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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-10-15 06:12:03 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-10-15 06:12:03 +0000 |
| commit | 40a86cc349c2b104610135cff128bbe2197c5a41 (patch) | |
| tree | 9a3287ee8bb0108da833fad1d5f7446a870cf371 /science/gamess-us | |
| parent | 45627a3e731d0397df5b63ada07720aab20b4960 (diff) | |
| download | ports-40a86cc349c2b104610135cff128bbe2197c5a41.tar.gz ports-40a86cc349c2b104610135cff128bbe2197c5a41.zip | |
Notes
Diffstat (limited to 'science/gamess-us')
| -rw-r--r-- | science/gamess-us/Makefile | 6 | ||||
| -rw-r--r-- | science/gamess-us/files/pkg-message.in | 5 |
2 files changed, 8 insertions, 3 deletions
diff --git a/science/gamess-us/Makefile b/science/gamess-us/Makefile index 970fea469ec6..70b085dff32a 100644 --- a/science/gamess-us/Makefile +++ b/science/gamess-us/Makefile @@ -2,7 +2,7 @@ PORTNAME= gamess DISTVERSION= 20181013 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science PKGNAMESUFFIX= -us # "US" fork DISTNAME= gamess-current @@ -25,7 +25,7 @@ WRKSRC= ${WRKDIR}/gamess BINARY_ALIAS= gcc=${CC} gfortran=gfortran${GCC_DEFAULT} -GAMES_VERNO= 01 +GAMES_VERNO= 00 GAMES_ENV= GMS_PATH=${WRKSRC} GMS_BUILD_DIR=${WRKSRC} GMS_TARGET=${ARCH:S/amd64/linux64/:S/i386/linux32/} \ GMS_FORTRAN=gfortran GMS_GFORTRAN_VERNO=7.3 \ GMS_VERSION=${GAMES_VERNO} GMS_BUILD_PATH=${WRKSRC} \ @@ -68,7 +68,7 @@ do-configure: do-build: @cd ${WRKSRC}/ddi && ${SETENV} ${MAKE_ENV} ./compddi && ${MV} ddikick.x .. @cd ${WRKSRC} && ${SETENV} ${MAKE_ENV} ./compall - @cd ${WRKSRC} && ${SETENV} ${MAKE_ENV} ./lked gamess 01 + @cd ${WRKSRC} && ${SETENV} ${MAKE_ENV} ./lked gamess ${GAMES_VERNO} do-install: ${INSTALL_SCRIPT} ${WRKSRC}/rungms ${STAGEDIR}${PREFIX}/bin diff --git a/science/gamess-us/files/pkg-message.in b/science/gamess-us/files/pkg-message.in index 32a84f1b3b8e..86800fa79f4d 100644 --- a/science/gamess-us/files/pkg-message.in +++ b/science/gamess-us/files/pkg-message.in @@ -4,7 +4,12 @@ You installed GAMESS (US): General Atomic and Molecular Electronic In order to run the computation, run the command: $ rungms {case-name} %%GAMES_VERNO%% {num-cpu} +or its simplified form: +$ rungms {case-name} It expects the input file {case-name}.inp which specifies the computation to perform. + +You can use the wxmacmolplt command from science/wxmacmolplt to view +the computation results. ====================================================================== |