diff options
| -rw-r--r-- | sci-chemistry/gamess/ChangeLog | 11 | ||||
| -rw-r--r-- | sci-chemistry/gamess/files/gamess-20060907.4.gentoo.patch | 221 | ||||
| -rw-r--r-- | sci-chemistry/gamess/files/gamess-20070324.1.gentoo.patch | 222 | ||||
| -rw-r--r-- | sci-chemistry/gamess/files/gamess-20080411.1.gentoo.patch | 339 | ||||
| -rw-r--r-- | sci-chemistry/gamess/gamess-20060907.4.ebuild | 214 | ||||
| -rw-r--r-- | sci-chemistry/gamess/gamess-20080411.1.ebuild (renamed from sci-chemistry/gamess/gamess-20070324.1.ebuild) | 39 |
6 files changed, 370 insertions, 676 deletions
diff --git a/sci-chemistry/gamess/ChangeLog b/sci-chemistry/gamess/ChangeLog index a8bcb44208ae..fbb8d00708b4 100644 --- a/sci-chemistry/gamess/ChangeLog +++ b/sci-chemistry/gamess/ChangeLog @@ -1,6 +1,15 @@ # ChangeLog for sci-chemistry/gamess # Copyright 1999-2008 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.24 2008/03/18 21:35:53 markusle Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/ChangeLog,v 1.25 2008/05/08 17:42:47 markusle Exp $ + +*gamess-20080411.1 (08 May 2008) + + 08 May 2008; Markus Dittrich <markusle@gentoo.org> + -files/gamess-20060907.4.gentoo.patch, + -files/gamess-20070324.1.gentoo.patch, + +files/gamess-20080411.1.gentoo.patch, -gamess-20060907.4.ebuild, + -gamess-20070324.1.ebuild, +gamess-20080411.1.ebuild: + Version bump (fixes bug #220855). *gamess-20070324.6 (18 Mar 2008) diff --git a/sci-chemistry/gamess/files/gamess-20060907.4.gentoo.patch b/sci-chemistry/gamess/files/gamess-20060907.4.gentoo.patch deleted file mode 100644 index 746f778de006..000000000000 --- a/sci-chemistry/gamess/files/gamess-20060907.4.gentoo.patch +++ /dev/null @@ -1,221 +0,0 @@ -diff -Naur gamess/comp gamess-new/comp ---- gamess/comp 2006-11-06 10:17:54.000000000 -0500 -+++ gamess-new/comp 2006-12-13 18:06:06.000000000 -0500 -@@ -11,8 +11,8 @@ - # linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64 - # 2. Choose your GAMESS directory tree. - # --set TARGET=ibm64 --chdir /u1/mike/gamess -+set TARGET=linux-pc -+#chdir /u1/mike/gamess - # - # ---- and now the script begins... - # -@@ -300,6 +300,7 @@ - if ($MODULE == neomp2) set NEOCMP=true - if ($MODULE == neosym) set NEOCMP=true - if ($MODULE == neotrn) set NEOCMP=true -+if ($MODULE == neopos) set NEOCMP=true - if ($NEOCMP == true && $ACTONLY != true) set SRCDIR=qmnuc/neo - # - # ----- Does this module need to be activated? ----- -@@ -701,7 +702,7 @@ - switch ($FORTRAN) - - case gfortran: -- set OPT='-O2' -+ set gentoo-OPT = '-O2' - if ($MODULE == zheev) set OPT='-O0' # defensive compiling - if (($MODULE == qeigen) || ($MODULE == int2c)) then - mv $MODULE.f $MODULE.junk -@@ -1148,7 +1149,7 @@ - # The only thing you need to change is the next line. - # Note: you must make the analogous choice in compddi and lked, as well. - # -- set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c -+ set FORTRAN=gentoo-g77 # choose from g77, gfortran, ifort, pgf77, f2c - # - switch ($FORTRAN) - # -@@ -1167,7 +1168,7 @@ - # Pentium II fractionally). None of these optimizations are used below. - # - case g77: -- set OPT = '-O2' -+ set gentoo-OPT = '-O2' - if ($MODULE == ormas1) set OPT='-O2 -fno-move-all-movables' # RH9, g77 3.3 - if ($MODULE == zheev) set OPT='-O0' # defensive compiling - # -@@ -1203,7 +1204,7 @@ - # -std=legacy suppresses warnings about use of f77 constructs. - # - case gfortran: -- set OPT='-O2' -+ set gentoo-OPT = '-O2' - if ($MODULE == zheev) set OPT='-O0' # defensive compiling - if (($MODULE == qeigen) || ($MODULE == int2c)) then - mv $MODULE.f $MODULE.junk -@@ -1230,7 +1231,7 @@ - # but that may cause certain ifort versions to fail on some files. - # - case ifort: -- set OPT = '-O3' -+ set gentoo-OPT = '-O2' - if ($MODULE == delocl) set OPT='-O0' # from Cheol - if ($MODULE == zheev) set OPT='-O0' - set echo -diff -Naur gamess/compall gamess-new/compall ---- gamess/compall 2006-11-19 18:02:49.000000000 -0500 -+++ gamess-new/compall 2006-12-13 09:13:42.000000000 -0500 -@@ -12,8 +12,8 @@ - # linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64 - # 2. Choose your GAMESS directory tree. - # --set TARGET=ibm64 --chdir /u1/mike/gamess -+set TARGET=linux-pc -+#chdir /u1/mike/gamess - # - # ----- and now the script begins... - # -diff -Naur gamess/ddi/compddi gamess-new/ddi/compddi ---- gamess/ddi/compddi 2006-08-30 09:34:15.000000000 -0400 -+++ gamess-new/ddi/compddi 2006-12-13 09:14:23.000000000 -0500 -@@ -14,7 +14,7 @@ - # fuji-pp32,fuji-pp64,hpux32,hpux64,ibm32,ibm64,ibm64-sp,ibm-bg, - # linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64 - # -- set TARGET = ibm64 -+ set TARGET = linux-pc - - # 2. Choose DDI communication layer, the only legal values are - # sockets,mixed,mpi,shmem,lapi -@@ -488,9 +488,9 @@ - # - if($TARGET == linux-pc) then - -- set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c -+ set FORTRAN=gentoo-g77 # choose from g77, gfortran, ifort, pgf77, f2c - -- set CC = 'gcc' -+ set gentoo-CC = 'gcc' - set CFLAGS = "-DLINUX -O3 -fstrict-aliasing -I./include" - - switch ($FORTRAN) -diff -Naur gamess/ddi/tools/ddikick/ddikick.c gamess-new/ddi/tools/ddikick/ddikick.c ---- gamess/ddi/tools/ddikick/ddikick.c 2006-06-05 03:15:09.000000000 -0400 -+++ gamess-new/ddi/tools/ddikick/ddikick.c 2006-12-13 09:13:42.000000000 -0500 -@@ -105,7 +105,7 @@ - remoteshell = argv[++i]; - } else { - if((remoteshell = getenv("DDI_RSH")) == NULL) { -- remoteshell = (char *) strdup("rsh"); -+ remoteshell = (char *) strdup("ssh"); - } - } - -diff -Naur gamess/lked gamess-new/lked ---- gamess/lked 2006-11-19 18:02:58.000000000 -0500 -+++ gamess-new/lked 2006-12-13 09:13:42.000000000 -0500 -@@ -14,8 +14,8 @@ - # linux-ia64,linux-pc,mac32,macG5,necsx,sgi32,sgi64,sun32,sun64 - # 2. Choose your GAMESS directory tree. - # --set TARGET=ibm64 --chdir /u1/mike/gamess -+set TARGET=linux-pc -+#chdir /u1/mike/gamess - # - # ---- and now the script begins... - # -@@ -330,22 +330,22 @@ - # - if ($TARGET == linux-pc) then - # -- set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c -+ set FORTRAN=gentoo-g77 # choose from g77, gfortran, ifort, pgf77, f2c - # - switch ($FORTRAN) - case g77: - set LDR='g77' -- set LDOPTS=' ' # add '-Wl,-M' to see load map -+ set gentoo-LDOPTS=' ' # add '-Wl,-M' to see load map - set LIBRARIES=' ' - breaksw - case gfortran: - set LDR='gfortran' -- set LDOPTS=' ' -+ set gentoo-LDOPTS=' ' - set LIBRARIES=' ' - breaksw - case ifort: - set LDR='ifort' -- set LDOPTS=' ' # add '-Wl,-M' to see load map -+ set gentoo-LDOPTS=' ' # add '-Wl,-M' to see load map - set LIBRARIES='-Vaxlib' - breaksw - case pgf77: -diff -Naur gamess/runall gamess-new/runall ---- gamess/runall 2006-11-06 10:04:51.000000000 -0500 -+++ gamess-new/runall 2006-12-13 09:13:42.000000000 -0500 -@@ -10,7 +10,7 @@ - # Edit this file to set the base path to GAMESS, and execute it to be - # sure all the jobs TERMINATED NORMALLY, and got correct numbers too. - # --chdir /u1/mike/gamess -+#chdir /u1/mike/gamess - set VERNO=00 - # - foreach NUM ( 01 02 03 04 05 06 07 08 09 10 11 12 13 14 15 \ -diff -Naur gamess/rungms gamess-new/rungms ---- gamess/rungms 2006-11-19 18:09:11.000000000 -0500 -+++ gamess-new/rungms 2006-12-13 09:13:42.000000000 -0500 -@@ -54,7 +54,7 @@ - # of using LoadLeveler via a "llgms" front end in ~/gamess/misc. - # - set TARGET=sockets --set SCR=/scr/$USER -+set SCR=`pwd` - # - set JOB=$1 # name of the input file xxx.inp, give only the xxx part - set VERNO=$2 # revision number of the executable created by 'lked' step -@@ -114,14 +114,14 @@ - # - set echo - # ASCII input files (see explanation above) --setenv ERICFMT ~mike/gamess/ericfmt.dat --setenv MCPPATH ~mike/gamess/mcpdata -+setenv ERICFMT /usr/share/gamess/ericfmt/ericfmt.dat -+setenv MCPPATH /usr/share/gamess/mcpdata - setenv EXTBAS /dev/null - setenv NUCBAS /dev/null - # --setenv IRCDATA ~$USER/scr/$JOB.irc -+setenv IRCDATA $SCR/$JOB.irc - setenv INPUT $SCR/$JOB.F05 --setenv PUNCH ~$USER/scr/$JOB.dat -+setenv PUNCH $SCR/$JOB.dat - setenv AOINTS $SCR/$JOB.F08 - setenv MOINTS $SCR/$JOB.F09 - setenv DICTNRY $SCR/$JOB.F10 -@@ -151,8 +151,8 @@ - setenv SOINTY $SCR/$JOB.F32 - setenv SOINTZ $SCR/$JOB.F33 - setenv SORESC $SCR/$JOB.F34 --setenv SIMEN ~$USER/scr/$JOB.simen --setenv SIMCOR ~$USER/scr/$JOB.simcor -+setenv SIMEN $SCR/$JOB.simen -+setenv SIMCOR $SCR/$JOB.simcor - setenv GCILIST $SCR/$JOB.F37 - setenv HESSIAN $SCR/$JOB.F38 - setenv SOCCDAT $SCR/$JOB.F40 -@@ -332,7 +332,7 @@ - if ($os == HP-UX) set GMSPATH=/zr/mike/gamess - if ($os == IRIX) set GMSPATH=/home/hbar4/people/schmidt/gamess - if ($os == IRIX64) set GMSPATH=/home/hbar4/people/schmidt/gamess -- if ($os == Linux) set GMSPATH=/cu/mike/gamess -+ if ($os == Linux) set GMSPATH=/usr/bin - if ($os == OSF1) set GMSPATH=/au/mike/gamess - if ($os == SunOS) set GMSPATH=/hf/mike/gamess - # special compilation for my old Sun (uname also replies SunOS) diff --git a/sci-chemistry/gamess/files/gamess-20070324.1.gentoo.patch b/sci-chemistry/gamess/files/gamess-20070324.1.gentoo.patch deleted file mode 100644 index 4d552d153f7f..000000000000 --- a/sci-chemistry/gamess/files/gamess-20070324.1.gentoo.patch +++ /dev/null @@ -1,222 +0,0 @@ -diff -Naur gamess/comp gamess-new/comp ---- gamess/comp 2007-03-24 18:21:35.000000000 -0400 -+++ gamess-new/comp 2007-04-17 15:02:02.000000000 -0400 -@@ -12,8 +12,8 @@ - # sgi32,sgi64,sun32,sun64 - # 2. Choose your GAMESS directory tree. - # --set TARGET=ibm64 --chdir /u1/mike/gamess -+set TARGET=linux32 -+#chdir /u1/mike/gamess - # - # ---- and now the script begins... - # -@@ -1112,7 +1112,7 @@ - # The only thing you need to change is the next line. - # Note: you must make the analogous choice in compddi and lked, as well. - # -- set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c -+ set FORTRAN=gentoo-g77 # choose from g77, gfortran, ifort, pgf77, f2c - # - switch ($FORTRAN) - # -@@ -1131,7 +1131,7 @@ - # Pentium II fractionally). None of these optimizations are used below. - # - case g77: -- set OPT = '-O2' -+ set gentoo-OPT = '-O2' - if ($MODULE == ormas1) set OPT='-O2 -fno-move-all-movables' # RH9, g77 3.3 - if ($MODULE == zheev) set OPT='-O0' # defensive compiling - # -@@ -1167,7 +1167,7 @@ - # -std=legacy suppresses warnings about use of f77 constructs. - # - case gfortran: -- set OPT='-O2' -+ set gentoo-OPT = '-O2' - if ($MODULE == zheev) set OPT='-O0' # defensive compiling - if (($MODULE == qeigen) || ($MODULE == int2c)) then - mv $MODULE.f $MODULE.junk -@@ -1194,7 +1194,7 @@ - # but that may cause certain ifort versions to fail on some files. - # - case ifort: -- set OPT = '-O3' -+ set gentoo-OPT = '-O2' - if ($MODULE == delocl) set OPT='-O0' # from Cheol - if ($MODULE == zheev) set OPT='-O0' - set echo -diff -Naur gamess/compall gamess-new/compall ---- gamess/compall 2007-03-24 12:44:31.000000000 -0400 -+++ gamess-new/compall 2007-04-17 15:02:09.000000000 -0400 -@@ -13,8 +13,8 @@ - # sgi32,sgi64,sun32,sun64 - # 2. Choose your GAMESS directory tree. - # --set TARGET=ibm64 --chdir /u1/mike/gamess -+set TARGET=linux32 -+#chdir /u1/mike/gamess - # - # ----- and now the script begins... - # -@@ -412,7 +412,7 @@ - # - # optional Nuclear-Electronic Orbital method, using NEO code - # --set NEO=false -+set NEO=true - if ($NEO == true) then - ./comp neo - ./comp neobas -diff -Naur gamess/ddi/compddi gamess-new/ddi/compddi ---- gamess/ddi/compddi 2007-03-19 13:51:55.000000000 -0400 -+++ gamess-new/ddi/compddi 2007-04-17 15:02:48.000000000 -0400 -@@ -15,7 +15,7 @@ - # linux32,linux64,linux-ia64,mac32,macG5,necsx, - # sgi32,sgi64,sun32,sun64 - # -- set TARGET = ibm64 -+ set TARGET = linux32 - - # 2. Choose DDI communication layer, the only legal values are - # sockets,mixed,mpi,shmem,lapi,armci -@@ -535,9 +535,9 @@ - # - if($TARGET == linux32) then - -- set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c -+ set FORTRAN=gentoo-g77 # choose from g77, gfortran, ifort, pgf77, f2c - -- set CC = 'gcc' -+ set gentoo-CC = 'gcc' - set CFLAGS = "-DLINUX -O3 -fstrict-aliasing -I./include" - - switch ($FORTRAN) -diff -Naur gamess/ddi/tools/ddikick/ddikick.c gamess-new/ddi/tools/ddikick/ddikick.c ---- gamess/ddi/tools/ddikick/ddikick.c 2006-06-05 03:15:09.000000000 -0400 -+++ gamess-new/ddi/tools/ddikick/ddikick.c 2007-04-17 15:03:01.000000000 -0400 -@@ -105,7 +105,7 @@ - remoteshell = argv[++i]; - } else { - if((remoteshell = getenv("DDI_RSH")) == NULL) { -- remoteshell = (char *) strdup("rsh"); -+ remoteshell = (char *) strdup("ssh"); - } - } - -diff -Naur gamess/lked gamess-new/lked ---- gamess/lked 2007-03-24 12:44:22.000000000 -0400 -+++ gamess-new/lked 2007-04-17 15:04:16.000000000 -0400 -@@ -15,8 +15,8 @@ - # sgi32,sgi64,sun32,sun64 - # 2. Choose your GAMESS directory tree. - # --set TARGET=ibm64 --chdir /u1/mike/gamess -+set TARGET=linux32 -+#chdir /u1/mike/gamess - # - # ---- and now the script begins... - # -@@ -285,22 +285,22 @@ - # - if ($TARGET == linux32) then - # -- set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c -+ set FORTRAN=gentoo-g77 # choose from g77, gfortran, ifort, pgf77, f2c - # - switch ($FORTRAN) - case g77: - set LDR='g77' -- set LDOPTS=' ' # add '-Wl,-M' to see load map -+ set gentoo-LDOPTS=' ' # add '-Wl,-M' to see load map - set LIBRARIES=' ' - breaksw - case gfortran: - set LDR='gfortran' -- set LDOPTS=' ' -+ set gentoo-LDOPTS=' ' - set LIBRARIES=' ' - breaksw - case ifort: - set LDR='ifort' -- set LDOPTS=' ' # add '-Wl,-M' to see load map -+ set gentoo-LDOPTS=' ' # add '-Wl,-M' to see load map - set LIBRARIES='-Vaxlib' - breaksw - case pgf77: -diff -Naur gamess/runall gamess-new/runall ---- gamess/runall 2007-03-05 16:59:51.000000000 -0500 -+++ gamess-new/runall 2007-04-17 15:04:31.000000000 -0400 -@@ -10,7 +10,7 @@ - # Edit this file to set the base path to GAMESS, and execute it to be - # sure all the jobs TERMINATED NORMALLY, and got correct numbers too. - # --chdir /u1/mike/gamess -+#chdir /u1/mike/gamess - set VERNO=00 - # - foreach NUM ( 01 02 03 04 05 06 07 08 09 10 11 12 13 14 15 \ -diff -Naur gamess/rungms gamess-new/rungms ---- gamess/rungms 2007-03-14 18:23:34.000000000 -0400 -+++ gamess-new/rungms 2007-04-17 15:06:23.000000000 -0400 -@@ -54,7 +54,7 @@ - # of using LoadLeveler via a "llgms" front end in ~/gamess/misc. - # - set TARGET=sockets --set SCR=/scr/$USER -+set SCR=`pwd` - # - set JOB=$1 # name of the input file xxx.inp, give only the xxx part - set VERNO=$2 # revision number of the executable created by 'lked' step -@@ -119,14 +119,14 @@ - # - set echo - # ASCII input files (see explanation above) --setenv ERICFMT ~mike/gamess/ericfmt.dat --setenv MCPPATH ~mike/gamess/mcpdata -+setenv ERICFMT /usr/share/gamess/ericfmt/ericfmt.dat -+setenv MCPPATH /usr/share/gamess/mcpdata - setenv EXTBAS /dev/null - setenv NUCBAS /dev/null - # --setenv IRCDATA ~$USER/scr/$JOB.irc -+setenv IRCDATA $SCR/$JOB.irc - setenv INPUT $SCR/$JOB.F05 --setenv PUNCH ~$USER/scr/$JOB.dat -+setenv PUNCH $SCR/$JOB.dat - setenv AOINTS $SCR/$JOB.F08 - setenv MOINTS $SCR/$JOB.F09 - setenv DICTNRY $SCR/$JOB.F10 -@@ -156,8 +156,8 @@ - setenv SOINTY $SCR/$JOB.F32 - setenv SOINTZ $SCR/$JOB.F33 - setenv SORESC $SCR/$JOB.F34 --setenv SIMEN ~$USER/scr/$JOB.simen --setenv SIMCOR ~$USER/scr/$JOB.simcor -+setenv SIMEN $SCR/$JOB.simen -+setenv SIMCOR $SCR/$JOB.simcor - setenv GCILIST $SCR/$JOB.F37 - setenv HESSIAN $SCR/$JOB.F38 - setenv SOCCDAT $SCR/$JOB.F40 -@@ -242,7 +242,7 @@ - if (null$4 == null) set ELGNAME=ELGFILE - set echo - setenv AOINTS $SCR/$ELGNAME.F08 -- setenv ELGDOS ~$USER/scr/$JOB.ldos -+ setenv ELGDOS $SCR/$JOB.ldos - setenv ELGDAT $SCR/$ELGNAME.F71 - setenv ELGPAR $SCR/$ELGNAME.F72 - setenv ELGCUT $SCR/$ELGNAME.F74 -@@ -343,7 +343,7 @@ - if ($os == AIX) set GMSPATH=/u1/mike/gamess - if ($os == Darwin) set GMSPATH=/Users/mike/desktop/gamess - if ($os == HP-UX) set GMSPATH=/zr/mike/gamess -- if ($os == Linux) set GMSPATH=/cu/mike/gamess -+ if ($os == Linux) set GMSPATH=/usr/bin - if ($os == OSF1) set GMSPATH=/in/mike/gamess - if ($os == SunOS) set GMSPATH=/hf/mike/gamess - # special compilation for Sun E450 uSPARC (uname also= SunOS) diff --git a/sci-chemistry/gamess/files/gamess-20080411.1.gentoo.patch b/sci-chemistry/gamess/files/gamess-20080411.1.gentoo.patch new file mode 100644 index 000000000000..38f2fe553f74 --- /dev/null +++ b/sci-chemistry/gamess/files/gamess-20080411.1.gentoo.patch @@ -0,0 +1,339 @@ +diff -Naur gamess/comp gamess.new/comp +--- gamess/comp 2008-03-19 19:56:14.000000000 -0400 ++++ gamess.new/comp 2008-05-08 09:12:01.000000000 -0400 +@@ -12,8 +12,8 @@ + # sgi32,sgi64,sun32,sun64 + # 2. Choose your GAMESS directory tree. + # +-set TARGET=ibm64 +-chdir /u1/mike/gamess ++set TARGET=gentoo-target ++#chdir /u1/mike/gamess + # + # ---- and now the script begins... + # +@@ -100,9 +100,7 @@ + # 1st is Fedora Core's, 2nd is ASCI download from ORNL, 3rd is Atlas + # the names of the latter two files on your system might well be + # different from these, edit here and in 'lked' to match your paths. +-if (($TARGET == linux32) && (-e /usr/lib/libblas.a)) set BLAS3=true +-if (($TARGET == linux32) && (-e /usr/local/bin/libblas-asci.a)) set BLAS3=true +-if (($TARGET == linux32) && (-e /usr/local/lib/libatlas.a)) set BLAS3=true ++if ($TARGET == linux32) set BLAS3=true + # For next two, assume that a math library will exist when + # we arrive at the link step: MKL or Atlas or ACML.... + if ($TARGET == linux64) set BLAS3=true +@@ -1112,7 +1110,7 @@ + # The only thing you need to change is the next line. + # Note: you must make the analogous choice in compddi and lked, as well. + # +- set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c ++ set FORTRAN=gentoo-g77 # choose from g77, gfortran, ifort, pgf77, f2c + # + switch ($FORTRAN) + # +@@ -1131,7 +1129,7 @@ + # Pentium II fractionally). None of these optimizations are used below. + # + case g77: +- set OPT = '-O2' ++ set gentoo-OPT = '-O2' + if ($MODULE == ormas1) set OPT='-O2 -fno-move-all-movables' # RH9, g77 3.3 + if ($MODULE == zheev) set OPT='-O0' # defensive compiling + # +@@ -1167,7 +1165,7 @@ + # -std=legacy suppresses warnings about use of f77 constructs. + # + case gfortran: +- set OPT='-O2' ++ set gentoo-OPT = '-O2' + if ($MODULE == zheev) set OPT='-O0' # defensive compiling + if ($MODULE == pcmcv2) set OPT='-O1' # EFP+CPCM, ala Francois, v4.1.2 + if (($MODULE == qeigen) || ($MODULE == int2c)) then +@@ -1197,7 +1195,7 @@ + # optimizations in 32 bit mode, as a function of the ifort version. + # + case ifort: +- set OPT = '-O3' ++ set gentoo-OPT = '-O2' + if ($MODULE == delocl) set OPT='-O0' # from Cheol + if ($MODULE == zheev) set OPT='-O0' + set echo +@@ -1344,12 +1342,12 @@ + # Note: you must make the analogous choice in compddi and lked, as well. + # If you wish to use ifort in 64 bit mode, use only target=linux-ia64. + # +- set FORTRAN=gfortran # choose from gfortran, pgf77, pathf90 ++ set FORTRAN=gentoo-g77 # choose from gfortran, pgf77, pathf90 + # + switch ($FORTRAN) + + case gfortran: +- set OPT='-O2' ++ set gentoo-OPT = '-O2' + if ($MODULE == zheev) set OPT='-O0' # defensive compiling + if (($MODULE == qeigen) || ($MODULE == int2c)) then + mv $MODULE.f $MODULE.junk +diff -Naur gamess/compall gamess.new/compall +--- gamess/compall 2008-04-11 14:47:57.000000000 -0400 ++++ gamess.new/compall 2008-05-08 09:12:01.000000000 -0400 +@@ -13,8 +13,8 @@ + # sgi32,sgi64,sun32,sun64 + # 2. Choose your GAMESS directory tree. + # +-set TARGET=ibm64 +-chdir /u1/mike/gamess ++set TARGET=gentoo-target ++#chdir /u1/mike/gamess + # + # ----- and now the script begins... + # +@@ -139,8 +139,8 @@ + if ($TARGET == axp64) ./comp blas + if ($TARGET == ibm64) ./comp blas + if ($TARGET == ibm-bg) ./comp blas +-if ($TARGET == linux32) ./comp blas +-if ($TARGET == linux64) ./comp blas ++#if ($TARGET == linux32) ./comp blas ++#if ($TARGET == linux64) ./comp blas + if ($TARGET == linux-ia64) ./comp blas + if ($TARGET == sun32) ./comp blas + if ($TARGET == sun64) ./comp blas +@@ -428,7 +428,7 @@ + # + # optional Nuclear-Electronic Orbital method, using NEO code + # +-set NEO=false ++set NEO=true + if ($NEO == true) then + ./comp neo + ./comp neobas +diff -Naur gamess/ddi/compddi gamess.new/ddi/compddi +--- gamess/ddi/compddi 2008-03-05 09:21:30.000000000 -0500 ++++ gamess.new/ddi/compddi 2008-05-08 09:12:01.000000000 -0400 +@@ -15,7 +15,7 @@ + # linux32,linux64,linux-ia64,mac32,mac64,macG5,necsx, + # sgi32,sgi64,sun32,sun64 + # +- set TARGET = ibm64 ++ set TARGET = gentoo-target + + # 2. Choose DDI communication layer, the only legal values are + # sockets,mixed,mpi,shmem,lapi,armci +@@ -537,9 +537,9 @@ + # + if($TARGET == linux32) then + +- set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c ++ set FORTRAN=gentoo-g77 # choose from g77, gfortran, ifort, pgf77, f2c + +- set CC = 'gcc' ++ set gentoo-CC = 'gcc' + set CFLAGS = "-DLINUX -O3 -fstrict-aliasing -I./include" + + switch ($FORTRAN) +@@ -578,12 +578,12 @@ + + # for generic 64 bit Linux, choose one of the following, + # gfortran, pgf77, pathf90 +- if ($TARGET == linux64) set FORTRAN=gfortran ++ if ($TARGET == linux64) set FORTRAN=gentoo-g77 + # + # for linux-ia64, leave the choice set to ifort (do not change!) + if ($TARGET == linux-ia64) set FORTRAN=ifort + +- set CC = 'gcc' ++ set gentoo-CC = 'gcc' + + if ($TARGET == linux64) then + set CFLAGS = "-DLINUX -m64 -O3 -fstrict-aliasing -I./include" +diff -Naur gamess/ddi/tools/ddikick/ddikick.c gamess.new/ddi/tools/ddikick/ddikick.c +--- gamess/ddi/tools/ddikick/ddikick.c 2006-06-05 03:15:09.000000000 -0400 ++++ gamess.new/ddi/tools/ddikick/ddikick.c 2008-05-08 09:12:01.000000000 -0400 +@@ -105,7 +105,7 @@ + remoteshell = argv[++i]; + } else { + if((remoteshell = getenv("DDI_RSH")) == NULL) { +- remoteshell = (char *) strdup("rsh"); ++ remoteshell = (char *) strdup("ssh"); + } + } + +diff -Naur gamess/lked gamess.new/lked +--- gamess/lked 2008-04-11 14:47:43.000000000 -0400 ++++ gamess.new/lked 2008-05-08 09:12:01.000000000 -0400 +@@ -15,8 +15,8 @@ + # sgi32,sgi64,sun32,sun64 + # 2. Choose your GAMESS directory tree. + # +-set TARGET=ibm64 +-chdir /u1/mike/gamess ++set TARGET=linux32 ++#chdir /u1/mike/gamess + # + # ---- and now the script begins... + # +@@ -299,22 +299,22 @@ + # + if ($TARGET == linux32) then + # +- set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c ++ set FORTRAN=gentoo-g77 # choose from g77, gfortran, ifort, pgf77, f2c + # + switch ($FORTRAN) + case g77: + set LDR='g77' +- set LDOPTS=' ' # add '-Wl,-M' to see load map ++ set gentoo-LDOPTS=' ' # add '-Wl,-M' to see load map + set LIBRARIES=' ' + breaksw + case gfortran: + set LDR='gfortran' +- set LDOPTS=' ' ++ set gentoo-LDOPTS=' ' + set LIBRARIES=' ' + breaksw + case ifort: + set LDR='ifort' +- set LDOPTS=' ' # add '-Wl,-M' to see load map ++ set gentoo-LDOPTS=' ' # add '-Wl,-M' to see load map + set LIBRARIES='-Vaxlib' + breaksw + case pgf77: +@@ -344,22 +344,22 @@ + # Additional libraries not considered here are 32 bit versions + # of Atlas, MKL, or ACML, they are perfectly reasonable choices. + # +- set BLASLIBRARY=' ' +- set BLAS='blas.o' # turn this off if a math library exists... ++ set BLASLIBRARY=`pkg-config --libs blas` ++ set BLAS='' + # +- if (-e /usr/lib/libblas.a) then +- set BLASLIBRARY="-lblas" +- set BLAS=' ' +- endif +- if (-e /usr/local/bin/libblas-asci.a) then +- set BLASLIBRARY="/usr/local/bin/libblas-asci.a" +- set BLAS=' ' +- endif +- if (-e /usr/local/lib/libatlas.a) then +- set BLASLIBRARY="/usr/local/lib/libf77blas.a" +- set BLASLIBRARY="$BLASLIBRARY /usr/local/lib/libatlas.a" +- set BLAS=' ' +- endif ++# if (-e /usr/lib/libblas.a) then ++# set BLASLIBRARY="-lblas" ++# set BLAS=' ' ++# endif ++# if (-e /usr/local/bin/libblas-asci.a) then ++# set BLASLIBRARY="/usr/local/bin/libblas-asci.a" ++# set BLAS=' ' ++# endif ++# if (-e /usr/local/lib/libatlas.a) then ++# set BLASLIBRARY="/usr/local/lib/libf77blas.a" ++# set BLASLIBRARY="$BLASLIBRARY /usr/local/lib/libatlas.a" ++# set BLAS=' ' ++# endif + # + if ($BLAS == 'blas.o') then + echo " " +diff -Naur gamess/runall gamess.new/runall +--- gamess/runall 2008-03-18 16:18:58.000000000 -0400 ++++ gamess.new/runall 2008-05-08 09:12:01.000000000 -0400 +@@ -10,7 +10,7 @@ + # Edit this file to set the base path to GAMESS, and execute it to be + # sure all the jobs TERMINATED NORMALLY, and got correct numbers too. + # +-chdir /u1/mike/gamess ++#chdir /u1/mike/gamess + set VERNO=00 + # + foreach NUM ( 01 02 03 04 05 06 07 08 09 10 11 12 13 14 15 \ +diff -Naur gamess/rungms gamess.new/rungms +--- gamess/rungms 2008-03-13 19:56:18.000000000 -0400 ++++ gamess.new/rungms 2008-05-08 09:14:03.000000000 -0400 +@@ -54,7 +54,7 @@ + # of using LoadLeveler via a "llgms" front end in ~/gamess/misc. + # + set TARGET=sockets +-set SCR=/scr/$USER ++set SCR=`pwd` + # + set JOB=$1 # name of the input file xxx.inp, give only the xxx part + set VERNO=$2 # revision number of the executable created by 'lked' step +@@ -119,15 +119,15 @@ + # + set echo + # ASCII input files (see explanation above) +-setenv ERICFMT ~mike/gamess/ericfmt.dat +-setenv MCPPATH ~mike/gamess/mcpdata ++setenv ERICFMT /usr/share/gamess/ericfmt/ericfmt.dat ++setenv MCPPATH /usr/share/gamess/mcpdata + setenv EXTBAS /dev/null + setenv NUCBAS /dev/null + # +-setenv MAKEFP ~$USER/scr/$JOB.efp +-setenv IRCDATA ~$USER/scr/$JOB.irc ++setenv MAKEFP $SCR/$JOB.efp ++setenv IRCDATA $SCR/$JOB.irc + setenv INPUT $SCR/$JOB.F05 +-setenv PUNCH ~$USER/scr/$JOB.dat ++setenv PUNCH $SCR/$JOB.dat + setenv AOINTS $SCR/$JOB.F08 + setenv MOINTS $SCR/$JOB.F09 + setenv DICTNRY $SCR/$JOB.F10 +@@ -157,8 +157,8 @@ + setenv SOINTY $SCR/$JOB.F32 + setenv SOINTZ $SCR/$JOB.F33 + setenv SORESC $SCR/$JOB.F34 +-setenv SIMEN ~$USER/scr/$JOB.simen +-setenv SIMCOR ~$USER/scr/$JOB.simcor ++setenv SIMEN $SCR/$JOB.simen ++setenv SIMCOR $SCR/$JOB.simcor + setenv GCILIST $SCR/$JOB.F37 + setenv HESSIAN $SCR/$JOB.F38 + setenv SOCCDAT $SCR/$JOB.F40 +@@ -303,7 +303,7 @@ + if (null$4 == null) set ELGNAME=ELGFILE + set echo + setenv AOINTS $SCR/$ELGNAME.F08 +- setenv ELGDOS ~$USER/scr/$JOB.ldos ++ setenv ELGDOS $SCR/$JOB.ldos + setenv ELGDAT $SCR/$ELGNAME.F71 + setenv ELGPAR $SCR/$ELGNAME.F72 + setenv ELGCUT $SCR/$ELGNAME.F74 +@@ -406,7 +406,7 @@ + if ($os == AIX) set GMSPATH=/u1/mike/gamess + if ($os == Darwin) set GMSPATH=/Users/mike/desktop/gamess + if ($os == HP-UX) set GMSPATH=/zr/mike/gamess +- if ($os == Linux) set GMSPATH=/cu/mike/gamess ++ if ($os == Linux) set GMSPATH=/usr/bin + if ($os == OSF1) set GMSPATH=/in/mike/gamess + if ($os == SunOS) set GMSPATH=/hf/mike/gamess + # special compilation for Sun E450 uSPARC (uname also= SunOS) +diff -Naur gamess/.rungms.rej.swo gamess.new/.rungms.rej.swo +--- gamess/.rungms.rej.swo 1969-12-31 19:00:00.000000000 -0500 ++++ gamess.new/.rungms.rej.swo 2008-05-08 09:13:01.000000000 -0400 +@@ -0,0 +1 @@ ++b0VIM 7.1 +\ No newline at end of file +diff -Naur gamess/source/zunix.c gamess.new/source/zunix.c +--- gamess/source/zunix.c 2007-05-07 10:44:22.000000000 -0400 ++++ gamess.new/source/zunix.c 2008-05-08 09:12:01.000000000 -0400 +@@ -331,6 +331,7 @@ + #ifdef LINUX32 + + #include <stdlib.h> ++#include <string.h> + int memget_(nwords) int *nwords; + { int nbytes; + nbytes = (*nwords+2)*8; +@@ -412,6 +413,7 @@ + + #include <stdlib.h> + #include <malloc.h> ++#include <string.h> + + #define FORTINT long + diff --git a/sci-chemistry/gamess/gamess-20060907.4.ebuild b/sci-chemistry/gamess/gamess-20060907.4.ebuild deleted file mode 100644 index 4fc67512d6c4..000000000000 --- a/sci-chemistry/gamess/gamess-20060907.4.ebuild +++ /dev/null @@ -1,214 +0,0 @@ -# Copyright 1999-2008 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20060907.4.ebuild,v 1.5 2008/03/18 21:35:53 markusle Exp $ - -inherit eutils toolchain-funcs fortran flag-o-matic - -DESCRIPTION="A powerful quantum chemistry package" -LICENSE="gamess" -HOMEPAGE="http://www.msg.ameslab.gov/GAMESS/GAMESS.html" -SRC_URI="${P}.tar.gz" - -SLOT="0" -KEYWORDS="~ppc ~x86" -IUSE="hardened blas" - -RESTRICT="fetch" - -DEPEND="app-shells/tcsh - hardened? ( sys-apps/paxctl ) - blas? ( virtual/blas )" - -RDEPEND="app-shells/tcsh - net-misc/openssh" - -S="${WORKDIR}/${PN}" - -GAMESS_DOWNLOAD="http://www.msg.ameslab.gov/GAMESS/License_Agreement.html" -GAMESS_VERSION="7 SEP 2006 (R4)" -FORTRAN="ifc g77 gfortran" - -pkg_nofetch() { - echo - einfo "Please download ${PN}-current.tar.gz from" - einfo "${GAMESS_DOWNLOAD}." - einfo "Be sure to select the version ${GAMESS_VERSION} tarball!!" - einfo "Then move the tarball to" - einfo "${DISTDIR}/${P}.tar.gz" - echo -} - -pkg_setup() { - fortran_pkg_setup - - # blas and ifc don't go together - if use blas && [[ "${FORTRANC}" = "ifc" ]]; then - echo - ewarn "${PN} can not be compiled with USE=blas and ifc." - ewarn "Linking against GAMESS' internal blas instead." - echo - fi -} - -src_unpack() { - unpack ${A} - - # apply LINUX-arch patches to gamess makesfiles - epatch "${FILESDIR}"/${P}.gentoo.patch - - # for hardened-gcc let't turn off ssp, since it breakes - # a few routines - cd "${S}" - if use hardened && [[ "${FORTRANC}" = "g77" ]]; then - FFLAGS="${FFLAGS} -fno-stack-protector-all" - fi - - # enable NEO - sed -e "s:NEO=false:NEO=true:" -i compall lked || \ - die "Failed to enable NEO code" - - # greate proper activate sourcefile - cp "./tools/actvte.code" "./tools/actvte.f" || \ - die || "Failed to create actvte.f" - sed -e "s/^\*UNX/ /" -i "./tools/actvte.f" || \ - die || "Failed to perform UNX substitutions in actvte.f" - - # fix GAMESS' compall script to use proper CC - sed -e "s|\$CCOMP -c \$extraflags source/zunix.c|$(tc-getCC) -c \$extraflags source/zunix.c|" \ - -i compall || die "Failed setting up compall script" - - # insert proper FFLAGS into GAMESS' comp makefile - # in case we're using ifc let's strip all the gcc - # specific stuff - if [[ "${FORTRANC}" == "ifc" ]]; then - sed -e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS} -quiet'/" \ - -e "s/gentoo-g77/${FORTRANC}/" \ - -i comp || die "Failed setting up comp script" - elif ! use x86; then - sed -e "s/-malign-double //" \ - -e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS}'/" \ - -e "s/gentoo-g77/${FORTRANC}/" \ - -i comp || die "Failed setting up comp script" - else - sed -e "s/gentoo-OPT = '-O2'/OPT = '${FFLAGS}'/" \ - -e "s/gentoo-g77/${FORTRANC}/" \ - -i comp || die "Failed setting up comp script" - fi - - # use proper blas - if ! use blas || [[ "${FORTRANC}" = "ifc" ]]; then - sed -e "s|/usr/lib/libblas.a|/usr/lib/dontuselibblas.a|" \ - -i lked || die "Failed to adjust blas in lked" - fi - - # fix up GAMESS' linker script; - sed -e "s/gentoo-g77/${FORTRANC}/" \ - -e "s/gentoo-LDOPTS=' '/LDOPTS='${LDFLAGS}'/" \ - -i lked || die "Failed setting up lked script" - - # fix up GAMESS' ddi TCP/IP socket build - sed -e "s/gentoo-CC = 'gcc'/CC = '$(tc-getCC)'/" \ - -e "s/gentoo-g77/${FORTRANC}/" \ - -i ddi/compddi || die "Failed setting up compddi script" - - # fix up the checker scripts for gamess tests - sed -e "s:set GMSPATH:#set GMSPATH:g" \ - -e "s:\$GMSPATH/tools/checktst:.:g" \ - -i tools/checktst/checktst -} - -src_compile() { - # build actvte - cd "${S}"/tools - "${FORTRANC}" -o actvte.x actvte.f || \ - die "Failed to compile actvte.x" - - # for hardened (PAX) users and ifc we need to turn - # MPROTECT off - if [[ "${FORTRANC}" == "ifc" ]] && use hardened; then - /sbin/paxctl -PemRxS actvte.x 2> /dev/null || \ - die "paxctl failed on actvte.x" - fi - - # build gamess - cd "${S}" - ./compall || die "compall failed" - - # build the ddi TCP/IP socket stuff - cd ${S}/"ddi" - ./compddi || die "compddi failed" - - # finally, link it all together - cd "${S}" - ./lked || die "lked failed" - - # for hardened (PAX) users and ifc we need to turn - # MPROTECT off - if [[ "${FORTRANC}" == "ifc" ]] && use hardened; then - /sbin/paxctl -PemRxS ${PN}.00.x 2> /dev/null || \ - die "paxctl failed on actvte.x" - fi -} - -src_install() { - # the executables - dobin ${PN}.00.x ddi/ddikick.x rungms \ - || die "Failed installing binaries" - - # the docs - dodoc *.DOC qmnuc/*.DOC || die "Failed installing docs" - - # install ericftm - insinto /usr/share/${PN}/ericfmt - doins ericfmt.dat || die "Failed installing ericfmt.dat" - - # install mcpdata - insinto /usr/share/${PN}/mcpdata - doins mcpdata/* || die "Failed installing mcpdata" - - # install the tests the user should run, and - # fix up the runscript; also grab a copy of rungms - # so the user is ready to run the tests - insinto /usr/share/${PN}/tests - insopts -m0644 - doins tests/* || die "Failed installing tests" - insopts -m0744 - doins runall || die "Failed installing tests" - doins tools/checktst/checktst tools/checktst/chkabs || \ - die "Failed to install main test checker" - doins tools/checktst/exam* || \ - die "Failed to install individual test files" - - insinto /usr/share/${PN}/neotests - insopts -m0644 - doins -r qmnuc/neotests/* || die "Failed to install NEO tests" -} - -pkg_postinst() { - echo - einfo "Before you use GAMESS for any serious work you HAVE" - einfo "to run the supplied test files located in" - einfo "/usr/share/gamess/tests and check them thoroughly." - einfo "Otherwise all scientific publications resulting from" - einfo "your GAMESS runs should be immediately rejected :)" - einfo "To do so copy the content of /usr/share/gamess/tests" - einfo "to some temporary location and execute './runall'. " - einfo "Then run the checktst script in the same directory to" - einfo "validate the tests." - einfo "Please consult TEST.DOC and the other docs!" - - if [[ "${FORTRANC}" == "ifc" ]]; then - echo - ewarn "IMPORTANT NOTE: We STRONGLY recommend to stay away" - ewarn "from ifc-9.0 for now and use the ifc-8.1 series of" - ewarn "compilers UNLESS you can run through ALL of the " - ewarn "test cases (see above) successfully." - fi - - echo - einfo "If you want to run on more than a single CPU" - einfo "you will have to acquaint yourself with the way GAMESS" - einfo "does multiprocessor runs and adjust rungms according to" - einfo "your target network architecture." - echo -} diff --git a/sci-chemistry/gamess/gamess-20070324.1.ebuild b/sci-chemistry/gamess/gamess-20080411.1.ebuild index 30cff5655515..2f323e41cb10 100644 --- a/sci-chemistry/gamess/gamess-20070324.1.ebuild +++ b/sci-chemistry/gamess/gamess-20080411.1.ebuild @@ -1,6 +1,6 @@ # Copyright 1999-2008 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20070324.1.ebuild,v 1.6 2008/03/18 21:35:53 markusle Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gamess/gamess-20080411.1.ebuild,v 1.1 2008/05/08 17:42:47 markusle Exp $ inherit eutils toolchain-funcs fortran flag-o-matic @@ -10,14 +10,14 @@ HOMEPAGE="http://www.msg.ameslab.gov/GAMESS/GAMESS.html" SRC_URI="${P}.tar.gz" SLOT="0" -KEYWORDS="~ppc x86" -IUSE="hardened blas" +KEYWORDS="~ppc ~x86 ~amd64" +IUSE="hardened" RESTRICT="fetch" DEPEND="app-shells/tcsh hardened? ( sys-apps/paxctl ) - blas? ( virtual/blas )" + virtual/blas" RDEPEND="${DEPEND} net-misc/openssh" @@ -25,7 +25,7 @@ RDEPEND="${DEPEND} S="${WORKDIR}/${PN}" GAMESS_DOWNLOAD="http://www.msg.ameslab.gov/GAMESS/License_Agreement.html" -GAMESS_VERSION="24 MAR 2007 (R1)" +GAMESS_VERSION="11 APR 2008 (R1)" FORTRAN="ifc g77 gfortran" pkg_nofetch() { @@ -41,12 +41,9 @@ pkg_nofetch() { pkg_setup() { fortran_pkg_setup - # blas and ifc don't go together - if use blas && [[ "${FORTRANC}" = "ifc" ]]; then - echo - ewarn "${PN} can not be compiled with USE=blas and ifc." - ewarn "Linking against GAMESS' internal blas instead." - echo + # currently amd64 is only supported with gfortran + if [[ "${ARCH}" == "amd64" ]] && [[ "${FORTRANC}" != "gfortran" ]]; + then die "You will need gfortran to compile gamess on amd64" fi } @@ -56,9 +53,21 @@ src_unpack() { # apply LINUX-arch patches to gamess makesfiles epatch "${FILESDIR}"/${P}.gentoo.patch + # select arch + # NOTE: please leave lked alone; it should be good as is!! + cd "${S}" + local active_arch; + if [[ "${ARCH}" == "amd64" ]]; then + active_arch="linux64"; + else + active_arch="linux32"; + fi + sed -e "s:gentoo-target:${active_arch}:" \ + -i comp compall ddi/compddi \ + || die "Failed to select proper architecure" + # for hardened-gcc let't turn off ssp, since it breakes # a few routines - cd "${S}" if use hardened && [[ "${FORTRANC}" = "g77" ]]; then FFLAGS="${FFLAGS} -fno-stack-protector-all" fi @@ -95,12 +104,6 @@ src_unpack() { -i comp || die "Failed setting up comp script" fi - # use proper blas - if ! use blas || [[ "${FORTRANC}" = "ifc" ]]; then - sed -e "s|/usr/lib/libblas.a|/usr/lib/dontuselibblas.a|" \ - -i lked || die "Failed to adjust blas in lked" - fi - # fix up GAMESS' linker script; sed -e "s/gentoo-g77/${FORTRANC}/" \ -e "s/gentoo-LDOPTS=' '/LDOPTS='${LDFLAGS}'/" \ |