Date: Mon, 16 Nov 2020 04:05:31 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r555449 - head/science/quantum-espresso Message-ID: <202011160405.0AG45Va8004579@repo.freebsd.org>
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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@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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