diff --git a/science/qbox/Makefile b/science/qbox/Makefile index 46cf84efca51..aa905b444c79 100644 --- a/science/qbox/Makefile +++ b/science/qbox/Makefile @@ -1,44 +1,43 @@ PORTNAME= qbox DISTVERSIONPREFIX= rel -DISTVERSION= 1_76_0 -PORTREVISION= 1 +DISTVERSION= 1_76_1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= First-principles molecular dynamics code WWW= http://qboxcode.org/ LICENSE= GPLv2+ LICENSE_FILE= ${WRKSRC}/../COPYING LIB_DEPENDS= libblas.so:math/blas \ libcurl.so:ftp/curl \ libfftw3.so:math/fftw3 \ liblapack.so:math/lapack \ - libmpich.so:net/mpich \ + libmpicxx.so:net/mpich \ libscalapack.so:math/scalapack \ libuuid.so:misc/e2fsprogs-libuuid \ libxerces-c.so:textproc/xerces-c3 USES= compiler:c++11-lang gmake iconv:wchar_t localbase:ldflags USE_GITHUB= yes GH_ACCOUNT= qboxcode GH_PROJECT= qbox-public WRKSRC_SUBDIR= src MAKE_ARGS= TARGET=freebsd ALL_TARGET= qb TEST_TARGET= tests # only builds tests, but doesn't run them: https://github.com/qboxcode/qbox-public/issues/6 PLIST_FILES= bin/qb post-extract: @${SED} -e 's|%%LOCALBASE%%|${LOCALBASE}|; s|%%CXXFLAGS%%|${CXXFLAGS}|; s|%%LDFLAGS%%|${LDFLAGS}|' < ${FILESDIR}/freebsd.mk.in > ${WRKSRC}/freebsd.mk do-install: ${INSTALL_PROGRAM} ${WRKSRC}/qb ${STAGEDIR}${PREFIX}/bin .include diff --git a/science/qbox/distinfo b/science/qbox/distinfo index ee2167df1bf7..773e85941ed3 100644 --- a/science/qbox/distinfo +++ b/science/qbox/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1686113510 -SHA256 (qboxcode-qbox-public-rel1_76_0_GH0.tar.gz) = d0bdfb8757a2abb650b16925f8ba6eb6b8ce1a9ab04baed0ceff6f96efafaa39 -SIZE (qboxcode-qbox-public-rel1_76_0_GH0.tar.gz) = 712670 +TIMESTAMP = 1703459304 +SHA256 (qboxcode-qbox-public-rel1_76_1_GH0.tar.gz) = 170bf87009e9628aa1ef829debdce9d95008be9b77030c74a7ffb665ccef5207 +SIZE (qboxcode-qbox-public-rel1_76_1_GH0.tar.gz) = 717021 diff --git a/science/qbox/files/patch-Makefile b/science/qbox/files/patch-Makefile new file mode 100644 index 000000000000..eddd60d505ae --- /dev/null +++ b/science/qbox/files/patch-Makefile @@ -0,0 +1,13 @@ +- workaround for https://github.com/qboxcode/qbox-public/issues/10 + +--- Makefile.orig 2023-12-24 23:28:51 UTC ++++ Makefile +@@ -82,7 +82,7 @@ CXXFLAGS += -DVERSION='"$(VERSION)"' + $(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS) + testCGOptimizer: testCGOptimizer.o CGOptimizer.o LineMinimizer.o + $(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS) +- testAndersonMixer: testAndersonMixer.o AndersonMixer.o Context.o ++ testAndersonMixer: testAndersonMixer.o AndersonMixer.o Context.o MPIdata.o + $(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS) + testSample: testSample.o AtomSet.o Atom.o Species.o \ + Wavefunction.o SlaterDet.o \