svn commit: r555449 - head/science/quantum-espresso
Yuri Victorovich
yuri at FreeBSD.org
Mon Nov 16 04:05:32 UTC 2020
Author: yuri
Date: Mon Nov 16 04:05:31 2020
New Revision: 555449
URL: https://svnweb.freebsd.org/changeset/ports/555449
Log:
science/quantum-espresso: Update 6.5 -> 6.6
Modified:
head/science/quantum-espresso/Makefile
head/science/quantum-espresso/distinfo
head/science/quantum-espresso/pkg-plist
Modified: head/science/quantum-espresso/Makefile
==============================================================================
--- head/science/quantum-espresso/Makefile Mon Nov 16 03:52:30 2020 (r555448)
+++ head/science/quantum-espresso/Makefile Mon Nov 16 04:05:31 2020 (r555449)
@@ -2,7 +2,7 @@
PORTNAME= quantum-espresso
DISTVERSIONPREFIX= qe-
-DISTVERSION= 6.5
+DISTVERSION= 6.6
CATEGORIES= science
MAINTAINER= yuri at FreeBSD.org
@@ -34,6 +34,12 @@ LDFLAGS+= ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgfortr
MAKE_JOBS_UNSAFE= yes # https://github.com/QEF/q-e/issues/9
+.include <bsd.port.pre.mk>
+
+. if ${GCC_DEFAULT} >= 10
+FFLAGS+= -fallow-argument-mismatch # workaround for https://github.com/QEF/q-e/issues/34
+. endif
+
post-extract:
@${RM} ${WRKSRC}/archive/lapack-3.6.1.tgz
@cd ${WRKSRC} && ${MKDIR} FoX && ${LN} -s ${LOCALBASE}/include FoX/finclude
@@ -42,12 +48,16 @@ pre-build:
@${REINPLACE_CMD} -i '' -e ' \
s|$$(CPP) $$(CPPFLAGS)|$$(CPP) -P -traditional $$(CPPFLAGS)| ; \
s|LD *=.*|LD=${CC}| ; \
- s|LAPACK_LIBS *=.*|LAPACK_LIBS=-L${LOCALBASE}/lib -llapack -lblas|' \
+ s|LAPACK_LIBS *=.*|LAPACK_LIBS=-L${LOCALBASE}/lib -llapack| ; \
+ s|BLAS_LIBS *=.*|BLAS_LIBS=-L${LOCALBASE}/lib -lblas|' \
${WRKSRC}/make.inc
+post-install:
+ @${STRIP_CMD} ${STAGEDIR}${PREFIX}/bin/*.x
+
run-examples: build
.for c in PP PW PWCOND PHonon
@cd ${WRKSRC}/$c/examples && PREFIX=${STAGEDIR}${PREFIX} ./run_all_examples
.endfor
-.include <bsd.port.mk>
+.include <bsd.port.post.mk>
Modified: head/science/quantum-espresso/distinfo
==============================================================================
--- head/science/quantum-espresso/distinfo Mon Nov 16 03:52:30 2020 (r555448)
+++ head/science/quantum-espresso/distinfo Mon Nov 16 04:05:31 2020 (r555449)
@@ -1,3 +1,3 @@
-TIMESTAMP = 1577781248
-SHA256 (QEF-q-e-qe-6.5_GH0.tar.gz) = 258b2a8a6280e86dad779e5c56356d8b35dc96d12ff33dabeee914bc03d6d602
-SIZE (QEF-q-e-qe-6.5_GH0.tar.gz) = 81656121
+TIMESTAMP = 1605494137
+SHA256 (QEF-q-e-qe-6.6_GH0.tar.gz) = 924656cb083f52e5d2fe71ade05881389dac64b45316f1bdd6dee1c6170a672c
+SIZE (QEF-q-e-qe-6.6_GH0.tar.gz) = 77129279
Modified: head/science/quantum-espresso/pkg-plist
==============================================================================
--- head/science/quantum-espresso/pkg-plist Mon Nov 16 03:52:30 2020 (r555448)
+++ head/science/quantum-espresso/pkg-plist Mon Nov 16 04:05:31 2020 (r555449)
@@ -1,27 +1,18 @@
bin/alpha2f.x
bin/average.x
bin/bands.x
-bin/benchmark_libxc.x
bin/bse_main.x
-bin/casino2upf.x
bin/cell2ibrav.x
bin/cp.x
-bin/cpmd2upf.x
bin/cppp.x
bin/dos.x
+bin/dvscf_q2r.x
bin/dynmat.x
bin/epa.x
bin/epsilon.x
bin/ev.x
-bin/extract_core.x
-bin/fd.x
-bin/fd_ef.x
-bin/fd_ifc.x
bin/fermi_proj.x
bin/fermi_velocity.x
-bin/fhi2upf.x
-bin/fix_upf.x
-bin/fpmd2upf.x
bin/fqha.x
bin/fs.x
bin/gww.x
@@ -30,7 +21,6 @@ bin/head.x
bin/hp.x
bin/ibrav2cell.x
bin/initial_state.x
-bin/interpolate.x
bin/iotk.x
bin/iotk_print_kinds.x
bin/kpoints.x
@@ -40,9 +30,7 @@ bin/manycp.x
bin/matdyn.x
bin/molecularnexafs.x
bin/molecularpdos.x
-bin/ncpp2upf.x
bin/neb.x
-bin/oldcp2upf.x
bin/open_grid.x
bin/path_interpolation.x
bin/pawplot.x
@@ -53,6 +41,7 @@ bin/plotband.x
bin/plotproj.x
bin/plotrho.x
bin/pmw.x
+bin/postahc.x
bin/pp.x
bin/ppacf.x
bin/projwfc.x
@@ -66,10 +55,7 @@ bin/pwcond.x
bin/pwi2xsf.x
bin/q2qstar.x
bin/q2r.x
-bin/q2trans.x
-bin/q2trans_fd.x
-bin/read_upf_tofile.x
-bin/rrkj2upf.x
+bin/scan_ibrav.x
bin/simple.x
bin/simple_bse.x
bin/simple_ip.x
@@ -79,12 +65,11 @@ bin/turbo_davidson.x
bin/turbo_eels.x
bin/turbo_lanczos.x
bin/turbo_spectrum.x
-bin/upf2casino.x
-bin/uspp2upf.x
-bin/vdb2upf.x
+bin/upfconv.x
bin/virtual_v2.x
bin/wannier_ham.x
bin/wannier_plot.x
bin/wfck2r.x
bin/wfdd.x
+bin/xctest_qe_libxc.x
bin/xspectra.x
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