diff options
Diffstat (limited to 'science/gamess')
| -rw-r--r-- | science/gamess/Makefile | 3 | ||||
| -rw-r--r-- | science/gamess/files/patch-rungms | 17 | ||||
| -rw-r--r-- | science/gamess/pkg-plist | 10 |
3 files changed, 21 insertions, 9 deletions
diff --git a/science/gamess/Makefile b/science/gamess/Makefile index 47deabc6791b..e050a7a688cb 100644 --- a/science/gamess/Makefile +++ b/science/gamess/Makefile @@ -116,6 +116,7 @@ do-build: do-install: ${MKDIR} ${PREFIX}/bin/gms ${MKDIR} ${PREFIX}/share/gamess + ${MKDIR} ${PREFIX}/share/gamess/mcpdata ${MKDIR} ${PREFIX}/share/doc/gamess ${MKDIR} ${PREFIX}/share/examples/gamess ${INSTALL_SCRIPT} ${WRKDIR}/gamess/rungms ${PREFIX}/bin/gamess @@ -125,5 +126,7 @@ do-install: ${INSTALL_DATA} ${WRKDIR}/gamess/*.DOC ${PREFIX}/share/doc/gamess/ ${INSTALL_DATA} ${WRKDIR}/gamess/tests/*.inp ${PREFIX}/share/examples/gamess/ ${INSTALL_DATA} ${WRKDIR}/gamess/ericfmt.dat ${PREFIX}/share/gamess/ + ${INSTALL_DATA} ${WRKDIR}/gamess/mcpdata/* ${PREFIX}/share/gamess/mcpdata/ + ${INSTALL_DATA} ${WRKDIR}/gamess/ddi/readme.ddi ${PREFIX}/share/doc/gamess/ .include <bsd.port.post.mk> diff --git a/science/gamess/files/patch-rungms b/science/gamess/files/patch-rungms index 0a6d823ad7ac..6467b62d3262 100644 --- a/science/gamess/files/patch-rungms +++ b/science/gamess/files/patch-rungms @@ -1,5 +1,5 @@ ---- rungms.orig Thu Jun 7 07:03:07 2007 -+++ rungms Thu Aug 2 11:17:25 2007 +--- rungms.orig Wed Jun 6 17:03:07 2007 ++++ rungms Wed Sep 26 14:31:55 2007 @@ -1,4 +1,4 @@ -#!/bin/csh +#!/bin/csh -f @@ -21,7 +21,7 @@ # 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 -@@ -66,35 +73,45 @@ +@@ -66,35 +72,45 @@ # # ---- the top third of the script is input and other file assignments ---- # @@ -38,8 +38,9 @@ +#df -k $SCR # this added as experiment, February 2007 - limit stacksize 8192 - +-limit stacksize 8192 ++#limit stacksize 8192 ++ +set JOBORG=$JOB +set JOB=$JOB:r # strip off possible .inp + @@ -49,7 +50,7 @@ + echo "Input file $JOBORG does not exist. Please fix and resubmit." + exit 4 +endif -+ + # Grab a copy of the input file. # In the case of EXAMnn jobs, this file might be in the "tests" subdirectory. -if ($JOB:r.inp == $JOB) set JOB=$JOB:r # strip off possible .inp @@ -89,7 +90,7 @@ # file assignments. # -@@ -117,16 +134,16 @@ +@@ -117,16 +133,16 @@ # d. see NEO plug-in code's documentation regarding the NUCBAS file. # Note that you must edit a+b, but will probably skip c+d. # @@ -111,7 +112,7 @@ setenv AOINTS $SCR/$JOB.F08 setenv MOINTS $SCR/$JOB.F09 setenv DICTNRY $SCR/$JOB.F10 -@@ -156,8 +173,8 @@ +@@ -156,8 +172,8 @@ setenv SOINTY $SCR/$JOB.F32 setenv SOINTZ $SCR/$JOB.F33 setenv SORESC $SCR/$JOB.F34 diff --git a/science/gamess/pkg-plist b/science/gamess/pkg-plist index 4bfa42f08aca..bcc5e7557794 100644 --- a/science/gamess/pkg-plist +++ b/science/gamess/pkg-plist @@ -7,7 +7,15 @@ share/doc/gamess/IRON.DOC share/doc/gamess/PROG.DOC share/doc/gamess/REFS.DOC share/doc/gamess/TESTS.DOC +share/doc/gamess/readme.ddi share/gamess/ericfmt.dat +share/gamess/mcpdata/IMCP-NR1 +share/gamess/mcpdata/IMCP-NR2 +share/gamess/mcpdata/IMCP-SR1 +share/gamess/mcpdata/IMCP-SR2 +share/gamess/mcpdata/MCP-DZP +share/gamess/mcpdata/MCP-QZP +share/gamess/mcpdata/MCP-TZP share/examples/gamess/exam01.inp share/examples/gamess/exam02.inp share/examples/gamess/exam03.inp @@ -52,6 +60,6 @@ share/examples/gamess/exam41.inp share/examples/gamess/exam42.inp @dirrm bin/gms @dirrm share/doc/gamess +@dirrm share/gamess/mcpdata @dirrm share/gamess @dirrm share/examples/gamess - |