sci-chemistry / mpqc

The Massively Parallel Quantum Chemistry Program

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

v2.3.1-r4 :: 0 :: gentoo

Modified
License
GPL-2
Keywords
~amd64 ~ppc ~ppc64 ~x86
USE flags
doc mpi threads tk

General

doc
Add extra documentation (API, Javadoc, etc). It is recommended to enable per package instead of globally
mpi
Add MPI (Message Passing Interface) layer to the apps that support it
threads
Add threads support for various packages. Usually pthreads
tk
Add support for Tk GUI toolkit

dev-lang / tk : Tk Widget Set

virtual / blas : Virtual for FORTRAN 77 BLAS implementation

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

virtual / mpi : Virtual for Message Passing Interface (MPI) v2.0 implementation

dev-lang / tk : Tk Widget Set

virtual / blas : Virtual for FORTRAN 77 BLAS implementation

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

virtual / mpi : Virtual for Message Passing Interface (MPI) v2.0 implementation

595724
sci-chemistry/mpqc-2.3.1-r4 : ../.../lapack.h:2:41: fatal error: chemistry/.../f77sym.h: No such file or directory
662724
sci-chemistry/mpqc-2.3.1-r4 : make[4]: O2: Command not found
741316
sci-chemistry/mpqc-2.3.1-r4 fails tests
832298
sci-chemistry/mpqc-2.3.1-r4 calls commands that do not exist
832770
sci-chemistry/mpqc-2.3.1-r4 - /.../ld: .../libint.a(init_libint.o): relocation R_X86_64_PC32 against symbol build_eri can not be u
879755
sci-chemistry/mpqc: possible configure breakage with Clang 16
886107
sci-chemistry/mpqc-2.3.1-r4 fails to compile (CLANG-STRICTER-SYSTEM): x86_64-pc-linux-gnu-ld.bfd: libSCdft.so: undefined reference to sc::SCF::init_threads()
898134
sci-chemistry/mpqc-2.3.1-r4 fails to compile (MUSL-CLANG-SYSTEM): configure: error: could not determine F77 symbol names
Repository mirror & CI · gentoo
Merge updates from master
Lucio Sauer · gentoo
*/*: inline mirror://sourceforge
bump copyright of touched ebuilds to 2024 Signed-off-by: Lucio Sauer <watermanpaint@posteo.net> Signed-off-by: Michał Górny <mgorny@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Michał Górny · gentoo
Move {app-doc → app-text}/doxygen
Per the category metadata, app-doc/ is reserved for documentation *files* and not software. Move it to app-text/ where it seems a better fit. Signed-off-by: Michał Górny <mgorny@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Sam James · gentoo
sci-chemistry/mpqc: sys-devel/flex -> app-alternatives/lex
All of these will be using app-alternatives/lex anyway as they're not unsetting YACC or LEX, so make the dep reflect reality. (Included both YACC and LEX out of conservatism.) Signed-off-by: Sam James <sam@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
David Seifert · gentoo
sci-chemistry/mpqc: fix build system and MPI
Closes: https://bugs.gentoo.org/710822 Closes: https://bugs.gentoo.org/801682 Signed-off-by: David Seifert <soap@gentoo.org>
David Seifert · gentoo
sci-chemistry/mpqc: Remove old
Package-Manager: Portage-2.3.29, Repoman-2.3.9
Robin H. Johnson · gentoo
Drop $Id$ per council decision in bug #611234.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
David Seifert · gentoo
sci-chemistry/mpqc: Fix -Werror=format-security errors
Gentoo-Bug: 542278 Also update to EAPI=6. Package-Manager: portage-2.2.27
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