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authorYing-Chieh Liao <ijliao@FreeBSD.org>2002-06-17 19:39:34 +0000
committerYing-Chieh Liao <ijliao@FreeBSD.org>2002-06-17 19:39:34 +0000
commit2feca7e178ea59b36aa01a766019d10c64ea4ece (patch)
tree125b1df2abe7208b62ba7173e728babf3b99e10b /science
parentbe24882e493982403653d702565bdb2f35984ef7 (diff)
downloadports-2feca7e178ea59b36aa01a766019d10c64ea4ece.tar.gz
ports-2feca7e178ea59b36aa01a766019d10c64ea4ece.zip
Notes
Diffstat (limited to 'science')
-rw-r--r--science/mpqc/Makefile14
-rw-r--r--science/mpqc/distinfo2
-rw-r--r--science/mpqc/pkg-plist134
3 files changed, 79 insertions, 71 deletions
diff --git a/science/mpqc/Makefile b/science/mpqc/Makefile
index ddfcc0e97301..0280e5c08764 100644
--- a/science/mpqc/Makefile
+++ b/science/mpqc/Makefile
@@ -6,19 +6,23 @@
#
PORTNAME= mpqc
-PORTVERSION= 1.2.5
+PORTVERSION= 2.1.1
CATEGORIES= science
MASTER_SITES= http://aros.ca.sandia.gov/~cljanss/mpqc/distrib/
MAINTAINER= batman@udel.edu
-BROKEN= "Does not build"
-
-BUILD_DEPENDS= bison:${PORTSDIR}/devel/bison
+LIB_DEPENDS= blas:${PORTSDIR}/math/blas \
+ lapack:${PORTSDIR}/math/lapack
+USE_BISON= yes
GNU_CONFIGURE= yes
+CONFIGURE_ARGS= --with-libdirs=-L${LOCALBASE}/lib
USE_PERL5= yes
USE_GMAKE= yes
-ALL_TARGET?=
+ALL_TARGET= # empty
+
+post-patch:
+ @${PERL} -pi -e "s,-lpthreads,${PTHREAD_LIBS},g" ${WRKSRC}/configure
.include <bsd.port.mk>
diff --git a/science/mpqc/distinfo b/science/mpqc/distinfo
index 576c72ca43fd..21596af00f8b 100644
--- a/science/mpqc/distinfo
+++ b/science/mpqc/distinfo
@@ -1 +1 @@
-MD5 (mpqc-1.2.5.tar.gz) = acc3af0697a2fcd5ccac96ea32591821
+MD5 (mpqc-2.1.1.tar.gz) = 0294566b7c227a1c41990862e58e9e4d
diff --git a/science/mpqc/pkg-plist b/science/mpqc/pkg-plist
index f8ef4e58a92a..80ea492b9e00 100644
--- a/science/mpqc/pkg-plist
+++ b/science/mpqc/pkg-plist
@@ -1,67 +1,71 @@
-bin/sc-config
+bin/chkmpqcout
+bin/molrender
bin/mpqc
-bin/scpr
bin/scls
-lib/basis/3-21PPg.kv
-lib/basis/3-21PPgS.kv
-lib/basis/3-21g.kv
-lib/basis/3-21gS.kv
-lib/basis/4-31g.kv
-lib/basis/4-31gS.kv
-lib/basis/4-31gSS.kv
-lib/basis/6-311PPgL2d_2pR.kv
-lib/basis/6-311PPgL3df_3pdR.kv
-lib/basis/6-311PPgSS.kv
-lib/basis/6-311g.kv
-lib/basis/6-311gL2df_2pdR.kv
-lib/basis/6-311gS.kv
-lib/basis/6-311gSS.kv
-lib/basis/6-31PPg.kv
-lib/basis/6-31PPgS.kv
-lib/basis/6-31PPgSS.kv
-lib/basis/6-31PgS.kv
-lib/basis/6-31g.kv
-lib/basis/6-31gS.kv
-lib/basis/6-31gSS.kv
-lib/basis/aug-cc-pcv5z.kv
-lib/basis/aug-cc-pcvdz.kv
-lib/basis/aug-cc-pcvqz.kv
-lib/basis/aug-cc-pcvtz.kv
-lib/basis/aug-cc-pv5z.kv
-lib/basis/aug-cc-pv6z.kv
-lib/basis/aug-cc-pvdz.kv
-lib/basis/aug-cc-pvqz.kv
-lib/basis/aug-cc-pvtz.kv
-lib/basis/cc-pcv5z.kv
-lib/basis/cc-pcvdz.kv
-lib/basis/cc-pcvqz.kv
-lib/basis/cc-pcvtz.kv
-lib/basis/cc-pv5z.kv
-lib/basis/cc-pv6z.kv
-lib/basis/cc-pvdz.kv
-lib/basis/cc-pvqz.kv
-lib/basis/cc-pvtz.kv
-lib/basis/dz_LdunningR.kv
-lib/basis/dzp_LdunningR.kv
-lib/basis/dzp_P_diffuse_LdunningR.kv
-lib/basis/midi_LhuzinagaR.kv
-lib/basis/sto-2g.kv
-lib/basis/mini_LhuzinagaR.kv
-lib/basis/mini_LscaledR.kv
-lib/basis/nasa_ames_ano.kv
-lib/basis/sto-3g.kv
-lib/basis/sto-3gS.kv
-lib/basis/sto-6g.kv
-lib/basis/tz_LdunningR.kv
-lib/elisp/SC.el
-lib/elisp/compile.el
-lib/elisp/keyval.el
-lib/elisp/mpqc.el
-lib/perl/Molecule.pm
-lib/perl/QCParse.pm
-lib/perl/QCResult.pm
-lib/atominfo.kv
-lib/magic
-@dirrm lib/basis
-@dirrm lib/elisp
-@dirrm lib/perl
+bin/scpr
+bin/tkmolrender
+share/mpqc/2.1.1/basis/3-21PPg.kv
+share/mpqc/2.1.1/basis/3-21PPgS.kv
+share/mpqc/2.1.1/basis/3-21g.kv
+share/mpqc/2.1.1/basis/3-21gS.kv
+share/mpqc/2.1.1/basis/4-31g.kv
+share/mpqc/2.1.1/basis/4-31gS.kv
+share/mpqc/2.1.1/basis/4-31gSS.kv
+share/mpqc/2.1.1/basis/6-311PPgL2d_2pR.kv
+share/mpqc/2.1.1/basis/6-311PPgL3df_3pdR.kv
+share/mpqc/2.1.1/basis/6-311PPgSS.kv
+share/mpqc/2.1.1/basis/6-311g.kv
+share/mpqc/2.1.1/basis/6-311gL2df_2pdR.kv
+share/mpqc/2.1.1/basis/6-311gS.kv
+share/mpqc/2.1.1/basis/6-311gSS.kv
+share/mpqc/2.1.1/basis/6-31PPg.kv
+share/mpqc/2.1.1/basis/6-31PPgS.kv
+share/mpqc/2.1.1/basis/6-31PPgSS.kv
+share/mpqc/2.1.1/basis/6-31PgS.kv
+share/mpqc/2.1.1/basis/6-31g.kv
+share/mpqc/2.1.1/basis/6-31gS.kv
+share/mpqc/2.1.1/basis/6-31gSS.kv
+share/mpqc/2.1.1/basis/aug-cc-pcv5z.kv
+share/mpqc/2.1.1/basis/aug-cc-pcvdz.kv
+share/mpqc/2.1.1/basis/aug-cc-pcvqz.kv
+share/mpqc/2.1.1/basis/aug-cc-pcvtz.kv
+share/mpqc/2.1.1/basis/aug-cc-pv5z.kv
+share/mpqc/2.1.1/basis/aug-cc-pv6z.kv
+share/mpqc/2.1.1/basis/aug-cc-pvdz.kv
+share/mpqc/2.1.1/basis/aug-cc-pvqz.kv
+share/mpqc/2.1.1/basis/aug-cc-pvtz.kv
+share/mpqc/2.1.1/basis/cc-pcv5z.kv
+share/mpqc/2.1.1/basis/cc-pcvdz.kv
+share/mpqc/2.1.1/basis/cc-pcvqz.kv
+share/mpqc/2.1.1/basis/cc-pcvtz.kv
+share/mpqc/2.1.1/basis/cc-pv5z.kv
+share/mpqc/2.1.1/basis/cc-pv6z.kv
+share/mpqc/2.1.1/basis/cc-pvdz.kv
+share/mpqc/2.1.1/basis/cc-pvqz.kv
+share/mpqc/2.1.1/basis/cc-pvtz.kv
+share/mpqc/2.1.1/basis/dz_LdunningR.kv
+share/mpqc/2.1.1/basis/dzp_LdunningR.kv
+share/mpqc/2.1.1/basis/dzp_P_diffuse_LdunningR.kv
+share/mpqc/2.1.1/basis/midi_LhuzinagaR.kv
+share/mpqc/2.1.1/basis/mini_LhuzinagaR.kv
+share/mpqc/2.1.1/basis/mini_LscaledR.kv
+share/mpqc/2.1.1/basis/nasa_ames_ano.kv
+share/mpqc/2.1.1/basis/sto-2g.kv
+share/mpqc/2.1.1/basis/sto-3g.kv
+share/mpqc/2.1.1/basis/sto-3gS.kv
+share/mpqc/2.1.1/basis/sto-6g.kv
+share/mpqc/2.1.1/basis/tz_LdunningR.kv
+share/mpqc/2.1.1/elisp/SC.el
+share/mpqc/2.1.1/elisp/compile.el
+share/mpqc/2.1.1/elisp/keyval.el
+share/mpqc/2.1.1/elisp/mpqc.el
+share/mpqc/2.1.1/perl/Molecule.pm
+share/mpqc/2.1.1/perl/QCParse.pm
+share/mpqc/2.1.1/perl/QCResult.pm
+share/mpqc/2.1.1/atominfo.kv
+share/mpqc/2.1.1/magic
+@dirrm share/mpqc/2.1.1/basis
+@dirrm share/mpqc/2.1.1/elisp
+@dirrm share/mpqc/2.1.1/perl
+@dirrm share/mpqc/2.1.1
+@dirrm share/mpqc