<pre style='margin:0'>
David Strubbe (dstrubbe) pushed a commit to branch master
in repository macports-ports.
</pre>
<p><a href="https://github.com/macports/macports-ports/commit/a078547d094a42478570163459e58179f20a8d54">https://github.com/macports/macports-ports/commit/a078547d094a42478570163459e58179f20a8d54</a></p>
<pre style="white-space: pre; background: #F8F8F8">The following commit(s) were added to refs/heads/master by this push:
<span style='display:block; white-space:pre;color:#404040;'> new a078547 berkeleygw: Update to 2.0.0.
</span>a078547 is described below
<span style='display:block; white-space:pre;color:#808000;'>commit a078547d094a42478570163459e58179f20a8d54
</span>Author: David Strubbe <dstrubbe@macports.org>
AuthorDate: Wed Jul 18 17:16:04 2018 -0400
<span style='display:block; white-space:pre;color:#404040;'> berkeleygw: Update to 2.0.0.
</span>---
science/berkeleygw/Portfile | 88 +++++++++-------------
.../files/patch-Common-common-rules.mk.diff | 9 ---
science/berkeleygw/files/patch-Makefile.diff | 26 ++++---
3 files changed, 50 insertions(+), 73 deletions(-)
<span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/berkeleygw/Portfile b/science/berkeleygw/Portfile
</span><span style='display:block; white-space:pre;color:#808080;'>index d88494a..629ab0f 100644
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>--- a/science/berkeleygw/Portfile
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/berkeleygw/Portfile
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -5,12 +5,11 @@ PortGroup mpi 1.0
</span> PortGroup linear_algebra 1.0
name berkeleygw
<span style='display:block; white-space:pre;background:#ffe0e0;'>-version 1.2.0
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+version 2.0.0
</span> categories science
platforms darwin
license BSD
maintainers {dstrubbe @dstrubbe}
<span style='display:block; white-space:pre;background:#ffe0e0;'>-revision 2
</span>
description GW/Bethe-Salpeter equation
long_description BerkeleyGW is a set of computer codes that calculate the quasiparticle properties \
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -19,14 +18,14 @@ long_description BerkeleyGW is a set of computer codes that calculate the qua
</span> (the GW approximation and Bethe-Salpeter equation).
homepage http://www.berkeleygw.org
<span style='display:block; white-space:pre;background:#ffe0e0;'>-checksums rmd160 26933a24c10ba03457c667bc5f2d3ca21df2a436 \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- sha256 1305dc8587af666fe437bc2561a9106b2b0bcdbe91980b8f1ae7bbd491ce1e25
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+checksums rmd160 56c3330b9f8928439b04b503f56a3df6dc3a32f0 \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ sha256 887146cc6598a509a6d2a7b5044d12ebc5a4a2c7b028513f247fe62cf0861563 \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ size 71864027
</span>
master_sites https://berkeley.box.com/shared/static
<span style='display:block; white-space:pre;background:#ffe0e0;'>-distfiles 829s6ha4popx1g4cslpklzh5znf2v6la.gz
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-#old name: BGW-${version}.tar.gz; master_sites ${homepage}/releases
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+distfiles wkqu37wu77tll53r8t1soe6ozqja67yy.gz
</span> # needed for case-sensitive filesystems
<span style='display:block; white-space:pre;background:#ffe0e0;'>-worksrcdir BerkeleyGW-${version}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+worksrcdir BGW-${version}
</span>
depends_lib port:fftw-3
if {![variant_isset fftw2]} {
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -42,25 +41,19 @@ if {![variant_isset fftw2]} {
</span>
# WHAT DO WE DO WHEN meaning of 'gfortran' is updated? No record... Maybe rename to gfortran5 etc. ?
<span style='display:block; white-space:pre;background:#ffe0e0;'>-# test hangs in Epsilon with OpenMPI, for unknown reason.
</span> compilers.choose fc cc cxx cpp
<span style='display:block; white-space:pre;background:#ffe0e0;'>-# can we re-enable OpenMPI?
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-mpi.setup require_fortran -openmpi -openmpi_devel -gfortran -clang
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-# FIXME: +gfortran just needs smarter setting of cpp to the one from gcc;
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-#clang and llvm only useful with +g95 currently (which is useless)
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-# just for cpp
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-if {[variant_isset g95]} {
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- depends_build-append port:llvm-gcc42
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+mpi.setup require_fortran -g95
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# won't compile with g95
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#In file Common/timing.p.f:289
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# contains
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# 1
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#Error: Unexpected CONTAINS statement at (1)
</span>
<span style='display:block; white-space:pre;background:#ffe0e0;'>-# FIXME: this unnecessarily enforces scalapack also had same C compiler as we are using.
</span> if {[mpi_variant_isset]} {
depends_lib-append port:scalapack
<span style='display:block; white-space:pre;background:#ffe0e0;'>- if {![mpi_variant_isset]} {
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- ui_error "+scalapack requires an MPI variant. Choose +mpich, +mpich_devel, +openmpi, or +openmpi_devel."
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- return -code error "+scalapack requires an MPI variant."
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- }
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #FIXME: this unnecessarily enforces scalapack also had same C compiler as we are using.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # Without this MPI consistency, a seg fault may occur.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ mpi.enforce_variant scalapack
</span> }
# fftw is not universal
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -69,32 +62,17 @@ universal_variant no
</span> configure {
system -W ${worksrcpath} "sed 's|/opt/local|${prefix}|' < config/generic.serial.macos.mk > arch.mk"
reinplace -W ${worksrcpath} "s|MATHFLAG += -DHDF5||" arch.mk
<span style='display:block; white-space:pre;background:#ffe0e0;'>- if {![variant_isset hdf5]} {
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- system -W ${worksrcpath} "echo 'HDF5LIB=' >> arch.mk"
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- }
</span> }
<span style='display:block; white-space:pre;background:#ffe0e0;'>-patchfiles patch-Common-common-rules.mk.diff \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- patch-Makefile.diff
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# fix changed path, otherwise destroot would fail
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+patchfiles patch-Makefile.diff
</span>
build.target all-flavors
use_parallel_build yes
destroot.post_args INSTDIR=${destroot}${prefix}
<span style='display:block; white-space:pre;background:#ffe0e0;'>-post-extract {
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- # note: this needs to be fixed upstream
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- system "chmod -R a+rX ${worksrcpath}"
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- # Otherwise would have this:
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-#ls -lt /opt/local/share/berkeleyGW/
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-#total 744
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-#drwx------ 5 root admin 170 Jan 30 11:12 examples
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-#drwx------ 40 root admin 1360 Jan 30 11:12 testsuite
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-#-rwxr-xr-x 1 root admin 379415 Jan 30 11:12 manual.html
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-}
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-
</span> test.run yes
<span style='display:block; white-space:pre;background:#ffe0e0;'>-
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# BN.test will fail because it is written assuming h5
</span>
#depends_build port:gsed
pre-test {
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -126,6 +104,7 @@ pre-build {
</span> set mathflag ""
if {[variant_isset hdf5]} {
set mathflag "${mathflag} -DHDF5"
<span style='display:block; white-space:pre;background:#e0ffe0;'>+ reinplace -W ${worksrcpath} "s|\#HDF5|HDF5|g" arch.mk
</span> }
if {[variant_isset fftw2]} {
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -140,20 +119,21 @@ pre-build {
</span> }
if {[variant_isset g95]} {
<span style='display:block; white-space:pre;background:#ffe0e0;'>- set configure.cpp llvm-cpp-4.2
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- }
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- if {[variant_isset g95]} {
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- build.args-append COMPFLAG="-DG95" FCPP="${configure.cpp} -P -C" \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- F90free="${prefix}/bin/g95 -ffree-form -ffree-line-length-huge -fno-second-underscore" \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- MOD_OPT="-fmod="
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ build.args-append COMPFLAG="-DG95" FCPP="${configure.cc} -E -x c -P -ansi" MOD_OPT="-fmod=" \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ F90free="${prefix}/bin/g95 -ffree-form -ffree-line-length-huge -fno-second-underscore"
</span> # test, destroot args needed just to avoid trying to build in the test/openmp directory unnecessarily
test.args-append COMPFLAG="-DG95"
destroot.args-append COMPFLAG="-DG95"
} else {
<span style='display:block; white-space:pre;background:#e0ffe0;'>+ if {[gcc_variant_isset]} {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ build.args-append FCPP="${configure.cpp} -C"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ } else {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # for clang. Could be wrong in odd situation where no C variant is set, and default is not clang.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ build.args-append FCPP="${configure.cc} -E -x c -ansi"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ }
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span> # gcc is default in arch.mk so most things do not need to be modified
<span style='display:block; white-space:pre;background:#ffe0e0;'>- build.args-append FCPP="${configure.cpp} -C" \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- F90free="${configure.fc} -ffree-form -ffree-line-length-none -fno-second-underscore"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ build.args-append F90free="${configure.fc} -ffree-form -ffree-line-length-none -fno-second-underscore"
</span> }
if {[variant_isset threads]} {
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -184,6 +164,8 @@ variant hdf5 description {Build with HDF5 support for faster epsmat I/O} {
</span> depends_lib-append port:hdf5
require_active_variants port:hdf5 hl
compilers.enforce_fortran hdf5
<span style='display:block; white-space:pre;background:#e0ffe0;'>+ mpi.enforce_variant hdf5
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # if MPI, hdf5 must have MPI
</span> }
variant fftw2 description {Build with FFTW-2} {
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -191,8 +173,6 @@ variant fftw2 description {Build with FFTW-2} {
</span> # fftw port always has a Fortran variant
}
<span style='display:block; white-space:pre;background:#ffe0e0;'>-livecheck.type none
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-# This is broken currently due to changes in the settings to the code's webpage.
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-#livecheck.type regex
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-#livecheck.url ${homepage}/?q=node/6
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-#livecheck.regex BGW-(\[0-9.\]+).tar.gz
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+livecheck.type regex
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+livecheck.url https://berkeleygw.org/download/
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+livecheck.regex BGW-(\[0-9.\]+).tar.gz
</span><span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/berkeleygw/files/patch-Common-common-rules.mk.diff b/science/berkeleygw/files/patch-Common-common-rules.mk.diff
</span>deleted file mode 100644
<span style='display:block; white-space:pre;color:#808080;'>index df1bf09..0000000
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>--- a/science/berkeleygw/files/patch-Common-common-rules.mk.diff
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ /dev/null
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -1,9 +0,0 @@
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>---- Common/common-rules.mk.orig 2016-09-09 10:35:06.000000000 -0700
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-+++ Common/common-rules.mk 2016-09-09 10:35:16.000000000 -0700
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-@@ -333,4 +333,5 @@
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- clean-keepmod clean-keepmod-common \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- clean-keepmod-utilities clean-cpp clean-wfnutils \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- qhull clean-qhull cleanall-qhull clean-keepmod-qhull \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>--abi2bgw clean-abi2bgw cleanall-abi2bgw clean-keepmod-abi2bgw
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-+abi2bgw clean-abi2bgw cleanall-abi2bgw clean-keepmod-abi2bgw \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-+sapo epm icm utilities
</span><span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/berkeleygw/files/patch-Makefile.diff b/science/berkeleygw/files/patch-Makefile.diff
</span><span style='display:block; white-space:pre;color:#808080;'>index 23b7477..b464a74 100644
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>--- a/science/berkeleygw/files/patch-Makefile.diff
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/berkeleygw/files/patch-Makefile.diff
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -1,11 +1,17 @@
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>---- Makefile.orig 2016-09-09 18:09:20.000000000 -0400
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-+++ Makefile 2016-09-09 18:09:31.000000000 -0400
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-@@ -106,7 +106,7 @@
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- manual: printsvninfo
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- bin/assemble_manual.sh > manual.html
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+--- Makefile.orig 2018-07-17 10:35:04.000000000 -0400
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++++ Makefile 2018-07-17 10:35:44.000000000 -0400
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -124,7 +124,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # install cannot work on a whole directory
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ cp -rf examples $(INSTDIR)/share/BerkeleyGW/
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ cp -rf testsuite $(INSTDIR)/share/BerkeleyGW/
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- install manual.html $(INSTDIR)/share/BerkeleyGW/
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ install documentation/users/manual.html $(INSTDIR)/share/BerkeleyGW/
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ else
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ $(error Error: Please define installation prefix INSTDIR via 'make install INSTDIR='.)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ endif
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -150,4 +150,4 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ cleanall: cleanall-bin $(CLEANALL_DIRS)
</span>
<span style='display:block; white-space:pre;background:#ffe0e0;'>--install: all-flavors
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-+install: all
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- ifdef INSTDIR
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- mkdir -p $(INSTDIR)/bin
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- install bin/*.x $(INSTDIR)/bin/
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ clean-manual:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- -$(REMOVE) manual.html
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ -$(REMOVE) documentation/users/manual.html
</span></pre><pre style='margin:0'>
</pre>