Index: head/science/quantum-espresso/Makefile =================================================================== --- head/science/quantum-espresso/Makefile (revision 556925) +++ head/science/quantum-espresso/Makefile (revision 556926) @@ -1,63 +1,63 @@ # $FreeBSD$ PORTNAME= quantum-espresso DISTVERSIONPREFIX= qe- -DISTVERSION= 6.6 +DISTVERSION= 6.7.0 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| ; \ 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 Index: head/science/quantum-espresso/distinfo =================================================================== --- head/science/quantum-espresso/distinfo (revision 556925) +++ head/science/quantum-espresso/distinfo (revision 556926) @@ -1,3 +1,3 @@ -TIMESTAMP = 1605494137 -SHA256 (QEF-q-e-qe-6.6_GH0.tar.gz) = 924656cb083f52e5d2fe71ade05881389dac64b45316f1bdd6dee1c6170a672c -SIZE (QEF-q-e-qe-6.6_GH0.tar.gz) = 77129279 +TIMESTAMP = 1607020633 +SHA256 (QEF-q-e-qe-6.7.0_GH0.tar.gz) = 11364f931894555f296f176ca91757f9a8d510f8e5264ced60e82e11c6de725f +SIZE (QEF-q-e-qe-6.7.0_GH0.tar.gz) = 99527132 Index: head/science/quantum-espresso/files/patch-install_extlibs__makefile =================================================================== --- head/science/quantum-espresso/files/patch-install_extlibs__makefile (revision 556925) +++ head/science/quantum-espresso/files/patch-install_extlibs__makefile (revision 556926) @@ -1,15 +1,15 @@ ---- install/extlibs_makefile.orig 2018-07-18 09:59:27 UTC +--- install/extlibs_makefile.orig 2020-11-30 12:57:09 UTC +++ install/extlibs_makefile -@@ -62,12 +62,6 @@ fake_lapack_external : - -rm fake_liblapack.a +@@ -39,12 +39,6 @@ liblapack : liblapack_$(LAPACK_LIBS_SWITCH) + liblapack_external : liblapack_internal: - $(call download_and_unpack,$(LAPACK_NETLIB_NAME),$(LAPACK_NETLIB_URL),LAPACK,LAPACK) - if test ! -e ../LAPACK/liblapack.a && test -e make_lapack.inc; then \ - (cp make_lapack.inc ../LAPACK/make.inc; \ - cd ../LAPACK; $(MAKE) blaslib lapacklib); else \ - (echo "no configuration file found for lapack"; \ - echo "run configure from main QE dir"; exit); fi - - libiotk: - if test ! -d ../S3DE; then \ + lapack_clean: + if test -d ../LAPACK; then (cd ../LAPACK; $(MAKE) clean); fi + lapack_veryclean: Index: head/science/quantum-espresso/pkg-plist =================================================================== --- head/science/quantum-espresso/pkg-plist (revision 556925) +++ head/science/quantum-espresso/pkg-plist (revision 556926) @@ -1,75 +1,73 @@ bin/alpha2f.x bin/average.x bin/bands.x bin/bse_main.x bin/cell2ibrav.x bin/cp.x bin/cppp.x bin/dos.x bin/dvscf_q2r.x bin/dynmat.x bin/epa.x bin/epsilon.x bin/ev.x bin/fermi_proj.x bin/fermi_velocity.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/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/neb.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/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/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