svn commit: r478841 - in head/science: . wannier90 wannier90/files
Yuri Victorovich
yuri at FreeBSD.org
Mon Sep 3 04:09:02 UTC 2018
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 at 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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