From b1a856052f6b38d8e2896b327117e38434adf286 Mon Sep 17 00:00:00 2001 From: LAN-TW Date: Mon, 3 Jun 2013 20:15:33 +0800 Subject: yaehmop: 3.1.0b2 (initial commit) --- yaehmop/0001-Fix-build-problems.patch | 81 +++++++++++++++++++++++++++++++++++ yaehmop/PKGBUILD | 53 +++++++++++++++++++++++ 2 files changed, 134 insertions(+) create mode 100644 yaehmop/0001-Fix-build-problems.patch create mode 100644 yaehmop/PKGBUILD (limited to 'yaehmop') diff --git a/yaehmop/0001-Fix-build-problems.patch b/yaehmop/0001-Fix-build-problems.patch new file mode 100644 index 0000000..f528878 --- /dev/null +++ b/yaehmop/0001-Fix-build-problems.patch @@ -0,0 +1,81 @@ +From 6cfec39798d6c86e03c7fc5a8870111e1127e9c9 Mon Sep 17 00:00:00 2001 +From: LAN-TW +Date: Mon, 3 Jun 2013 20:08:51 +0800 +Subject: [PATCH] Fix build problems + +--- + tightbind/makefile.linux | 4 ++-- + tightbind/utils/makefile | 2 +- + viewkel/makefile.linux | 7 ++++--- + 3 files changed, 7 insertions(+), 6 deletions(-) + +diff --git a/tightbind/makefile.linux b/tightbind/makefile.linux +index 3158457..f9c0e5c 100755 +--- a/tightbind/makefile.linux ++++ b/tightbind/makefile.linux +@@ -25,7 +25,7 @@ F77FLAGS = -O + #A linux box w/o complib (using GNU compilers) + #LIBS = -lm -lf2c + LIBS = -lm +-LOCALLIBS = -L/usr/local/lib -llapack -lblas -lf2c ++LOCALLIBS = -L/usr/local/lib -llapack -lblas -lgfortran + + COBJS = main.o genutil.o fileio.o globals.o memory.o distance_mat.o \ + R_overlap_mat.o mov.o R_hamil.o K_hamil.o kpoints.o K_overlap_mat.o \ +@@ -65,7 +65,7 @@ veryclean: + cd utils;make clean + + .f.o: +- f77 $(F77FLAGS) -c $*.f ++ f95 $(F77FLAGS) -c $*.f + + .c.o: + cc $(CFLAGS) -c $*.c +diff --git a/tightbind/utils/makefile b/tightbind/utils/makefile +index 57ab7c7..afe103c 100755 +--- a/tightbind/utils/makefile ++++ b/tightbind/utils/makefile +@@ -1,7 +1,7 @@ + # to use floats instead of doubles, insert -DUSE_FLOATS here. + #CFLAGS = -g -I/usr/local/include/ + #CFLAGS = -32 -O -I/usr/local/include/ +-CFLAGS = -O -I/usr/local/include/ ++CFLAGS = -O -I/usr/local/include/ -DUSE_BZERO + + DOS_OBJS = fit_dos.o genutil.o + COOP_OBJS = fit_coop.o genutil.o +diff --git a/viewkel/makefile.linux b/viewkel/makefile.linux +index e67def4..4d9f8ec 100755 +--- a/viewkel/makefile.linux ++++ b/viewkel/makefile.linux +@@ -4,7 +4,8 @@ OBJS = main.o interface.o globals.o xstuff.o genutil.o stack.o manipulate.o \ + prop_graphs.o band_graphs.o walsh_graphs.o graphics.o tek_lib.o help.o \ + FMO_diags.o orbitals.o fit_orbs.o matrix_ops.o implicit_polyg.o \ + triangles.o 3D_objects.o enhpost.o cont_plots.o contour.o labels.o \ +- MO_conts.o vibrations.o valence.o polyhed.o chull.o mem_debug.o ++ MO_conts.o vibrations.o valence.o polyhed.o chull.o mem_debug.o \ ++ viewkelutil.c solid_calcs.c + + + +@@ -13,7 +14,7 @@ OBJS = main.o interface.o globals.o xstuff.o genutil.o stack.o manipulate.o \ + #PARM_FILE_LOC = \"/usr/local/src/yaehmop/viewkel/atomic_parms.dat\" + #PARM_FILE_LOC = \"/home/landrum/yaehmop/viewkel/atomic_parms.dat\" + #PARM_FILE_LOC = \"/usr/local/lib/atomic_parms.dat\" +-PARM_FILE_LOC = \"/users/landrum/yaehmop/viewkel/new_atomic_parms.dat\" ++PARM_FILE_LOC = \"/usr/share/yaehmop/viewkel/new_atomic_parms.dat\" + + # these are things you can turn on or off to make yourself happy. + OPT_FEATURES = -DTEK_GRAPHICS -DX_GRAPHICS -DINTERACTIVE_USE \ +@@ -24,7 +25,7 @@ OPT_FEATURES = -DTEK_GRAPHICS -DX_GRAPHICS -DINTERACTIVE_USE \ + CFLAGS = -g -O -DHIGHPREC -DPARM_FILE=$(PARM_FILE_LOC) $(OPT_FEATURES)\ + -D_POSIX_SOURCE -DUSE_READLINE + +-LDFLAGS = -L/usr/X11R6/lib -L/usr/local/lib -lreadline -lhistory -L/usr/lib/termcap -ltermcap ++LDFLAGS = -L/usr/local/lib -lreadline -lhistory + + CC = cc + +-- +1.8.3 + diff --git a/yaehmop/PKGBUILD b/yaehmop/PKGBUILD new file mode 100644 index 0000000..8d467cc --- /dev/null +++ b/yaehmop/PKGBUILD @@ -0,0 +1,53 @@ +# Maintainer: lantw44 (at) gmail (dot) com +# http://codepad.org/XEk6PJYc + +pkgname=yaehmop +pkgver=3.1.0b2 +pkgrel=1 +pkgdesc="Yet Another extended Huckel Molecular Orbital Package" +arch=('x86_64' 'i686') +url="http://yaehmop.sourceforge.net/" +license=('GPL') +depends=('gcc-fortran' 'readline' 'libx11' 'blas' 'lapack') + +source=('http://downloads.sourceforge.net/project/yaehmop/yaehmop-beta/3.1.0b2/bind.3.1.0b2.tgz' + 'http://downloads.sourceforge.net/project/yaehmop/yaehmop-beta/3.1.0b2/viewkel.3.1.0b.tgz' + 'http://downloads.sourceforge.net/project/yaehmop/yaehmop-beta/3.1.0b2/dense_eval.3.1.0b.tgz' + '0001-Fix-build-problems.patch') + +md5sums=('5a717a1f9c5dbe6cf36de15cb3c5b6ef' + 'd629bface0f610f7a4a1b3d0305872ca' + 'aec78fae520950777b7738cf42626d99' + '4290dcf6a1ddb040c38dbb54d8698c5b') + +build() { + cd "${srcdir}/${pkgname}" + mv ../viewkel ./ + mv ../dense_eval viewkel/ + mkdir bin + rm -f tightbind/bind + rm -f tightbind/utils/fit_coop + rm -f tightbind/utils/fit_coop.o + rm -f tightbind/utils/fit_dos + rm -f tightbind/utils/fit_dos.o + rm -f tightbind/utils/genutil.o + patch -p1 < ../../0001-Fix-build-problems.patch + cd tightbind + make -f makefile.linux install + cd ../viewkel + make -f makefile.linux + make -f makefile.linux install + make liborbitals.a + make libsolids.a + make libgenutils.a + cd dense_eval + make + cp -p dense_eval ../../bin +} + +package() { + mkdir -p "${pkgdir}/usr/share/${pkgname}/viewkel" + cp -rp "${srcdir}/${pkgname}/bin" "${pkgdir}/usr/" + install -m 644 "${srcdir}/${pkgname}/viewkel/new_atomic_parms.dat" \ + "${pkgdir}/usr/share/${pkgname}/viewkel" +} -- cgit