diff --git a/science/quantum-espresso/Makefile b/science/quantum-espresso/Makefile index 4497cb2b502d..615d5f18cc5b 100644 --- a/science/quantum-espresso/Makefile +++ b/science/quantum-espresso/Makefile @@ -1,51 +1,50 @@ # $FreeBSD$ PORTNAME= quantum-espresso DISTVERSIONPREFIX= qe- -DISTVERSION= 6.3 -PORTREVISION= 5 +DISTVERSION= 6.4 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= Package for research in electronic structure, simulation, optimization LICENSE= GPLv2 LICENSE_FILE= ${WRKSRC}/License BUILD_DEPENDS= fox-xml>0:textproc/fox-xml \ bash:shells/bash LIB_DEPENDS= libmpich.so:net/mpich \ libblas.so:math/blas \ liblapack.so:math/lapack USES= fortran gmake python shebangfix -SHEBANG_FILES= configure PW/tools/cell2ibrav.py +SHEBANG_FILES= configure GNU_CONFIGURE= yes USE_GITHUB= yes GH_ACCOUNT= QEF GH_PROJECT= q-e MAKE_ARGS= TOPDIR=${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 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|' \ ${WRKSRC}/make.inc run-examples: build .for c in PP PW PWCOND PHonon @cd ${WRKSRC}/$c/examples && PREFIX=${STAGEDIR}${PREFIX} ./run_all_examples .endfor .include diff --git a/science/quantum-espresso/distinfo b/science/quantum-espresso/distinfo index 0e6fcf93f8c9..98a576ad3e1e 100644 --- a/science/quantum-espresso/distinfo +++ b/science/quantum-espresso/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1542825256 -SHA256 (QEF-q-e-qe-6.3_GH0.tar.gz) = 4067c8fffa957aabbd5cf2439e2fcb6cf3752325393c67a17d99fd09edf8689c -SIZE (QEF-q-e-qe-6.3_GH0.tar.gz) = 86418701 +TIMESTAMP = 1551838190 +SHA256 (QEF-q-e-qe-6.4_GH0.tar.gz) = 781366d03da75516fdcf9100a1caadb26ccdd1dedd942a6f8595ff0edca74bfe +SIZE (QEF-q-e-qe-6.4_GH0.tar.gz) = 83097382 diff --git a/science/quantum-espresso/files/patch-Makefile b/science/quantum-espresso/files/patch-Makefile index f2c2f53b3d84..e66e268f3dbb 100644 --- a/science/quantum-espresso/files/patch-Makefile +++ b/science/quantum-espresso/files/patch-Makefile @@ -1,23 +1,16 @@ ---- Makefile.orig 2018-07-19 01:55:24 UTC +--- Makefile.orig 2019-03-06 02:33:55 UTC +++ Makefile -@@ -264,11 +264,11 @@ links : bindir - ######################################################### +@@ -296,10 +296,10 @@ links : bindir + ############################################################# install : -- @if test -d bin ; then mkdir -p $(PREFIX)/bin ; \ -+ @if test -d bin ; then mkdir -p $(DESTDIR)$(PREFIX)/bin ; \ +- mkdir -p $(PREFIX)/bin ; \ ++ mkdir -p $(DESTDIR)$(PREFIX)/bin ; \ for x in `find * ! -path "test-suite/*" -name *.x -type f` ; do \ -- cp $$x $(PREFIX)/bin/ ; done ; \ -+ cp $$x $(DESTDIR)$(PREFIX)/bin/ ; done ; \ - fi -- @echo 'Quantum ESPRESSO binaries installed in $(PREFIX)/bin' -+ @echo 'Quantum ESPRESSO binaries installed in $(DESTDIR)$(PREFIX)/bin' +- cp -v $$x $(PREFIX)/bin/ ; done +- @echo -e '\nQuantum ESPRESSO binaries are installed in $(PREFIX)/bin\n' ++ cp -v $$x $(DESTDIR)$(PREFIX)/bin/ ; done ++ @echo -e '\nQuantum ESPRESSO binaries are installed in $(DESTDIR)$(PREFIX)/bin\n' ######################################################### # Run test-suite for numerical regression testing -@@ -376,3 +376,5 @@ doc_clean : - depend: libiotk - @echo 'Checking dependencies...' - - ( if test -x install/makedeps.sh ; then install/makedeps.sh ; fi) -+ -+.PHONY: install diff --git a/science/quantum-espresso/pkg-plist b/science/quantum-espresso/pkg-plist index 84ba63d7de3b..9624f00b4cc1 100644 --- a/science/quantum-espresso/pkg-plist +++ b/science/quantum-espresso/pkg-plist @@ -1,89 +1,89 @@ bin/alpha2f.x bin/average.x bin/bands.x -bin/bgw2pw.x bin/bse_main.x bin/casino2upf.x +bin/cell2ibrav.x bin/cp.x bin/cpmd2upf.x -bin/cppp.x bin/dos.x bin/dynmat.x bin/epa.x bin/epsilon.x bin/ev.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/generate_rVV10_kernel_table.x bin/generate_vdW_kernel_table.x bin/gww.x bin/gww_fit.x bin/head.x +bin/hp.x bin/ibrav2cell.x -bin/importexport_binary.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/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/pw_export.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/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/virtual.x +bin/virtual_v2.x bin/wannier_ham.x bin/wannier_plot.x bin/wfck2r.x bin/wfdd.x bin/xspectra.x