Index: head/science/quantum-espresso/Makefile =================================================================== --- head/science/quantum-espresso/Makefile (revision 555448) +++ head/science/quantum-espresso/Makefile (revision 555449) @@ -1,53 +1,63 @@ # $FreeBSD$ PORTNAME= quantum-espresso DISTVERSIONPREFIX= qe- -DISTVERSION= 6.5 +DISTVERSION= 6.6 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= Package for research in electronic structure, simulation, optimization LICENSE= GPLv2 LICENSE_FILE= ${WRKSRC}/License BROKEN_armv6= fails to build: gfortran8: error: iotk_base_tmp.f90: No such file or directory BROKEN_armv7= fails to build: gfortran8: error: iotk_base_tmp.f90: No such file or directory BUILD_DEPENDS= fox-xml>0:textproc/fox-xml \ bash:shells/bash LIB_DEPENDS= libmpich.so:net/mpich \ libblas.so:math/blas \ liblapack.so:math/lapack USES= fortran gmake python shebangfix SHEBANG_FILES= configure GNU_CONFIGURE= yes USE_GITHUB= yes GH_ACCOUNT= QEF GH_PROJECT= q-e MAKE_ARGS= TOPDIR=${WRKSRC} BINARY_ALIAS= make=gmake cpp=/usr/local/bin/cpp${GCC_DEFAULT} FFLAGS+= -x f95-cpp-input LDFLAGS+= ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgfortran.so -lm MAKE_JOBS_UNSAFE= yes # https://github.com/QEF/q-e/issues/9 +.include + +. 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 ${LOCALBASE}/include FoX/finclude pre-build: @${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 +.include Index: head/science/quantum-espresso/distinfo =================================================================== --- head/science/quantum-espresso/distinfo (revision 555448) +++ head/science/quantum-espresso/distinfo (revision 555449) @@ -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 Index: head/science/quantum-espresso/pkg-plist =================================================================== --- head/science/quantum-espresso/pkg-plist (revision 555448) +++ head/science/quantum-espresso/pkg-plist (revision 555449) @@ -1,90 +1,75 @@ 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 bin/gww_fit.x 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 bin/lambda.x bin/ld1.x 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 bin/ph.x bin/phcg.x bin/plan_avg.x bin/plotband.x bin/plotproj.x bin/plotrho.x bin/pmw.x +bin/postahc.x bin/pp.x bin/ppacf.x bin/projwfc.x bin/pw.x bin/pw2bgw.x bin/pw2critic.x bin/pw2gw.x bin/pw2wannier90.x bin/pw4gww.x 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 bin/spectra_correction.x bin/sumpdos.x 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