diff options
author | Maho Nakata <maho@FreeBSD.org> | 2008-07-23 09:27:10 +0000 |
---|---|---|
committer | Maho Nakata <maho@FreeBSD.org> | 2008-07-23 09:27:10 +0000 |
commit | a2a286f2cb35ecaeba64f2ffe7acf53a527e8bf5 (patch) | |
tree | c650d0c8d883983b30cfb342bf8fdb6ff72c671f /science/psi3/pkg-plist | |
parent | dc563830de040fa8307526f238001f4006e4f55a (diff) | |
download | ports-a2a286f2cb35ecaeba64f2ffe7acf53a527e8bf5.tar.gz ports-a2a286f2cb35ecaeba64f2ffe7acf53a527e8bf5.zip |
Notes
Diffstat (limited to 'science/psi3/pkg-plist')
-rw-r--r-- | science/psi3/pkg-plist | 559 |
1 files changed, 384 insertions, 175 deletions
diff --git a/science/psi3/pkg-plist b/science/psi3/pkg-plist index 95a60ccd9758..6f881ce583fc 100644 --- a/science/psi3/pkg-plist +++ b/science/psi3/pkg-plist @@ -1,7 +1,6 @@ bin/ccdensity bin/ccenergy bin/cceom -bin/cceom-d bin/cchbar bin/cclambda bin/ccresponse @@ -19,6 +18,7 @@ bin/detci bin/extrema bin/geom bin/input +bin/intder bin/localize bin/mocube bin/mp2 @@ -32,6 +32,7 @@ bin/response bin/stable bin/tocprint bin/transqt +bin/transqt2 include/ccfiles.h include/chkpt_params.h include/libbasis/basisset.h @@ -64,7 +65,6 @@ include/libipv1/scan.gbl include/libipv1/tmpl.h include/libipv1/y.tab.gbl include/libiwl/iwl.h -include/libpsio/psio.gbl include/libpsio/psio.h include/libqt/qt.h include/libr12/libr12.h @@ -86,429 +86,604 @@ lib/libPSI_iwl.a lib/libPSI_psio.a lib/libPSI_qt.a lib/libPSI_r12.a -@dirrm include/libr12 -@dirrm include/libqt -@dirrm include/libpsio -@dirrm include/libiwl -@dirrm include/libipv1 -@dirrm include/libint -@dirrm include/libdpd -@dirrm include/libderiv -@dirrm include/libciomr -@dirrm include/libchkpt -@dirrm include/libbasis -%%PORTDOCS%%share/psi3/pbasis.dat -%%PORTDOCS%%share/psi3/psi.dat -%%PORTDOCS%%%%DOCSDIR%%/libpsio.html -%%PORTDOCS%%%%DOCSDIR%%/libdpd.html -%%PORTDOCS%%%%DOCSDIR%%/cints.html -%%PORTDOCS%%%%DOCSDIR%%/CINTS/commandline.html -%%PORTDOCS%%%%DOCSDIR%%/CINTS/compile.html -%%PORTDOCS%%%%DOCSDIR%%/CINTS/description.html -%%PORTDOCS%%%%DOCSDIR%%/CINTS/examples.html -%%PORTDOCS%%%%DOCSDIR%%/CINTS/home.html -%%PORTDOCS%%%%DOCSDIR%%/CINTS/keywords.html -%%PORTDOCS%%%%DOCSDIR%%/CINTS/references.html -%%PORTDOCS%%%%DOCSDIR%%/CINTS/toc.html -%%PORTDOCS%%%%DOCSDIR%%/libqt.txt -%%PORTDOCS%%%%DOCSDIR%%/libiwl.txt -%%PORTDOCS%%%%DOCSDIR%%/installation.pdf -%%PORTDOCS%%%%DOCSDIR%%/userman.pdf -%%PORTDOCS%%%%DOCSDIR%%/progman.pdf -%%PORTDOCS%%@dirrm share/doc/psi3/CINTS -%%PORTDOCS%%@dirrm %%DOCSDIR%% -%%EXAMPLESDIR%%/MakeRules.in -%%EXAMPLESDIR%%/INDEX %%EXAMPLESDIR%%/Basis_Tests/Benchmarks %%EXAMPLESDIR%%/Basis_Tests/input.dat %%EXAMPLESDIR%%/Basis_Tests/psi_test.pl %%EXAMPLESDIR%%/Basis_Tests/standard.input +%%EXAMPLESDIR%%/INDEX +%%EXAMPLESDIR%%/MakeRules +%%EXAMPLESDIR%%/MakeRules.in +%%EXAMPLESDIR%%/MakeVars %%EXAMPLESDIR%%/MakeVars.in +%%EXAMPLESDIR%%/Makefile %%EXAMPLESDIR%%/Makefile.in -%%EXAMPLESDIR%%/driver.test.pl -%%EXAMPLESDIR%%/psitest.pl -%%EXAMPLESDIR%%/runtest.pl.in +%%EXAMPLESDIR%%/README-NEW-TESTS +%%EXAMPLESDIR%%/casscf-fzc-sp/Makefile +%%EXAMPLESDIR%%/casscf-fzc-sp/Makefile.in +%%EXAMPLESDIR%%/casscf-fzc-sp/input.dat +%%EXAMPLESDIR%%/casscf-fzc-sp/output.ref +%%EXAMPLESDIR%%/casscf-fzc-sp/psi.file14.ref +%%EXAMPLESDIR%%/casscf-sa-sp/Makefile +%%EXAMPLESDIR%%/casscf-sa-sp/Makefile.in +%%EXAMPLESDIR%%/casscf-sa-sp/input.dat +%%EXAMPLESDIR%%/casscf-sa-sp/output.ref +%%EXAMPLESDIR%%/casscf-sa-sp/psi.file14.ref +%%EXAMPLESDIR%%/casscf-sp/Makefile %%EXAMPLESDIR%%/casscf-sp/Makefile.in -%%EXAMPLESDIR%%/casscf-sp/casscf-sp.test.pl -%%EXAMPLESDIR%%/casscf-sp/file14.ref 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+%%PORTDOCS%%%%DOCSDIR%%/progman.pdf +%%PORTDOCS%%%%DOCSDIR%%/userman.pdf +%%PORTDOCS%%share/psi3/pbasis.dat +%%PORTDOCS%%share/psi3/psi.dat +%%PORTDOCS%%@dirrm share/doc/psi3/CINTS +%%PORTDOCS%%@dirrm %%DOCSDIR%% +@dirrm include/libr12 +@dirrm include/libqt +@dirrm include/libpsio +@dirrm include/libiwl +@dirrm include/libipv1 +@dirrm include/libint +@dirrm include/libdpd +@dirrm include/libderiv +@dirrm include/libciomr +@dirrm include/libchkpt +@dirrm include/libbasis @dirrm %%EXAMPLESDIR%%/uhf-stab-follow @dirrm %%EXAMPLESDIR%%/uhf-stab -@dirrm %%EXAMPLESDIR%%/uhf-grad1 @dirrm %%EXAMPLESDIR%%/uhf-lindep1 +@dirrm %%EXAMPLESDIR%%/scf-symm-fc-numer @dirrm %%EXAMPLESDIR%%/scf-polar @dirrm %%EXAMPLESDIR%%/scf-opt9 -@dirrm %%EXAMPLESDIR%%/scf-opt8 @dirrm %%EXAMPLESDIR%%/scf-opt7 @dirrm %%EXAMPLESDIR%%/scf-opt6 @dirrm %%EXAMPLESDIR%%/scf-opt5 @dirrm %%EXAMPLESDIR%%/scf-opt4 @dirrm %%EXAMPLESDIR%%/scf-opt3 +@dirrm %%EXAMPLESDIR%%/scf-opt2-numer @dirrm %%EXAMPLESDIR%%/scf-opt2 +@dirrm %%EXAMPLESDIR%%/scf-opt12 @dirrm %%EXAMPLESDIR%%/scf-opt11 @dirrm %%EXAMPLESDIR%%/scf-opt10 @dirrm %%EXAMPLESDIR%%/scf-opt-numer @dirrm %%EXAMPLESDIR%%/scf-opt -@dirrm %%EXAMPLESDIR%%/scf-freq-symm-numer -@dirrm %%EXAMPLESDIR%%/scf-freq-numer +@dirrm %%EXAMPLESDIR%%/scf-freq-none-5 +@dirrm %%EXAMPLESDIR%%/scf-freq-none-3 +@dirrm %%EXAMPLESDIR%%/scf-freq-first-5 +@dirrm %%EXAMPLESDIR%%/scf-freq-first-3 @dirrm %%EXAMPLESDIR%%/scf-freq +@dirrm %%EXAMPLESDIR%%/scf-fc-numer @dirrm %%EXAMPLESDIR%%/rohf-stab @dirrm %%EXAMPLESDIR%%/rohf-lindep1 -@dirrm %%EXAMPLESDIR%%/rohf-grad1 @dirrm %%EXAMPLESDIR%%/rhf-stab @dirrm %%EXAMPLESDIR%%/rhf-oeprop @dirrm %%EXAMPLESDIR%%/rhf-lindep1 +@dirrm %%EXAMPLESDIR%%/rasscf-sp @dirrm %%EXAMPLESDIR%%/psi_start @dirrm %%EXAMPLESDIR%%/mp2r12-sp1 @dirrm %%EXAMPLESDIR%%/mp2-sp +@dirrm %%EXAMPLESDIR%%/mp2-scs @dirrm %%EXAMPLESDIR%%/mp2-opt-numer +@dirrm %%EXAMPLESDIR%%/mp2-opt @dirrm %%EXAMPLESDIR%%/mp2-oeprop @dirrm %%EXAMPLESDIR%%/mp2-direct-sp +@dirrm %%EXAMPLESDIR%%/fci-trans +@dirrm %%EXAMPLESDIR%%/fci-h2o +@dirrm %%EXAMPLESDIR%%/fci-dipole @dirrm %%EXAMPLESDIR%%/extrema-zmat @dirrm %%EXAMPLESDIR%%/extrema-deloc @dirrm %%EXAMPLESDIR%%/dboc-uhf1 @@ -519,13 +694,45 @@ lib/libPSI_r12.a @dirrm %%EXAMPLESDIR%%/cisd-sp @dirrm %%EXAMPLESDIR%%/cisd-opt-numer @dirrm %%EXAMPLESDIR%%/cis-sp +@dirrm %%EXAMPLESDIR%%/cints-d1eri +@dirrm %%EXAMPLESDIR%%/ci-tdm @dirrm %%EXAMPLESDIR%%/cc9 @dirrm %%EXAMPLESDIR%%/cc8 @dirrm %%EXAMPLESDIR%%/cc7 @dirrm %%EXAMPLESDIR%%/cc6 +@dirrm %%EXAMPLESDIR%%/cc50 @dirrm %%EXAMPLESDIR%%/cc5 +@dirrm %%EXAMPLESDIR%%/cc49 +@dirrm %%EXAMPLESDIR%%/cc48 +@dirrm %%EXAMPLESDIR%%/cc47 +@dirrm %%EXAMPLESDIR%%/cc46 +@dirrm %%EXAMPLESDIR%%/cc45 +@dirrm %%EXAMPLESDIR%%/cc44 +@dirrm %%EXAMPLESDIR%%/cc43 +@dirrm %%EXAMPLESDIR%%/cc42 +@dirrm %%EXAMPLESDIR%%/cc41 +@dirrm %%EXAMPLESDIR%%/cc40 @dirrm %%EXAMPLESDIR%%/cc4 +@dirrm %%EXAMPLESDIR%%/cc39 +@dirrm %%EXAMPLESDIR%%/cc38 +@dirrm %%EXAMPLESDIR%%/cc37 +@dirrm %%EXAMPLESDIR%%/cc36 +@dirrm %%EXAMPLESDIR%%/cc35 +@dirrm %%EXAMPLESDIR%%/cc34 +@dirrm %%EXAMPLESDIR%%/cc33 +@dirrm %%EXAMPLESDIR%%/cc32 +@dirrm %%EXAMPLESDIR%%/cc31 +@dirrm %%EXAMPLESDIR%%/cc30 @dirrm %%EXAMPLESDIR%%/cc3 +@dirrm %%EXAMPLESDIR%%/cc29 +@dirrm %%EXAMPLESDIR%%/cc28 +@dirrm %%EXAMPLESDIR%%/cc27 +@dirrm %%EXAMPLESDIR%%/cc26 +@dirrm %%EXAMPLESDIR%%/cc25 +@dirrm %%EXAMPLESDIR%%/cc24 +@dirrm %%EXAMPLESDIR%%/cc23 +@dirrm %%EXAMPLESDIR%%/cc22 +@dirrm %%EXAMPLESDIR%%/cc21 @dirrm %%EXAMPLESDIR%%/cc2 @dirrm %%EXAMPLESDIR%%/cc19 @dirrm %%EXAMPLESDIR%%/cc18 @@ -539,6 +746,8 @@ lib/libPSI_r12.a @dirrm %%EXAMPLESDIR%%/cc10 @dirrm %%EXAMPLESDIR%%/cc1 @dirrm %%EXAMPLESDIR%%/casscf-sp +@dirrm %%EXAMPLESDIR%%/casscf-sa-sp +@dirrm %%EXAMPLESDIR%%/casscf-fzc-sp @dirrm %%EXAMPLESDIR%%/Basis_Tests @dirrm %%EXAMPLESDIR%% @dirrm %%DATADIR%% |