[149234] trunk/dports/science/abinit
dstrubbe at macports.org
dstrubbe at macports.org
Mon Jun 6 13:11:50 PDT 2016
Revision: 149234
https://trac.macports.org/changeset/149234
Author: dstrubbe at macports.org
Date: 2016-06-06 13:11:50 -0700 (Mon, 06 Jun 2016)
Log Message:
-----------
abinit: Update to 8.0.7. Remove traces of g95 support. Re-enable +wannier90 as default variant. Add patch for libxc 2.1.x support, and remove obsolete patch. (Closes #51570 from maintainer.)
Modified Paths:
--------------
trunk/dports/science/abinit/Portfile
Added Paths:
-----------
trunk/dports/science/abinit/files/patch-configure.diff
Removed Paths:
-------------
trunk/dports/science/abinit/files/patch-src-10_defs-defs_wannier90.F90.diff
Modified: trunk/dports/science/abinit/Portfile
===================================================================
--- trunk/dports/science/abinit/Portfile 2016-06-06 19:53:39 UTC (rev 149233)
+++ trunk/dports/science/abinit/Portfile 2016-06-06 20:11:50 UTC (rev 149234)
@@ -6,8 +6,7 @@
PortGroup linear_algebra 1.0
name abinit
-version 7.10.5
-revision 4
+version 8.0.7
categories science
platforms darwin
license GPL-3
@@ -33,14 +32,15 @@
homepage http://www.abinit.org
master_sites http://ftp.abinit.org/
-checksums rmd160 f77a9db5bcd97bcc46ea11a96bbf8f17cb1a19b3 \
- sha256 e9376a3e34790bce90992f28e5fa8554b51ba467bf5709c7fd25d300e7c4f56a
+checksums rmd160 b1992e1cb040d06224b3ff5a199352921203a340 \
+ sha256 9df2fe572af39cef937a4134d569321b99c6670f187edbac9b355ff2defd5afc
compilers.choose cc cxx fc
-# g95 is not compatible with OpenMP, and support will be removed in the next version
+# g95 is no longer supported by abinit
mpi.setup default require_fortran -g95
configure.args-append --enable-gw-dpc
+configure.fcflags-append -ffree-line-length-none
configure.optflags -O3
use_parallel_build yes
@@ -50,21 +50,12 @@
# 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
+default_variants +etsf_io +libxc +wannier90
-patchfiles patch-src-10_defs-defs_wannier90.F90.diff
+#Patch needed to link with libXC 2.1
+patchfiles patch-configure.diff
pre-configure {
- if {[fortran_variant_name] eq "g95"} {
- configure.fcflags-append -ffree-line-length-huge
- if {[variant_isset threads]} {
- ui_error "You can select only one of +g95 and +threads."
- return -code error "+g95 and +threads are not compatible since g95 does not support OpenMP."
- }
- } else {
- configure.fcflags-append -ffree-line-length-none
- }
-
if { [variant_isset etsf_io] } {
configure.args-append --with-trio-flavor="netcdf+etsf_io"
if { [variant_isset g95] } {
@@ -217,7 +208,6 @@
mpi.enforce_variant scalapack
}
-# abinit does not work with Wannier90 version 2.0.x currently
variant wannier90 description {Build with support for Wannier90} {
depends_lib-append port:wannier90
test.target-append wannier90 tutoplugs vdwxc
@@ -230,7 +220,7 @@
#variant bigdft description {Build with support for the wavelet BigDFT library} {
# avoid this error (and equivalent with OpenCL)
- # :info:build ar cru libCUDA.a
+ # :info:build ar cru libCUDA.a
# :info:build ar: no archive members specified
# patchfiles-append patch-fallbacks-sources-bigdft-1.7.0.93-src-Makefile.in.diff
#}
Added: trunk/dports/science/abinit/files/patch-configure.diff
===================================================================
--- trunk/dports/science/abinit/files/patch-configure.diff (rev 0)
+++ trunk/dports/science/abinit/files/patch-configure.diff 2016-06-06 20:11:50 UTC (rev 149234)
@@ -0,0 +1,31 @@
+--- configure.orig 2016-06-01 23:55:25.000000000 +0200
++++ configure 2016-06-02 00:07:00.000000000 +0200
+@@ -49268,7 +49268,7 @@
+
+ int major = -1, minor = -1;
+ xc_version(&major, &minor);
+- if ( (major != 2) || (minor < 2) || (minor > 2) ) {
++ if ( (major != 2) || (minor < 1) || (minor > 2) ) {
+ return 1; }
+
+ ;
+@@ -51558,7 +51558,7 @@
+ lib_etsf_io_libs='-L$(fallbacks_instdir)/lib -letsf_io_utils -letsf_io -letsf_io_low_level'
+ fi
+ if test "${enable_libxc}" = "yes"; then
+- lib_libxc_libs='-L$(fallbacks_instdir)/lib -lxcf90 -lxc'
++ lib_libxc_libs='-L$(fallbacks_instdir)/lib -lxc'
+ fi
+ if test "${enable_linalg}" = "yes"; then
+ lib_linalg_libs='-L$(fallbacks_instdir)/lib -llapack -lblas'
+@@ -52533,7 +52533,8 @@
+ if test -n "$CONFIG_FILES"; then
+
+
+-ac_cr='
+'
++ac_cr='
++'
+ ac_cs_awk_cr=`$AWK 'BEGIN { print "a\rb" }' </dev/null 2>/dev/null`
+ if test "$ac_cs_awk_cr" = "a${ac_cr}b"; then
+ ac_cs_awk_cr='\\r'
Deleted: trunk/dports/science/abinit/files/patch-src-10_defs-defs_wannier90.F90.diff
===================================================================
--- trunk/dports/science/abinit/files/patch-src-10_defs-defs_wannier90.F90.diff 2016-06-06 19:53:39 UTC (rev 149233)
+++ trunk/dports/science/abinit/files/patch-src-10_defs-defs_wannier90.F90.diff 2016-06-06 20:11:50 UTC (rev 149234)
@@ -1,22 +0,0 @@
---- src/10_defs/defs_wannier90.F90.orig 2016-03-07 18:33:53.664633000 +0100
-+++ src/10_defs/defs_wannier90.F90 2016-03-07 18:36:15.827013000 +0100
-@@ -31,7 +31,9 @@
- gamma_only_loc,spinors_loc, &
- nntot_loc,nnlist_loc,nncell_loc,num_bands_loc,num_wann_loc, &
- proj_site_loc,proj_l_loc,proj_m_loc,proj_radial_loc,proj_z_loc, &
-- proj_x_loc,proj_zona_loc,exclude_bands_loc)
-+ proj_x_loc,proj_zona_loc,exclude_bands_loc, &
-+& proj_s_loc,proj_s_qaxis_loc)
-+
- use defs_basis
- implicit none
- character(len=*), intent(in) :: seed__name
-@@ -59,6 +61,8 @@
- real(dp), dimension(3,num_bands_tot), intent(out) :: proj_x_loc
- real(dp), dimension(num_bands_tot), intent(out) :: proj_zona_loc
- integer, dimension(num_bands_tot), intent(out) :: exclude_bands_loc
-+ integer, dimension(num_bands_tot), optional, intent(out) :: proj_s_loc
-+ real(dp), dimension(3,num_bands_tot), optional, intent(out) :: proj_s_qaxis_loc
- end subroutine wannier_setup
- end interface
-
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