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Libint is a library for evaluating ERI (electron replusion integral)

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over Cartesian Gaussian fuctions for modern atomic and molecular theory;
esp. for science/mpqc and science/psi3.
This commit is contained in:
Maho Nakata 2006-12-29 07:41:44 +00:00
parent 004b4683a8
commit f64ff61007
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=180944
5 changed files with 60 additions and 0 deletions
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1
science/Makefile
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@ -57,6 +57,7 @@
SUBDIR += lamprop
SUBDIR += libctl
SUBDIR += libghemical
SUBDIR += libint
SUBDIR += libsvm
SUBDIR += libsvm-python
SUBDIR += linsmith

34
science/libint/Makefile Normal file
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@ -0,0 +1,34 @@
# New ports collection makefile for: libint
# Date created: 29 Dec 2006
# Whom: NAKATA, Maho <maho@FreeBSD.org>
#
# $FreeBSD$
#
PORTNAME= libint
PORTVERSION= 1.1.2
CATEGORIES= science
MASTER_SITES= http://www.ccmst.gatech.edu/evaleev/libint/src/
MAINTAINER= maho@FreeBSD.org
COMMENT= Evaluate the integrals in modern atomic and molecular theory
USE_PERL5= yes
USE_GMAKE= yes
USE_LDCONFIG= yes
ALL_TARGET= # empty
.include <bsd.port.pre.mk>
GNU_CONFIGURE= yes
CONFIGURE_ARGS+=--enable-shared
post-install:
@${MV} ${PREFIX}/lib/libderiv-stable.so ${PREFIX}/lib/libderiv.so
@${MV} ${PREFIX}/lib/libderiv-stable.so.1 ${PREFIX}/lib/libderiv.so.1
@${MV} ${PREFIX}/lib/libint-stable.so ${PREFIX}/lib/libint.so
@${MV} ${PREFIX}/lib/libint-stable.so.1 ${PREFIX}/lib/libint.so.1
@${MV} ${PREFIX}/lib/libr12-stable.so ${PREFIX}/lib/libr12.so
@${MV} ${PREFIX}/lib/libr12-stable.so.1 ${PREFIX}/lib/libr12.so.1
.include <bsd.port.post.mk>

3
science/libint/distinfo Normal file
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@ -0,0 +1,3 @@
MD5 (libint-1.1.2.tar.gz) = df23c63d46be7dd88a70a39e98f67d34
SHA256 (libint-1.1.2.tar.gz) = b65d035a1a1dfb917d0777f5cd9cf7b7eee94aaf69563e21f2d7a6048bbf283b
SIZE (libint-1.1.2.tar.gz) = 376882

5
science/libint/pkg-descr Normal file
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@ -0,0 +1,5 @@
Libint is a library for evaluating ERI (electron replusion integral)
over Cartesian Gaussian fuctions for modern atomic and molecular theory;
esp. for science/mpqc and science/psi3.
WWW: http://www.ccmst.gatech.edu/evaleev/libint/

17
science/libint/pkg-plist Normal file
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@ -0,0 +1,17 @@
include/libderiv/libderiv.h
include/libint/hrr_header.h
include/libint/libint.h
include/libint/vrr_header.h
include/libr12/libr12.h
@dirrm include/libderiv
@dirrm include/libint
@dirrm include/libr12
lib/libderiv.a
lib/libderiv.la
lib/libderiv.so.1
lib/libint.a
lib/libint.la
lib/libint.so.1
lib/libr12.a
lib/libr12.la
lib/libr12.so.1