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-rw-r--r--science/gamess/files/patch-lked288
1 files changed, 0 insertions, 288 deletions
diff --git a/science/gamess/files/patch-lked b/science/gamess/files/patch-lked
deleted file mode 100644
index e9075b2fc12d..000000000000
--- a/science/gamess/files/patch-lked
+++ /dev/null
@@ -1,288 +0,0 @@
---- lked.orig 2012-10-27 01:12:07.000000000 +0900
-+++ lked 2013-02-27 16:06:32.000000000 +0900
-@@ -57,6 +57,8 @@
- set VB2000=false
- if ($TARGET == linux64) set VB2000=true
- if ($TARGET == linux32) set VB2000=true
-+if ($TARGET == freebsd64) set VB2000=true
-+if ($TARGET == freebsd32) set VB2000=true
- if ($TARGET == mac64) set VB2000=true
- set XMVB=false
- #
-@@ -632,6 +634,243 @@
- endif
- #
- endif
-+
-+if ($TARGET == freebsd32) then
-+ set VECTOR=' '
-+ set QUICHE='zunix.o'
-+#
-+# settings which depend on the compiler choice:
-+#
-+ switch ($GMS_FORTRAN)
-+ case g77:
-+ set LDR='g77'
-+ set LDOPTS=' ' # add '-Wl,-M' to see load map
-+ set FORTLIBS=' '
-+ breaksw
-+ case gfortran:
-+ set LDR=%%FC%%
-+ set LDOPTS=' '
-+ set FORTLIBS=' '
-+ breaksw
-+ case ifort:
-+ set LDR='ifort'
-+ set LDOPTS=' ' # add '-Wl,-M' to see load map
-+ set FORTLIBS='-Vaxlib'
-+ breaksw
-+ case f2c:
-+ set LDR='gcc'
-+ set LDOPTS=' '
-+ set FORTLIBS='-lf2c -lm'
-+ breaksw
-+ default:
-+ echo Please spell your freebsd32 compiler correctly.
-+ exit 4
-+ endsw
-+#
-+# settings which depend on the math library: mkl, atlas, acml, none
-+#
-+ switch ($GMS_MATHLIB)
-+
-+# for MKL, we lack experience. The following is the 64-bit
-+# stuff, with all 64's removed. It might be right!
-+# For the case of "11", this has actually been verified.
-+ case mkl:
-+ set mpath=$GMS_MATHLIB_PATH
-+ switch ($GMS_MKL_VERNO)
-+ case 8:
-+ set MATHLIBS="-L$mpath -lmkl_lapack -lmkl -lguide -lpthread"
-+ breaksw
-+ case 9:
-+ set MATHLIBS="-L$mpath -lmkl_lapack -lmkl -lguide -lpthread"
-+ breaksw
-+ case 10:
-+ # next one forces single-threaded usage only...exactly what we want.
-+ set MATHLIBS="-L$mpath -lmkl_intel -lmkl_sequential -lmkl_core"
-+ breaksw
-+ case 11:
-+ case 12:
-+ # next attempts a static link, whereas 10 above is a dynamic link.
-+ # if this fails to work, try the version 10 lines shown just above.
-+ set MATHLIBS="$mpath/libmkl_intel.a"
-+ set MATHLIBS="$MATHLIBS $mpath/libmkl_sequential.a"
-+ set MATHLIBS="$MATHLIBS $mpath/libmkl_core.a"
-+ breaksw
-+ default:
-+ echo "unknown version number for MKL/linux32"
-+ echo "please edit 'lked' to select the right 32 bit MKL libraries."
-+ exit
-+ breaksw
-+ endsw
-+ set BLAS=' '
-+ breaksw
-+
-+ case atlas:
-+ # If the ATLAS comes with static libraries, link to them,
-+ # so that only the compile node has to have the libraries.
-+ # Otherwise, attempt a link against shared object libs.
-+ # See the 64 bit Atlas below for a way to fix the linker's
-+ # not being able to locate -lf77blas, if that happens.
-+ if (-e $GMS_MATHLIB_PATH/libf77blas.a) then
-+ set MATHLIBS="$GMS_MATHLIB_PATH/libf77blas.a"
-+ set MATHLIBS="$MATHLIBS $GMS_MATHLIB_PATH/libatlas.a"
-+ else
-+ set MATHLIBS="-L$GMS_MATHLIB_PATH -lf77blas -latlas"
-+ endif
-+ set BLAS=' '
-+ breaksw
-+
-+ case acml:
-+ # do a static link so that only compile node needs to install ACML
-+ set MATHLIBS="$GMS_MATHLIB_PATH/libacml.a"
-+ set BLAS=' '
-+ breaksw
-+
-+ case none:
-+ default:
-+ echo "Warning. No math library was found, you should install one."
-+ echo " MP2 calculations speed up about 2x with a math library."
-+ echo "CCSD(T) calculations speed up about 5x with a math library."
-+ set BLAS='%%BLAS%% %%LAPACK%%'
-+ set MATHLIBS=' '
-+ breaksw
-+ endsw
-+#
-+ set LIBRARIES="$FORTLIBS $MATHLIBS"
-+endif
-+#
-+# ------ FreeBSD on 64 bit chips -----
-+#
-+if ($TARGET == freebsd64) then
-+ set VECTOR=' '
-+ set QUICHE='zunix.o'
-+#
-+# settings which depend on the FORTRAN:
-+#
-+ switch ($GMS_FORTRAN)
-+ case gfortran:
-+ set LDR=%%FC%%
-+ set LDOPTS=' '
-+ set FORTLIBS=' '
-+ breaksw
-+ case ifort:
-+ set LDR='ifort'
-+ set LDOPTS='-i8' # -Wl,-M generates a load map
-+# this auxiliary library seems to have disappeared in ifort 10
-+ set FORTLIBS=' '
-+ if($GMS_IFORT_VERNO < 10) set FORTLIBS='-Vaxlib'
-+ breaksw
-+ default:
-+ echo "don't know how to use a freebsd64 compiler named $GMS_FORTRAN"
-+ exit 4
-+ breaksw
-+ endsw
-+#
-+# settings which depend on the math library: mkl, atlas, acml, none
-+#
-+ switch ($GMS_MATHLIB)
-+
-+ case mkl:
-+ set mpath=$GMS_MATHLIB_PATH
-+ set mklver=$GMS_MKL_VERNO
-+ if ($CCHEM == true) set mklver=${mklver}-so
-+ switch ($mklver)
-+ case 8:
-+ set MATHLIBS="-L$mpath -lmkl_lapack64 -lmkl -lguide -lpthread"
-+ breaksw
-+ case 9:
-+ set MATHLIBS="-L$mpath -lmkl_lapack -lmkl -lguide -lpthread"
-+ breaksw
-+ breaksw
-+ case 10:
-+ case 11:
-+ case 12:
-+ # next are a static link, in single-threaded mode (serial BLAS).
-+ # The choices preclude any need to
-+ # a) install .so shared object libraries on every node,
-+ # b) define LD_LIBRARY_PATH to find the .so libraries, or
-+ # c) define MKL_NUM_THREADS=1
-+ # If desired, there is a single-threaded shared object link below.
-+ # Note, there's now a gfortran-specific compiler interface library.
-+ set iflib=intel
-+ if ($GMS_FORTRAN == gfortran) set iflib=gf
-+ set MATHLIBS=" $mpath/libmkl_${iflib}_ilp64.a"
-+ set MATHLIBS="$MATHLIBS $mpath/libmkl_sequential.a"
-+ set MATHLIBS="$MATHLIBS $mpath/libmkl_core.a"
-+ breaksw
-+ case 10-so:
-+ case 11-so:
-+ case 12-so:
-+ # next one chooses dynamic linking (so= shared object libs)
-+ # Just hand edit GMS_MKL_VERNO in your 'install.info' to use this.
-+ # run-time libs (and LD_LIBRARY_PATH) needed on every compute node!
-+ # note that it does force single-threaded usage.
-+ # LIBCCHEM fails to link properly against static libraries.
-+ # LIBCCHEM prefers to use threading
-+ set iflib=intel
-+ if ($GMS_FORTRAN == gfortran) set iflib=gf
-+ if ($CCHEM == false) then
-+ set MATHLIBS="-L$mpath -lmkl_${iflib}_ilp64 -lmkl_sequential -lmkl_core"
-+ else
-+ set MATHLIBS="-L$mpath -lmkl_${iflib}_ilp64 -lmkl_${iflib}_thread -lmkl_core -liomp5"
-+ endif
-+ breaksw
-+ default:
-+ echo "unknown version number for MKL/linux64"
-+ echo "please edit 'lked' to select the right 64 bit MKL libraries."
-+ exit
-+ breaksw
-+ endsw
-+ set BLAS=' '
-+ breaksw
-+
-+ case atlas:
-+ # If the ATLAS comes with static libraries, link to them,
-+ # so that only the compile node has to have the libraries.
-+ # Otherwise, attempt a link against shared object libs.
-+ #
-+ # Some versions of Atlas come without proper setup to use them.
-+ # For example, you may need to give some specific version such
-+ # as 3.0 some generic names, by doing the right soft links:
-+ # chdir /usr/lib64/atlas (just 'lib' for linux32)
-+ # ln -s libatlas.so.3.0 libatlas.so
-+ # ln -s libblas.so.3.0 libblas.so
-+ # ln -s libcblas.so.3.0 libcblas.so
-+ # ln -s libf77blas.so.3.0 libf77blas.so
-+ # ln -s liblapack_atlas.so.3.0 liblapack.so
-+ # ln -s liblapack.so.3.0 liblapack.so
-+ # It is strange the RPM's don't do these soft links for us.
-+ if (-e $GMS_MATHLIB_PATH/libf77blas.a) then
-+ set MATHLIBS="$GMS_MATHLIB_PATH/libf77blas.a"
-+ set MATHLIBS="$MATHLIBS $GMS_MATHLIB_PATH/libatlas.a"
-+ else
-+ set MATHLIBS="-L$GMS_MATHLIB_PATH -lf77blas -latlas"
-+ endif
-+ set BLAS=' '
-+ breaksw
-+
-+ case acml:
-+ # do a static link so that only compile node needs to install ACML
-+ set MATHLIBS="$GMS_MATHLIB_PATH/libacml.a"
-+ # if you want to try a dynamic link, use this:
-+ #---set MATHLIBS="-L$GMS_MATHLIB_PATH -lacml -lacml_mv"
-+ set BLAS=' '
-+ breaksw
-+
-+ case none:
-+ default:
-+ echo "Warning. No math library was found, you should install one."
-+ echo " MP2 calculations speed up about 2x with a math library."
-+ echo "CCSD(T) calculations speed up about 5x with a math library."
-+ set BLAS='%%BLAS%% %%LAPACK%%'
-+ set MATHLIBS=' '
-+ breaksw
-+ endsw
-+#
-+ set LIBRARIES="$FORTLIBS $MATHLIBS"
-+endif
-+#
-+endif
-+
- #
- # MacIntosh
- #
-@@ -675,6 +914,23 @@
- set VECTOR=' '
- set QUICHE='zunix.o'
- endif
-+#FreeBSD settings
-+if ($TARGET == freebsd32) then
-+ set LDR=%%FC%%
-+ set LDOPTS='%%LDFLAGS%%'
-+ set LIBRARIES=''
-+ set BLAS="-L%%LOCALBASE%%/lib %%BLAS%% %%LIBSVM%% %%LIBG2C%%"
-+ set VECTOR=' '
-+ set QUICHE='zunix.o'
-+endif
-+if ($TARGET == freebsd64) then
-+ set LDR=%%FC%%
-+ set LDOPTS='%%LDFLAGS%%'
-+ set LIBRARIES=''
-+ set BLAS="-L%%LOCALBASE%%/lib %%BLAS%%"
-+ set VECTOR=' '
-+ set QUICHE='zunix.o'
-+endif
- #
- if ($TARGET == necsx) then
- set LDR='f90'
-@@ -1199,6 +1199,8 @@
- case ibm64:
- case linux32:
- case linux64:
-+ case freebsd32:
-+ case freebsd64:
- case mac32:
- case mac64:
- case sgi32:
generated by cgit v1.2.3 (git 2.25.1) at 2025-09-07 10:43:12 +0000