diff --git a/science/multiwfn/Makefile b/science/multiwfn/Makefile index c7e0470a16a4..35630a783446 100644 --- a/science/multiwfn/Makefile +++ b/science/multiwfn/Makefile @@ -1,59 +1,57 @@ PORTNAME= multiwfn DISTVERSIONPREFIX= v DISTVERSION= 3.8 PORTREVISION= 2 CATEGORIES= science MASTER_SITES= http://sobereva.com/multiwfn/misc/:main \ https://www.dislin.de/downloads/unix/:dislin DISTFILES= Multiwfn_${DISTVERSION}_dev_src_Linux.zip:main \ dislin-${DISLIN_VERSION}.fbsd.64.tar.gz:dislin # (!!!) dislin is a closed-source library distributed as binary, source code is sold for $$ MAINTAINER= yuri@FreeBSD.org COMMENT= Multifunctional wavefunction analysis for quantum chemistry WWW= http://sobereva.com/multiwfn/index.html LICENSE= GPLv2 ONLY_FOR_ARCHS= amd64 ONLY_FOR_ARCHS_REASON= dislin library is closed source for which binary is only available for amd64 LIB_DEPENDS= libblas.so:math/blas \ liblapack.so:math/lapack \ libopenblas.so:math/openblas RUN_DEPENDS= bash:shells/bash USES= gl gmake fortran motif xorg USE_GL= gl USE_XORG= x11 xt #USE_GITHUB= yes #GH_ACCOUNT= stecue #GH_PROJECT= gMultiwfn WRKSRC= ${WRKDIR}/Multiwfn_${DISTVERSION}_dev_src_Linux FCFLAGS+= -ffree-line-length-none LDFLAGS+= -lblas -llapack ALL_TARGET= default DISLIN_VERSION= 11.5 -MAKE_JOBS_UNSAFE= yes # fix build on quarterly (not latest) when mod_2f2.mod isn't found due to commands mis-order - BINARY_ALIAS= ifort=gfortran${GCC_DEFAULT} \ gcc=${CC} PLIST_FILES= bin/Multiwfn \ bin/Multiwfn_noGUI post-patch: # replace the dislin.a library with the FreeBSD version @${CP} \ ${WRKDIR}/dislin-${DISLIN_VERSION}/fbsd_64/lib/dislin_d-${DISLIN_VERSION}.a \ ${WRKSRC}/dislin_d-11.0.a do-install: ${INSTALL_PROGRAM} ${WRKSRC}/Multiwfn ${STAGEDIR}${PREFIX}/bin ${INSTALL_PROGRAM} ${WRKSRC}/Multiwfn_noGUI ${STAGEDIR}${PREFIX}/bin .include diff --git a/science/multiwfn/files/patch-Makefile b/science/multiwfn/files/patch-Makefile index 00ff10bae181..9c38fc1f94f2 100644 --- a/science/multiwfn/files/patch-Makefile +++ b/science/multiwfn/files/patch-Makefile @@ -1,46 +1,55 @@ --- Makefile.orig 2023-02-06 10:17:38 UTC +++ Makefile -@@ -1,6 +1,6 @@ +@@ -1,6 +1,6 @@ SIMD = -msse3 SIMD = -msse3 -OPT = -O2 -qopenmp -qopenmp-link=static -threads -qopt-matmul $(SIMD) -diag-disable 8290,8291,6371,10316,6178 -fpp -mkl -static-intel -DINTEL_MKL -OPT1 = -O1 -qopenmp -qopenmp-link=static -threads $(SIMD) -diag-disable 8290,8291,6371,10316,6178 -fpp -mkl -static-intel -DINTEL_MKL +OPT = $(FCFLAGS) -O2 $(SIMD) -DINTEL_MKL +OPT1 = $(FCFLAGS) -O1 $(SIMD) -DINTEL_MKL #Options in the next line is for debugging purpose #OPTDBG = -O0 -qopenmp -diag-disable 8290,8291,6371 -threads -qopenmp-link=static -debug all -g -traceback -check all -fstack-protector -fpp -mkl -static-intel -@@ -43,10 +43,10 @@ default : $(objects) +@@ -43,10 +43,10 @@ GUI: $(objects) @echo " ------------------------------------------------------ " GUI: $(objects) - $(FC) $(OPT) $(objects) $(LIB_GUI) -o $(EXE) + $(FC) $(LDFLAGS) $(OPT) $(objects) $(LIB_GUI) -o $(EXE) noGUI: $(objects) $(objects_noGUI) - $(FC) $(OPT) $(objects) $(objects_noGUI) $(LIB_noGUI) -o $(EXE_noGUI) + $(FC) $(LDFLAGS) $(OPT) $(objects) $(objects_noGUI) $(LIB_noGUI) -o $(EXE_noGUI) clean: rm -f $(EXE) *.o *.mod -@@ -230,7 +230,7 @@ cp2kmate.o : cp2kmate.f90 $(modules) +@@ -80,7 +80,7 @@ util.o : util.f90 define.o + util.o : util.f90 define.o + $(FC) $(OPT) -c util.f90 + +-function.o : function.f90 define.o util.o Bspline.o libreta.o ++function.o : function.f90 define.o util.o Bspline.o libreta.o 2F2.f90.o # add 2F2.f90.o to fix dependency problem when mod_2f2.mod isn't found + $(FC) $(OPT) -c function.f90 + + plot.o : plot.f90 define.o util.o +@@ -230,7 +230,7 @@ noGUI/dislin_d_empty.o : noGUI/dislin_d_empty.f90 noGUI/dislin_d_empty.o : noGUI/dislin_d_empty.f90 - $(FC) $(OPT) -c noGUI/dislin_d_empty.f90 -o noGUI/dislin_d_empty.o -diag-disable 6178,6843 + $(FC) $(OPT) -c noGUI/dislin_d_empty.f90 -o noGUI/dislin_d_empty.o # Interfaces of libreta-ESP to Multiwfn -@@ -241,10 +241,10 @@ libreta.o: ${LIBRETAPATH}/libreta.f90 hrr_012345.o blo +@@ -241,10 +241,10 @@ hrr_012345.o: ${LIBRETAPATH}/hrr_012345.f90 # Pure libreta files for ESP hrr_012345.o: ${LIBRETAPATH}/hrr_012345.f90 - $(FC) $(OPT) -diag-disable 6843 $(SIMD) -c ${LIBRETAPATH}/hrr_012345.f90 + $(FC) $(OPT) $(SIMD) -c ${LIBRETAPATH}/hrr_012345.f90 blockhrr_012345.o: ${LIBRETAPATH}/blockhrr_012345.f90 - $(FC) -O1 -diag-disable 6843 $(SIMD) -c ${LIBRETAPATH}/blockhrr_012345.f90 + $(FC) -O1 $(SIMD) -c ${LIBRETAPATH}/blockhrr_012345.f90 ean.o: ${LIBRETAPATH}/ean.f90 hrr_012345.o eanvrr_012345.o boysfunc.o ${LIBRETAPATH}/ean_data1.h ${LIBRETAPATH}/ean_data2.h $(FC) $(OPT) -c ${LIBRETAPATH}/ean.f90