<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/ba95d1113f77b631fe62813acbf27e9c18c4c121">https://github.com/macports/macports-ports/commit/ba95d1113f77b631fe62813acbf27e9c18c4c121</a></p>
<pre style="white-space: pre; background: #F8F8F8"><span style='display:block; white-space:pre;color:#808000;'>commit ba95d1113f77b631fe62813acbf27e9c18c4c121
</span>Author: David Strubbe <dstrubbe@macports.org>
AuthorDate: Mon Sep 3 16:35:54 2018 -0700
<span style='display:block; white-space:pre;color:#404040;'> quantum-espresso: Update to 6.3. Add build of NEB. Fix Makefile bug with case-insensitivity.
</span>---
science/quantum-espresso/Portfile | 31 ++++++--------------
science/quantum-espresso/files/patch-Makefile.diff | 33 ++++++++++++++--------
2 files changed, 30 insertions(+), 34 deletions(-)
<span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/quantum-espresso/Portfile b/science/quantum-espresso/Portfile
</span><span style='display:block; white-space:pre;color:#808080;'>index 093616a..88551bf 100644
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>--- a/science/quantum-espresso/Portfile
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/quantum-espresso/Portfile
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -5,8 +5,7 @@ PortGroup mpi 1.0
</span> PortGroup linear_algebra 1.0
name quantum-espresso
<span style='display:block; white-space:pre;background:#ffe0e0;'>-version 6.2
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-revision 1
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+version 6.3
</span> categories science
platforms darwin
license GPL-2
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -20,21 +19,14 @@ long_description An integrated suite of open-source computer codes for electr
</span> This package will build pw, pp, ld1, upf, cp, and ph.
homepage http://www.quantum-espresso.org
<span style='display:block; white-space:pre;background:#ffe0e0;'>-# get link from http://www.qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseBrowse&frs_package_id=18
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-set url http://www.qe-forge.org/gf/download/frsrelease/244
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-master_sites ${url}/1114:espresso ${url}/1115:examples
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-distfiles qe-${version}${extract.suffix}:espresso \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- qe-${version}-examples${extract.suffix}:examples
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-checksums qe-${version}${extract.suffix} \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- rmd160 43b37a7f4bc22c2c02fad6d3c3d259a348d516aa \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- sha256 c5b7db155e01ebfba2c7977df94bd6e70ca8fe9fb51fb08aa2a8a3ef4398325d \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- qe-${version}-examples${extract.suffix} \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- rmd160 ab9d1411fe1349380dbd9f2494172d7248b2f425 \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- sha256 b98a99edde9bbe199469e9d354206383ea3e8a5b0cc90efbbfe40fae040fc225
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+master_sites https://gitlab.com/QEF/q-e/-/archive/qe-${version}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+checksums rmd160 2c2e20c94e3d0a48e1a78509d74efa5b7e0e36c5 \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ sha256 4067c8fffa957aabbd5cf2439e2fcb6cf3752325393c67a17d99fd09edf8689c \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ size 86418701
</span>
depends_lib-append port:fftw-3
<span style='display:block; white-space:pre;background:#ffe0e0;'>-distname qe-${version}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+distname q-e-qe-${version}
</span> use_autoconf yes
autoconf.args -i
autoconf.dir ${worksrcpath}/install
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -50,13 +42,6 @@ mpi.setup default require_fortran -g95
</span>
configure.optflags -O3
<span style='display:block; white-space:pre;background:#ffe0e0;'>-post-extract {
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- file mkdir ${worksrcpath}/Examples
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- move ${worksrcpath}/../PW/examples ${worksrcpath}/PW/
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- move ${worksrcpath}/../PHonon/examples ${worksrcpath}/PHonon/
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- move ${worksrcpath}/../PP/examples ${worksrcpath}/PP/
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-}
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-
</span> pre-test {
if {[mpi_variant_isset]} {
if {![catch {sysctl hw.ncpu} result]} {
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -132,7 +117,7 @@ if {[mpi_variant_isset]} {
</span>
use_parallel_build yes
build.target all-j
<span style='display:block; white-space:pre;background:#ffe0e0;'>-# as patched, builds pw pp ld1 upf ph
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# as patched, builds pw pp ld1 upf ph cp
</span>
# threads (including fftw/blas)
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -145,5 +130,5 @@ build.target all-j
</span> #}
livecheck.type regex
<span style='display:block; white-space:pre;background:#ffe0e0;'>-livecheck.url ${homepage}/news/
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+livecheck.url ${homepage}/news-events/news/
</span> livecheck.regex Version (\[0-9.\]+) of Quantum ESPRESSO is available for download.
<span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/quantum-espresso/files/patch-Makefile.diff b/science/quantum-espresso/files/patch-Makefile.diff
</span><span style='display:block; white-space:pre;color:#808080;'>index d4e34e4..36382b2 100644
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>--- a/science/quantum-espresso/files/patch-Makefile.diff
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/quantum-espresso/files/patch-Makefile.diff
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -1,32 +1,43 @@
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>---- Makefile.orig 2017-10-23 10:27:51.000000000 -0700
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-+++ Makefile 2017-11-09 11:42:24.000000000 -0800
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-@@ -65,6 +65,10 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+--- Makefile.orig 2018-07-04 02:14:20.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++++ Makefile 2018-09-03 13:57:36.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -65,6 +65,9 @@
</span> # If "|| exit 1" is not present, the error code from make in subdirectories
# is not returned and make goes on even if compilation has failed
+all-j :
<span style='display:block; white-space:pre;background:#ffe0e0;'>-+ $(MAKE) pw && $(MAKE) pp && $(MAKE) ph && $(MAKE) ld1 && $(MAKE) upf && $(MAKE) cp
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-+ #$(MAKE) libfox && $(MAKE) pw && $(MAKE) pp && $(MAKE) ph && $(MAKE) ld1 && $(MAKE) upf && $(MAKE) cp
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ $(MAKE) pw && $(MAKE) pp_ && $(MAKE) ph && $(MAKE) ld1 && $(MAKE) upf && $(MAKE) cp && $(MAKE) neb_
</span> +
<span style='display:block; white-space:pre;background:#ffe0e0;'>- pw : bindir libfft libdavid libcg libla libutil mods liblapack libs libiotk
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ pw : bindir libs mods libdavid libcg dftd3
</span> if test -d PW ; then \
( cd PW ; $(MAKE) TLDEPS= all || exit 1) ; fi
<span style='display:block; white-space:pre;background:#ffe0e0;'>-@@ -78,8 +82,9 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -74,10 +77,11 @@
</span> ( cd CPV ; $(MAKE) TLDEPS= all || exit 1) ; fi
<span style='display:block; white-space:pre;background:#ffe0e0;'>- ph : bindir libfft libla libutil mods libs pw lrmods
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ph : pw lrmods
</span> - if test -d PHonon; then \
- (cd PHonon; $(MAKE) all || exit 1) ; fi
+ ( cd PHonon/PH && $(MAKE) all ; cd .. || exit 1 )
+ ( cd PHonon/Gamma && $(MAKE) all ; cd .. || exit 1 )
+ ( cd PHonon/FD && $(MAKE) all ; cd .. || exit 1 )
<span style='display:block; white-space:pre;background:#ffe0e0;'>- neb : bindir libfft libla libutil mods libs pw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-neb : pw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++neb_ : pw
</span> if test -d NEB; then \
<span style='display:block; white-space:pre;background:#ffe0e0;'>-@@ -267,11 +272,11 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ (cd NEB; $(MAKE) all || exit 1) ; fi
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -85,7 +89,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if test -d TDDFPT; then \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ (cd TDDFPT; $(MAKE) all || exit 1) ; fi
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-pp : pw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++pp_ : pw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if test -d PP ; then \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ( cd PP ; $(MAKE) TLDEPS= all || exit 1 ) ; fi
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -264,11 +268,11 @@
</span> #########################################################
<span style='display:block; white-space:pre;background:#ffe0e0;'>- install : touch-dummy
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ install :
</span> - @if test -d bin ; then mkdir -p $(PREFIX)/bin ; \
+ @if test -d bin ; then mkdir -p $(DESTDIR)$(PREFIX)/bin ; \
for x in `find * ! -path "test-suite/*" -name *.x -type f` ; do \
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