlas
configure.args --with-linalg-flavor="atlas" --enable-gw-dpc
configure.optflags -O3
+# FIXME: not right for g95? would be -ffree-line-length-huge. This is really the configure script's job? Not easy to set this right for MPI g95.
+# If this is not set, there will be some compilation failures, due to inadequate provisions by the code for compilers that don't accept long lines.
+configure.fcflags-append -ffree-line-length-none
+
# This is a temporary measure for debugging configure failure on Mountain Lion buildslave.
#checking for gcc... mpicc-mpich-mp
@@ -57,14 +61,15 @@
# but did not provide the libraries. That situation should never happen for this port.
#build.target multi multi_nprocs=4
-default_variants +etsf_io +libxc +wannier90
-if { ![variant_isset gcc46] && ![variant_isset gcc47] && ![variant_isset gcc48] } {
+default_variants +etsf_io +libxc
+# Do not put +wannier90 since tests fail for wannier90 use.
+if { ![variant_isset gcc46] && ![variant_isset gcc47] && ![variant_isset gcc48] && ![variant_isset gcc49] } {
if { ![variant_isset openmpi] } {
default_variants +mpich
} elseif { ![variant_isset mpich] } {
default_variants +openmpi
} else {
- default_variants +gcc48
+ default_variants +gcc49
}
}
@@ -130,11 +135,6 @@
# No need to check compiler for fftw-3
}
-#Fix unnecessary rejection of libxc 2.1.0
-#Fix an openMP syntax error
-patchfiles patch-configure.diff \
- patch-src-71_bse-haydock.F90.diff
-
pre-configure {
if { [variant_isset etsf_io] } {
configure.args-append --with-trio-flavor="netcdf+etsf_io"
@@ -194,23 +194,29 @@
test.run yes
test.cmd tests/runtests.py
test.target built-in fast
+# wannier90 test will probably fail.
-variant gcc46 conflicts gcc47 gcc48 openmpi mpich description {Build with GCC 4.6} {
+variant gcc46 conflicts gcc47 gcc48 gcc49 openmpi mpich description {Build with GCC 4.6} {
configure.compiler macports-gcc-4.6
configure.args-append FCCPP="${configure.cpp} -ansi"
}
-variant gcc47 conflicts gcc46 gcc48 openmpi mpich description {Build with GCC 4.7} {
+variant gcc47 conflicts gcc46 gcc48 gcc49 openmpi mpich description {Build with GCC 4.7} {
configure.compiler macports-gcc-4.7
configure.args-append FCCPP="${configure.cpp} -ansi"
}
-variant gcc48 conflicts gcc46 gcc47 openmpi mpich description {Build with GCC 4.8} {
+variant gcc48 conflicts gcc46 gcc47 gcc49 openmpi mpich description {Build with GCC 4.8} {
configure.compiler macports-gcc-4.8
configure.args-append FCCPP="${configure.cpp} -ansi"
}
-variant openmpi conflicts gcc46 gcc47 gcc48 mpich description {Build parallel version with OpenMPI} {
+variant gcc49 conflicts gcc46 gcc47 gcc48 openmpi mpich description {Build with GCC 4.9} {
+ configure.compiler macports-gcc-4.9
+ configure.args-append FCCPP="${configure.cpp} -ansi"
+}
+
+variant openmpi conflicts gcc46 gcc47 gcc48 gcc49 mpich description {Build parallel version with OpenMPI} {
depends_lib-append path:bin/mpif90-openmpi-mp:openmpi-default
configure.fc mpif90-openmpi-mp
configure.cc mpicc-openmpi-mp
@@ -221,7 +227,7 @@
test.env-append MPIEXEC=${prefix}/bin/mpiexec-openmpi-mp
}
-variant mpich conflicts gcc46 gcc47 gcc48 openmpi description {Build parallel version with MPICH} {
+variant mpich conflicts gcc46 gcc47 gcc48 gcc49 openmpi description {Build parallel version with MPICH} {
depends_lib-append path:bin/mpif90-mpich-mp:mpich-default
configure.fc mpif90-mpich-mp
configure.cc mpicc-mpich-mp
Deleted: trunk/dports/science/abinit/files/patch-configure.diff
===================================================================
--- trunk/dports/science/abinit/files/patch-configure.diff 2015-01-16 22:22:37 UTC (rev 131740)
+++ trunk/dports/science/abinit/files/patch-configure.diff 2015-01-16 22:55:20 UTC (rev 131741)
@@ -1,11 +0,0 @@
---- configure.orig 2014-09-15 16:54:13.000000000 -0400
-+++ configure 2014-09-15 16:54:45.000000000 -0400
-@@ -36647,7 +36647,7 @@
-
- int major = -1, minor = -1;
- xc_version(&major, &minor);
-- if ( (major != 2) || (minor != 0) ) {
-+ if ( (major != 2) || (minor >= 2) ) {
- return 1; }
-
- ;
Deleted: trunk/dports/science/abinit/files/patch-src-71_bse-haydock.F90.diff
===================================================================
--- trunk/dports/science/abinit/files/patch-src-71_bse-haydock.F90.diff 2015-01-16 22:22:37 UTC (rev 131740)
+++ trunk/dports/science/abinit/files/patch-src-71_bse-haydock.F90.diff 2015-01-16 22:55:20 UTC (rev 131741)
@@ -1,36 +0,0 @@
---- src/71_bse/haydock.F90.orig 2014-10-27 01:17:45.000000000 +0100
-+++ src/71_bse/haydock.F90 2014-10-27 01:14:25.000000000 +0100
-@@ -2229,7 +2229,9 @@
-
- c = czero
-
-- !$OMP PARALLEL DO DEFAULT(none) PRIVATE(A,b,c,is1,iv1,ic1,ibnd_coarse,it,allindices,is,iv,ic,idense,ineighbour,ind_with_nb) SHARED(BSp,overlaps,phi,nbnd_coarse,ophi,grid)
-+!$OMP PARALLEL DO DEFAULT(none) PRIVATE(A,b,c,is1,iv1,ic1,ibnd_coarse,it,allindices, &
-+!$OMP is,iv,ic,idense,ineighbour,ind_with_nb), &
-+!$OMP SHARED(BSp,overlaps,phi,nbnd_coarse,ophi,grid)
- do ik_dense = 1,grid%nbz_dense
- ! if( ik_dense is not in my set of k-points)
- ! ! continue
-@@ -2292,7 +2294,9 @@
- ABI_MALLOC(b,(grid%ndiv))
- ABI_MALLOC(c,(grid%ndiv))
-
-- !$OMP PARALLEL DO COLLAPSE(2) DEFAULT(none) PRIVATE(is, it_coarse, ibnd_coarse, ineighbour, b, c, tmp) SHARED(allp,BSp,interp_factors,ophi,indices)
-+ !$OMP PARALLEL DO COLLAPSE(2) DEFAULT(none), &
-+ !$OMP PRIVATE(is, it_coarse, ibnd_coarse, ineighbour, b, c, tmp), &
-+ !$OMP SHARED(allp,BSp,interp_factors,ophi,indices)
- do is = 1, BSp%nsppol
- do ineighbour = 1,8
-
-@@ -2348,7 +2352,10 @@
-
- c = czero
-
-- !$OMP PARALLEL DO COLLAPSE(2) DEFAULT(none) PRIVATE(ineighbour,ik_dense,is1,iv1,ic1,is,iv,ic,A,b,c,ibnd_coarse,ik_coarse,it,idense) SHARED(test,overlaps,ophi,BSp,grid,corresp,nbnd_coarse)
-+ !$OMP PARALLEL DO COLLAPSE(2) DEFAULT(none), &
-+ !$OMP PRIVATE(ineighbour,ik_dense,is1,iv1,ic1,is,iv,ic,A,b,c,ibnd_coarse, &
-+ !$OMP ik_coarse,it,idense), &
-+ !$OMP SHARED(test,overlaps,ophi,BSp,grid,corresp,nbnd_coarse)
- do ineighbour = 1,8
- do ik_dense = 1,grid%nbz_dense
- do is1 = 1, Bsp%nsppol
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