Date: Mon, 3 Sep 2018 04:09:00 +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: r478841 - in head/science: . wannier90 wannier90/files Message-ID: <201809030409.w83490v4049527@repo.freebsd.org>
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Author: yuri Date: Mon Sep 3 04:09:00 2018 New Revision: 478841 URL: https://svnweb.freebsd.org/changeset/ports/478841 Log: New port: science/wannier90: Maximally-localized Wannier functions (MLWFs) and Wannier90 Added: head/science/wannier90/ head/science/wannier90/Makefile (contents, props changed) head/science/wannier90/distinfo (contents, props changed) head/science/wannier90/files/ head/science/wannier90/files/patch-src_Makefile.2 (contents, props changed) head/science/wannier90/pkg-descr (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Mon Sep 3 02:52:34 2018 (r478840) +++ head/science/Makefile Mon Sep 3 04:09:00 2018 (r478841) @@ -263,6 +263,7 @@ SUBDIR += v_sim SUBDIR += vmd SUBDIR += voro++ + SUBDIR += wannier90 SUBDIR += xcrysden SUBDIR += xdrawchem SUBDIR += xfce4-equake-plugin Added: head/science/wannier90/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/wannier90/Makefile Mon Sep 3 04:09:00 2018 (r478841) @@ -0,0 +1,37 @@ +# $FreeBSD$ + +PORTNAME= wannier90 +DISTVERSION= 2.1.0 +CATEGORIES= science +MASTER_SITES= http://www.wannier.org/code/ + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Maximally-localized Wannier functions (MLWFs) and Wannier90 + +LICENSE= GPLv2 +LICENSE_FILE= ${WRKSRC}/LICENSE + +LIB_DEPENDS= libblas.so:math/blas \ + liblapack.so:math/lapack + +USES= fortran gmake +USE_LDCONFIG= yes + +MAKE_ARGS= FCOPTS="-fPIC -O3" + +PLIST_FILES= bin/postw90.x \ + bin/w90chk2chk.x \ + bin/wannier90.x \ + lib/libwannier.so + +post-patch: + @${REINPLACE_CMD} 's|F90 = gfortran|&${GCC_DEFAULT}|' ${WRKSRC}/config/make.inc.gfort + @${RLN} ${WRKSRC}/config/make.inc.gfort ${WRKSRC}/make.inc + +do-install: +.for p in wannier90.x postw90.x w90chk2chk.x + ${INSTALL_PROGRAM} ${WRKSRC}/${p} ${STAGEDIR}${PREFIX}/bin/${p} +.endfor + ${INSTALL_LIB} ${WRKSRC}/libwannier.so ${STAGEDIR}${PREFIX}/lib + +.include <bsd.port.mk> Added: head/science/wannier90/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/wannier90/distinfo Mon Sep 3 04:09:00 2018 (r478841) @@ -0,0 +1,3 @@ +TIMESTAMP = 1535941251 +SHA256 (wannier90-2.1.0.tar.gz) = ee90108d4bc4aa6a1cf16d72abebcb3087cf6c1007d22dda269eb7e7076bddca +SIZE (wannier90-2.1.0.tar.gz) = 57264711 Added: head/science/wannier90/files/patch-src_Makefile.2 ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/wannier90/files/patch-src_Makefile.2 Mon Sep 3 04:09:00 2018 (r478841) @@ -0,0 +1,20 @@ +--- src/Makefile.2.orig 2017-01-11 22:15:31 UTC ++++ src/Makefile.2 +@@ -12,7 +12,7 @@ OBJS2 = wannier_lib.o + OBJS_POST = ws_distance.o parameters.o kmesh.o io.o comms.o utility.o get_oper.o constants.o \ + postw90_common.o wan_ham.o spin.o dos.o berry.o kpath.o kslice.o boltzwann.o geninterp.o + +-LIBRARY = ../../libwannier.a ++LIBRARY = ../../libwannier.so + + POSTDIR = ../postw90/ + +@@ -74,7 +74,7 @@ endif + libs: $(LIBRARY) + + $(LIBRARY): $(OBJS) $(OBJS2) +- $(AR) $(ARFLAGS) $(LIBRARY) $(OBJS2) $(OBJS) ++ $(CC) $(LDFLAGS) -shared -o $(LIBRARY) -Wl,-soname,libwannier.so $(OBJS2) $(OBJS) + + clean: + rm -f *.o *.mod *.MOD *.obj Added: head/science/wannier90/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/wannier90/pkg-descr Mon Sep 3 04:09:00 2018 (r478841) @@ -0,0 +1,4 @@ +The computer program that calculates maximally-localized Wannier functions +(MLWFs) and Wannier90 for quantum chemistry and physics fields. + +WWW: http://www.wannier.org/
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