diff options
| author |   Markus Dittrich <markusle@gentoo.org> | 2005-12-03 18:26:15 +0000 |
|---|---|---|
| committer | Markus Dittrich <markusle@gentoo.org> | 2005-12-03 18:26:15 +0000 |
| commit | a6dd5ccb28a8f46ede849154d3af39dc7fbf0166 (patch) | |
| tree | 2e279855f30d4a44fba336604b4fcdf0f4aa4107 /sci-chemistry/gamess/files | |
| parent | stable on ppc64 (diff) | |
| download | gentoo-2-a6dd5ccb28a8f46ede849154d3af39dc7fbf0166.tar.gz gentoo-2-a6dd5ccb28a8f46ede849154d3af39dc7fbf0166.tar.bz2 gentoo-2-a6dd5ccb28a8f46ede849154d3af39dc7fbf0166.zip | |
Bumped GAMESS to most recent version and changed ebuild naming to properly reflect the revision number; this fixes bug #114278. Removed old ebuild.
(Portage version: 2.0.51.22-r3)
Diffstat (limited to 'sci-chemistry/gamess/files')
| -rw-r--r-- | sci-chemistry/gamess/files/digest-gamess-05272005 | 1 | ||||
| -rw-r--r-- | sci-chemistry/gamess/files/digest-gamess-05272005.3 | 1 | ||||
| -rw-r--r-- | sci-chemistry/gamess/files/rungms-gentoo.patch | 30 |
3 files changed, 16 insertions, 16 deletions
diff --git a/sci-chemistry/gamess/files/digest-gamess-05272005 b/sci-chemistry/gamess/files/digest-gamess-05272005 deleted file mode 100644 index 505c63894ac0..000000000000 --- a/sci-chemistry/gamess/files/digest-gamess-05272005 +++ /dev/null @@ -1 +0,0 @@ -MD5 3aa67e3db20051d372f6fc79c47c3abe gamess-current.tar.gz 5761028 diff --git a/sci-chemistry/gamess/files/digest-gamess-05272005.3 b/sci-chemistry/gamess/files/digest-gamess-05272005.3 new file mode 100644 index 000000000000..fe86e56c2ef2 --- /dev/null +++ b/sci-chemistry/gamess/files/digest-gamess-05272005.3 @@ -0,0 +1 @@ +MD5 1478f6223f5096d00552806f2a98fd9e gamess-05272005.3.tar.gz 6339705 diff --git a/sci-chemistry/gamess/files/rungms-gentoo.patch b/sci-chemistry/gamess/files/rungms-gentoo.patch index 8e6e9641145c..1c53445dce8e 100644 --- a/sci-chemistry/gamess/files/rungms-gentoo.patch +++ b/sci-chemistry/gamess/files/rungms-gentoo.patch @@ -1,10 +1,7 @@ -# patch to make rungms wrapper script for GAMESS work on our -# gentoo install - ---- gamess/rungms 2005-07-23 20:33:54.000000000 +0000 -+++ gamess-gentoo/rungms 2005-09-04 17:01:19.000000000 +0000 -@@ -39,7 +39,7 @@ - # its own list of further requirements. +--- gamess/rungms 2005-11-10 22:03:42.000000000 +0000 ++++ gamess-new//rungms 2005-12-02 18:47:25.000000000 +0000 +@@ -54,7 +54,7 @@ + # of using LoadLeveler via a "llgms" front end in ~/gamess/misc. # set TARGET=sockets -set SCR=/scr/$USER @@ -12,33 +9,36 @@ # set JOB=$1 # name of the input file xxx.inp, give only the xxx part set VERNO=$2 # revision number of the executable created by 'lked' step -@@ -90,11 +90,11 @@ - # is therefore most suitable to be stored only once, on the file server. +@@ -113,13 +113,13 @@ # set echo + # three ASCII input files (see explanation above) -setenv ERICFMT ~mike/gamess/ericfmt.dat +-setenv MCPPATH ~mike/gamess/mcpdata +setenv ERICFMT /usr/share/gamess/ericfmt/ericfmt.dat ++setenv MCPPATH /usr/share/gamess/mcpdata setenv EXTBAS /dev/null --setenv IRCDATA ~/scr/$JOB.irc + # +-setenv IRCDATA ~$USER/scr/$JOB.irc +setenv IRCDATA $SCR/$JOB.irc setenv INPUT $SCR/$JOB.F05 --setenv PUNCH ~/scr/$JOB.dat +-setenv PUNCH ~$USER/scr/$JOB.dat +setenv PUNCH $SCR/$JOB.dat setenv AOINTS $SCR/$JOB.F08 setenv MOINTS $SCR/$JOB.F09 setenv DICTNRY $SCR/$JOB.F10 -@@ -124,8 +124,8 @@ +@@ -149,8 +149,8 @@ setenv SOINTY $SCR/$JOB.F32 setenv SOINTZ $SCR/$JOB.F33 setenv SORESC $SCR/$JOB.F34 --setenv SIMEN ~/scr/$JOB.simen --setenv SIMCOR ~/scr/$JOB.simcor +-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 -@@ -266,7 +266,7 @@ +@@ -291,7 +291,7 @@ 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 |