sci-chemistry / psi

Suite for ab initio quantum chemistry computing various molecular properties

Official package sites : http://www.psicode.org/ ·

v3.4.0-r2 :: 0 :: gentoo

Modified
License
GPL-2
Keywords
amd64 x86
USE flags
static-libs test

General

static-libs
Build static versions of dynamic libraries as well
test
Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)

app-portage / elt-patches : Collection of patches for libtool.eclass

dev-lang / perl : Larry Wall's Practical Extraction and Report Language

dev-util / byacc : the best variant of the Yacc parser generator

sci-libs / libint : Matrix elements (integrals) evaluation over Cartesian Gaussian functions

virtual / blas : Virtual for FORTRAN 77 BLAS implementation

virtual / fortran : Virtual for Fortran Compiler

virtual / lapack : Virtual for Linear Algebra Package FORTRAN 77 (LAPACK) implementation

virtual / pkgconfig : Virtual for the pkg-config implementation

sci-libs / libint : Matrix elements (integrals) evaluation over Cartesian Gaussian functions

virtual / blas : Virtual for FORTRAN 77 BLAS implementation

virtual / fortran : Virtual for Fortran Compiler

virtual / lapack : Virtual for Linear Algebra Package FORTRAN 77 (LAPACK) implementation

465124
sci-chemistry/psi-4.0 version bump
682820
sci-chemistry/psi-3.4.0-r2 : QA Notice: Unrecognized configure options:
689004
sci-chemistry/psi-3.4.0-r2 : configure: error: Did not find a BLAS library.
Robin H. Johnson · gentoo
Drop $Id$ per council decision in bug #611234.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
Justin Lecher · gentoo
sci-chemistry/psi: Chop DESCRIPTION to 80 chars
Package-Manager: portage-2.2.27 Signed-off-by: Justin Lecher <jlec@gentoo.org>
Justin Lecher · gentoo
sci-chemistry/psi: Fix multiple build failures
* Use byacc instead of bison * Depend on correct SLOT of libint * Fix format-security problems Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=430588 Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=574068 Package-Manager: portage-2.2.27 Signed-off-by: Justin Lecher <jlec@gentoo.org>
Robin H. Johnson · gentoo
proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed