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author | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 13:49:04 -0700 |
---|---|---|
committer | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 17:38:18 -0700 |
commit | 56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch) | |
tree | 3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/psi/files | |
download | gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.gz gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.bz2 gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.zip |
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
Diffstat (limited to 'sci-chemistry/psi/files')
-rw-r--r-- | sci-chemistry/psi/files/3.4.0-destdir.patch | 41 | ||||
-rw-r--r-- | sci-chemistry/psi/files/3.4.0-dont-build-libint.patch | 13 | ||||
-rw-r--r-- | sci-chemistry/psi/files/3.4.0-fortify.patch | 58 | ||||
-rw-r--r-- | sci-chemistry/psi/files/3.4.0-gcc-4.3.patch | 293 | ||||
-rw-r--r-- | sci-chemistry/psi/files/3.4.0-ldflags.patch | 21 | ||||
-rw-r--r-- | sci-chemistry/psi/files/3.4.0-man_paths.patch | 25 | ||||
-rw-r--r-- | sci-chemistry/psi/files/3.4.0-parallel_fix.patch | 400 | ||||
-rw-r--r-- | sci-chemistry/psi/files/psi-3.4.0-parallel-make.patch | 19 | ||||
-rw-r--r-- | sci-chemistry/psi/files/use-external-libint.patch | 37 |
9 files changed, 907 insertions, 0 deletions
diff --git a/sci-chemistry/psi/files/3.4.0-destdir.patch b/sci-chemistry/psi/files/3.4.0-destdir.patch new file mode 100644 index 000000000000..45db9529aa4d --- /dev/null +++ b/sci-chemistry/psi/files/3.4.0-destdir.patch @@ -0,0 +1,41 @@ +diff --git a/Makefile.in b/Makefile.in +index aca5a16..2e49f0a 100644 +--- a/Makefile.in ++++ b/Makefile.in +@@ -8,6 +8,7 @@ subdirs = lib include src + + top_srcdir = @top_srcdir@ + srcdir = @srcdir@ ++datarootdir = @datarootdir@ + VPATH = @srcdir@ + top_objdir = . + +diff --git a/lib/ruby/Makefile.in b/lib/ruby/Makefile.in +index b31ce7f..e099e1b 100644 +--- a/lib/ruby/Makefile.in ++++ b/lib/ruby/Makefile.in +@@ -29,10 +29,10 @@ ccenergy.rb cclambda.rb chkpt.rb color.rb deriv2.rb frequ + cceom.rb ccsort.rb cints.rb cphf.rb detci.rb input.rb optking.rb psi3.rb testcases.rb + + install: $(RUBYSRC) +- $(MKDIRS) $(rubydatadir) ++ $(MKDIRS) $(DESTDIR)/$(rubydatadir) + for rbfile in $(RUBYSRC); \ + do \ +- ($(INSTALL_DATA) $(srcdir)/$${rbfile} $(rubydatadir)) || exit 1; \ ++ ($(INSTALL_DATA) $(srcdir)/$${rbfile} $(DESTDIR)/$(rubydatadir)) || exit 1; \ + done + + install_man: +diff --git a/src/bin/Makefile.in b/src/bin/Makefile.in +index e1abb46..4eddf8d 100644 +--- a/src/bin/Makefile.in ++++ b/src/bin/Makefile.in +@@ -65,6 +65,7 @@ targetclean: + + top_srcdir = @top_srcdir@ + srcdir = @srcdir@ ++datarootdir = @datarootdir@ + top_objdir = ../.. + + $(top_srcdir)/configure: $(top_srcdir)/configure.ac $(top_srcdir)/aclocal.m4 diff --git a/sci-chemistry/psi/files/3.4.0-dont-build-libint.patch b/sci-chemistry/psi/files/3.4.0-dont-build-libint.patch new file mode 100644 index 000000000000..0d65cee8a1a9 --- /dev/null +++ b/sci-chemistry/psi/files/3.4.0-dont-build-libint.patch @@ -0,0 +1,13 @@ +diff --git a/src/lib/Makefile.in b/src/lib/Makefile.in +index 42e025d..b098a36 100644 +--- a/src/lib/Makefile.in ++++ b/src/lib/Makefile.in +@@ -2,7 +2,7 @@ + .PHONY: default all install depend clean dclean targetclean + + subdirs = libipv1 libciomr libchkpt libqt libpsio libiwl libdpd libutil \ +- liboptions libmoinfo libint libderiv libr12 libbasis libmints ++ liboptions libmoinfo libbasis libmints + + all: default + diff --git a/sci-chemistry/psi/files/3.4.0-fortify.patch b/sci-chemistry/psi/files/3.4.0-fortify.patch new file mode 100644 index 000000000000..5f098399ad3f --- /dev/null +++ b/sci-chemistry/psi/files/3.4.0-fortify.patch @@ -0,0 +1,58 @@ + src/bin/ccenergy/get_params.cc | 2 +- + src/bin/cclambda/get_params.cc | 2 +- + src/bin/ccresponse/get_params.cc | 2 +- + src/bin/ccsort/get_params.cc | 2 +- + 4 files changed, 4 insertions(+), 4 deletions(-) + +diff --git a/src/bin/ccenergy/get_params.cc b/src/bin/ccenergy/get_params.cc +index 53f4c83..a2fa932 100644 +--- a/src/bin/ccenergy/get_params.cc ++++ b/src/bin/ccenergy/get_params.cc +@@ -193,7 +193,7 @@ void get_params() + } + } + else if(params.local) { +- local.weakp = (char *) malloc(4 * sizeof(char)); ++ local.weakp = (char *) malloc(5 * sizeof(char)); + sprintf(local.weakp, "%s", "NONE"); + } + +diff --git a/src/bin/cclambda/get_params.cc b/src/bin/cclambda/get_params.cc +index 4a9d2c8..8a2ae17 100644 +--- a/src/bin/cclambda/get_params.cc ++++ b/src/bin/cclambda/get_params.cc +@@ -150,7 +150,7 @@ void get_params(void) + } + } + else if(params.local) { +- local.weakp = (char *) malloc(4 * sizeof(char)); ++ local.weakp = (char *) malloc(5 * sizeof(char)); + sprintf(local.weakp, "%s", "NONE"); + } + +diff --git a/src/bin/ccresponse/get_params.cc b/src/bin/ccresponse/get_params.cc +index a96db13..5c40aa0 100644 +--- a/src/bin/ccresponse/get_params.cc ++++ b/src/bin/ccresponse/get_params.cc +@@ -207,7 +207,7 @@ void get_params() + } + } + else if(params.local) { +- local.weakp = (char *) malloc(4 * sizeof(char)); ++ local.weakp = (char *) malloc(5 * sizeof(char)); + sprintf(local.weakp, "%s", "NONE"); + } + +diff --git a/src/bin/ccsort/get_params.cc b/src/bin/ccsort/get_params.cc +index ad7f0c3..6ee1993 100644 +--- a/src/bin/ccsort/get_params.cc ++++ b/src/bin/ccsort/get_params.cc +@@ -120,7 +120,7 @@ void get_params() + } + } + else if(params.local) { +- local.weakp = (char *) malloc(4 * sizeof(char)); ++ local.weakp = (char *) malloc(5 * sizeof(char)); + sprintf(local.weakp, "%s", "NONE"); + } + diff --git a/sci-chemistry/psi/files/3.4.0-gcc-4.3.patch b/sci-chemistry/psi/files/3.4.0-gcc-4.3.patch new file mode 100644 index 000000000000..8283e6d8d8ea --- /dev/null +++ b/sci-chemistry/psi/files/3.4.0-gcc-4.3.patch @@ -0,0 +1,293 @@ +diff --git a/src/bin/mcscf/block_matrix.cc b/src/bin/mcscf/block_matrix.cc +index fe1e131..3ad0bcd 100644 +--- a/src/bin/mcscf/block_matrix.cc ++++ b/src/bin/mcscf/block_matrix.cc +@@ -1,6 +1,7 @@ + #include "block_matrix.h" + #include "matrix_base.h" + #include "memory_manager.h" ++#include <cstdio> + + extern FILE* outfile; + +diff --git a/src/bin/mcscf/block_vector.cc b/src/bin/mcscf/block_vector.cc +index fb383c7..36f55d4 100644 +--- a/src/bin/mcscf/block_vector.cc ++++ b/src/bin/mcscf/block_vector.cc +@@ -1,6 +1,7 @@ + #include "block_vector.h" + #include "vector_base.h" + #include "memory_manager.h" ++#include <cstdio> + + extern FILE* outfile; + +diff --git a/src/bin/mcscf/sblock_matrix.cc b/src/bin/mcscf/sblock_matrix.cc +index 61aa7cc..4da4263 100644 +--- a/src/bin/mcscf/sblock_matrix.cc ++++ b/src/bin/mcscf/sblock_matrix.cc +@@ -1,4 +1,5 @@ + #include <cstdlib> ++#include <cstdio> + #include <psifiles.h> + #include "sblock_matrix.h" + +@@ -103,4 +104,4 @@ void SBlockMatrix::check(const char* cstr) + } + } + +-}} +\ No newline at end of file ++}} +diff --git a/src/bin/mcscf/sblock_vector.cc b/src/bin/mcscf/sblock_vector.cc +index 63c3926..f24fc5b 100644 +--- a/src/bin/mcscf/sblock_vector.cc ++++ b/src/bin/mcscf/sblock_vector.cc +@@ -1,4 +1,5 @@ + #include <cstdlib> ++#include <cstdio> + #include <psifiles.h> + + #include "sblock_vector.h" +@@ -58,4 +59,4 @@ void SBlockVector::check(const char* cstr) + } + } + +-}} +\ No newline at end of file ++}} +diff --git a/src/bin/mcscf/scf.cc b/src/bin/mcscf/scf.cc +index 77318fd..7d1e17f 100644 +--- a/src/bin/mcscf/scf.cc ++++ b/src/bin/mcscf/scf.cc +@@ -5,6 +5,7 @@ + + #include <iostream> + #include <cmath> ++#include <cstdio> + + extern FILE* outfile; + +diff --git a/src/bin/mcscf/scf_Feff.cc b/src/bin/mcscf/scf_Feff.cc +index 584aa83..8a99c3b 100644 +--- a/src/bin/mcscf/scf_Feff.cc ++++ b/src/bin/mcscf/scf_Feff.cc +@@ -1,4 +1,5 @@ + #include <liboptions/liboptions.h> ++#include <cstdio> + + #include "scf.h" + +diff --git a/src/bin/mcscf/scf_canonicalize_MO.cc b/src/bin/mcscf/scf_canonicalize_MO.cc +index a2b3915..96bb6cc 100644 +--- a/src/bin/mcscf/scf_canonicalize_MO.cc ++++ b/src/bin/mcscf/scf_canonicalize_MO.cc +@@ -1,6 +1,7 @@ + #include "scf.h" + + #include <liboptions/liboptions.h> ++#include <cstdio> + + namespace psi{ namespace mcscf{ + +diff --git a/src/bin/mcscf/scf_check_orthonormality.cc b/src/bin/mcscf/scf_check_orthonormality.cc +index 63fbbbb..a13436c 100644 +--- a/src/bin/mcscf/scf_check_orthonormality.cc ++++ b/src/bin/mcscf/scf_check_orthonormality.cc +@@ -1,5 +1,6 @@ + #include <iostream> + #include <cmath> ++#include <cstdio> + + #include "scf.h" + +diff --git a/src/bin/mcscf/scf_compute_energy.cc b/src/bin/mcscf/scf_compute_energy.cc +index fe7ee6d..20194eb 100644 +--- a/src/bin/mcscf/scf_compute_energy.cc ++++ b/src/bin/mcscf/scf_compute_energy.cc +@@ -1,4 +1,5 @@ + #include <iostream> ++#include <cstdio> + + #include "scf.h" + +diff --git a/src/bin/mcscf/scf_diis.cc b/src/bin/mcscf/scf_diis.cc +index 9bcde15..261492a 100644 +--- a/src/bin/mcscf/scf_diis.cc ++++ b/src/bin/mcscf/scf_diis.cc +@@ -1,4 +1,5 @@ + #include <iostream> ++#include <cstdio> + + #include <liboptions/liboptions.h> + +diff --git a/src/bin/mcscf/scf_iterate_scf_equations.cc b/src/bin/mcscf/scf_iterate_scf_equations.cc +index 9e96360..3a3acc3 100644 +--- a/src/bin/mcscf/scf_iterate_scf_equations.cc ++++ b/src/bin/mcscf/scf_iterate_scf_equations.cc +@@ -1,6 +1,7 @@ + #include <cstdlib> + #include <iostream> + #include <cmath> ++#include <cstdio> + + #include <liboptions/liboptions.h> + +diff --git a/src/bin/mcscf/scf_pairs.cc b/src/bin/mcscf/scf_pairs.cc +index b0a8c9d..af5fc35 100644 +--- a/src/bin/mcscf/scf_pairs.cc ++++ b/src/bin/mcscf/scf_pairs.cc +@@ -1,4 +1,5 @@ + #include <iostream> ++#include <cstdio> + + #include <libmoinfo/libmoinfo.h> + +diff --git a/src/bin/mcscf/scf_print_eigenvectors_and_MO.cc b/src/bin/mcscf/scf_print_eigenvectors_and_MO.cc +index 3aac92a..e28e9e3 100644 +--- a/src/bin/mcscf/scf_print_eigenvectors_and_MO.cc ++++ b/src/bin/mcscf/scf_print_eigenvectors_and_MO.cc +@@ -3,6 +3,7 @@ + #include <string> + #include <utility> + #include <algorithm> ++#include <cstdio> + + #include <libmoinfo/libmoinfo.h> + +diff --git a/src/bin/psimrcc/blas_algorithms.cc b/src/bin/psimrcc/blas_algorithms.cc +index bb36025..0a5a3e2 100644 +--- a/src/bin/psimrcc/blas_algorithms.cc ++++ b/src/bin/psimrcc/blas_algorithms.cc +@@ -1,5 +1,6 @@ + #include <libmoinfo/libmoinfo.h> + #include <libutil/libutil.h> ++#include <cstdio> + + #include "blas.h" + #include "memory_manager.h" +diff --git a/src/bin/psimrcc/blas_compatibile.cc b/src/bin/psimrcc/blas_compatibile.cc +index 8de6d73..7caf4f3 100644 +--- a/src/bin/psimrcc/blas_compatibile.cc ++++ b/src/bin/psimrcc/blas_compatibile.cc +@@ -1,6 +1,7 @@ + #include "blas.h" + #include <libutil/libutil.h> + #include <cstdlib> ++#include <cstdio> + + extern FILE *infile, *outfile; + +diff --git a/src/bin/psimrcc/blas_parser.cc b/src/bin/psimrcc/blas_parser.cc +index d211a24..78fe60a 100644 +--- a/src/bin/psimrcc/blas_parser.cc ++++ b/src/bin/psimrcc/blas_parser.cc +@@ -3,6 +3,7 @@ + #include "debugging.h" + #include <libutil/libutil.h> + #include <algorithm> ++#include <cstdio> + + namespace psi{ namespace psimrcc{ + +diff --git a/src/bin/psimrcc/blas_solve.cc b/src/bin/psimrcc/blas_solve.cc +index b138a5b..f5dcdfc 100644 +--- a/src/bin/psimrcc/blas_solve.cc ++++ b/src/bin/psimrcc/blas_solve.cc +@@ -1,6 +1,7 @@ + #include "blas.h" + #include "debugging.h" + #include <libmoinfo/libmoinfo.h> ++#include <cstdio> + + namespace psi{ namespace psimrcc{ + +diff --git a/src/bin/psimrcc/index.cc b/src/bin/psimrcc/index.cc +index 3465d88..68c2b77 100644 +--- a/src/bin/psimrcc/index.cc ++++ b/src/bin/psimrcc/index.cc +@@ -5,6 +5,7 @@ + ***************************************************************************/ + #include <iostream> + #include <algorithm> ++#include <cstdio> + + #include <libmoinfo/libmoinfo.h> + +diff --git a/src/bin/psimrcc/operation.cc b/src/bin/psimrcc/operation.cc +index edbaed5..f4e881f 100644 +--- a/src/bin/psimrcc/operation.cc ++++ b/src/bin/psimrcc/operation.cc +@@ -7,6 +7,7 @@ + #include "debugging.h" + #include "blas.h" + #include <libutil/libutil.h> ++#include <cstdio> + + namespace psi{ namespace psimrcc{ + +diff --git a/src/bin/psimrcc/operation_compute.cc b/src/bin/psimrcc/operation_compute.cc +index 7d2553c..72a1b39 100644 +--- a/src/bin/psimrcc/operation_compute.cc ++++ b/src/bin/psimrcc/operation_compute.cc +@@ -11,6 +11,7 @@ + #include "algebra_interface.h" + #include <libmoinfo/libmoinfo.h> + #include <cstdlib> ++#include <cstdio> + + extern FILE *infile, *outfile; + +diff --git a/src/bin/psimrcc/sort_out_of_core.cc b/src/bin/psimrcc/sort_out_of_core.cc +index 3f255c9..8fa31a3 100644 +--- a/src/bin/psimrcc/sort_out_of_core.cc ++++ b/src/bin/psimrcc/sort_out_of_core.cc +@@ -8,6 +8,7 @@ + #include "sort.h" + #include "matrix.h" + #include <libmoinfo/libmoinfo.h> ++#include <cstdio> + + extern FILE* outfile; + +diff --git a/src/lib/libmoinfo/moinfo_model_space.cc b/src/lib/libmoinfo/moinfo_model_space.cc +index 3bf2030..0a63cde 100644 +--- a/src/lib/libmoinfo/moinfo_model_space.cc ++++ b/src/lib/libmoinfo/moinfo_model_space.cc +@@ -1,6 +1,7 @@ + #include <iostream> + #include <cmath> + #include <cstdlib> ++#include <cstdio> + + #include <psifiles.h> + #include <liboptions/liboptions.h> +@@ -322,4 +323,4 @@ vector<string> MOInfo::get_matrix_names(std::string str) + return(names); + } + +-} +\ No newline at end of file ++} +diff --git a/src/lib/libmoinfo/moinfo_slaterdeterminant.cc b/src/lib/libmoinfo/moinfo_slaterdeterminant.cc +index 8831cd5..a046679 100644 +--- a/src/lib/libmoinfo/moinfo_slaterdeterminant.cc ++++ b/src/lib/libmoinfo/moinfo_slaterdeterminant.cc +@@ -1,4 +1,5 @@ + #include <iostream> ++#include <cstdio> + #include "moinfo.h" + + extern FILE *infile, *outfile; +diff --git a/src/lib/libutil/stl_string.cc b/src/lib/libutil/stl_string.cc +index 0ec247d..f719dcd 100644 +--- a/src/lib/libutil/stl_string.cc ++++ b/src/lib/libutil/stl_string.cc +@@ -2,6 +2,7 @@ + #include <cmath> + #include <iomanip> + #include <algorithm> ++#include <cstdio> + + #include "libutil.h" + diff --git a/sci-chemistry/psi/files/3.4.0-ldflags.patch b/sci-chemistry/psi/files/3.4.0-ldflags.patch new file mode 100644 index 000000000000..9d7f2767e8ec --- /dev/null +++ b/sci-chemistry/psi/files/3.4.0-ldflags.patch @@ -0,0 +1,21 @@ +Respect LDFLAGS + +--- configure.ac ++++ configure.ac +@@ -288,15 +288,13 @@ + ) + AC_SUBST(LDLIBS) + +-LDFLAGS= + LIBDIRS= + AC_ARG_WITH(libdirs, + [ --with-libdirs Specifies library directories (-Ldir1 -Ldir2).], + LIBDIRS=$withval +-LDFLAGS=$withval + AC_MSG_RESULT([Using extra library directories: $withval]) + ) +-AC_SUBST(LDFLAGS) ++AC_SUBST(LIBDIRS) + + AC_CHECK_PROGS(PERL,perl,perl) AC_SUBST(PERL) + diff --git a/sci-chemistry/psi/files/3.4.0-man_paths.patch b/sci-chemistry/psi/files/3.4.0-man_paths.patch new file mode 100644 index 000000000000..02cced160847 --- /dev/null +++ b/sci-chemistry/psi/files/3.4.0-man_paths.patch @@ -0,0 +1,25 @@ +Fix man paths + +http://bugs.gentoo.org/show_bug.cgi?id=326185 + +--- src/bin/nonbonded/Makefile.in ++++ src/bin/nonbonded/Makefile.in +@@ -19,5 +19,5 @@ + endif + + install_man:: nonbonded.1 +- $(MKDIRS) $(mandir)/man1 +- $(INSTALL_INCLUDE) $^ $(mandir)/man1 ++ $(MKDIRS) $(DESTDIR)$(mandir)/man1 ++ $(INSTALL_INCLUDE) $^ $(DESTDIR)$(mandir)/man1 +--- src/bin/intder/Makefile.in ++++ src/bin/intder/Makefile.in +@@ -21,6 +21,6 @@ + endif + + install_man:: intder.1 +- $(MKDIRS) $(mandir)/man1 +- $(INSTALL_INCLUDE) $^ $(mandir)/man1 ++ $(MKDIRS) $(DESTDIR)$(mandir)/man1 ++ $(INSTALL_INCLUDE) $^ $(DESTDIR)$(mandir)/man1 + diff --git a/sci-chemistry/psi/files/3.4.0-parallel_fix.patch b/sci-chemistry/psi/files/3.4.0-parallel_fix.patch new file mode 100644 index 000000000000..65234fb40dcb --- /dev/null +++ b/sci-chemistry/psi/files/3.4.0-parallel_fix.patch @@ -0,0 +1,400 @@ +--- Makefile.in ++++ Makefile.in +@@ -17,62 +17,19 @@ + INSTALL = @INSTALL@ + INSTALL_PROGRAM = @INSTALL_PROGRAM@ + +-all: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making in $${dir} && $(MAKE) all) || exit 1; \ +- done +- +-install: install_host +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making install in $${dir} && $(MAKE) install) || exit 1; \ +- done +- +-install_inc: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making install in $${dir} && $(MAKE) install_inc) || exit 1; \ +- done +- +-install_man: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making install in $${dir} && $(MAKE) install_man) || exit 1; \ +- done +- +-depend: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making depend in $${dir} && $(MAKE) depend) || exit 1; \ +- done +- +-clean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making clean in $${dir} && $(MAKE) clean) || exit 1; \ +- done +- +-dclean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making dclean in $${dir} && $(MAKE) dclean) || exit 1; \ +- done +- +-targetclean: +- for dir in $(subdirs) tests doc; \ +- do \ +- (cd $${dir} && echo Making clean in $${dir} && $(MAKE) targetclean) || exit 1; \ +- done ++all clean install install_inc install_man depend dclean targetclean: ++ for dir in $(subdirs); do \ ++ $(MAKE) -C $$dir $@; \ ++ done + + tests: +- (cd tests && echo Running test suite... && $(MAKE)) || exit 1; ++ $(MAKE) -C tests + + testsclean: +- (cd tests && echo Cleaning test suite... && $(MAKE) clean) || exit 1; ++ $(MAKE) -C tests clean + + doc: +- (cd doc && echo Building documentation... && $(MAKE)) || exit 1; ++ $(MAKE) -C doc + + $(top_srcdir)/configure: $(top_srcdir)/configure.ac $(top_srcdir)/aclocal.m4 + cd $(top_srcdir) && autoconf +--- lib/Makefile.in ++++ lib/Makefile.in +@@ -31,7 +31,7 @@ + $(INSTALL_DATA) $(srcdir)/psi.dat $(DESTDIR)$(pkgdatadir) + for dir in $(subdirs); \ + do \ +- (cd $${dir}; echo Making in $${dir}; $(MAKE) install) || exit 1; \ ++ $(MAKE) -C $$dir install; \ + done + + install_man: macro.psi +--- src/Makefile.in ++++ src/Makefile.in +@@ -6,53 +6,10 @@ + + default: all + +-all: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making in $${dir} && $(MAKE) all) || exit 1; \ +- done +- +-install: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making install in $${dir} && $(MAKE) install) || exit 1; \ +- done +- +-install_inc: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making install in $${dir} && $(MAKE) install_inc) || exit 1; \ +- done +- +-install_man: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making install in $${dir} && $(MAKE) install_man) || exit 1; \ +- done +- +-depend: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making depend in $${dir} && $(MAKE) depend) || exit 1; \ +- done +- +-clean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making clean in $${dir} && $(MAKE) clean) || exit 1; \ +- done +- +-dclean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making dclean in $${dir} && $(MAKE) dclean) || exit 1; \ +- done +- +-targetclean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo Making clean in $${dir} && $(MAKE) targetclean) || exit 1; \ +- done ++all clean install depend dclean targetclean: ++ for dir in $(subdirs); do \ ++ $(MAKE) -C $$dir $@; \ ++ done + + top_srcdir = @top_srcdir@ + srcdir = @srcdir@ +--- src/lib/Makefile.in ++++ src/lib/Makefile.in +@@ -4,56 +4,10 @@ + subdirs = libipv1 libciomr libchkpt libqt libpsio libiwl libdpd libutil \ + liboptions libmoinfo libbasis libmints + +-all: default +- +-default: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making in $${dir} ... && $(MAKE) default) || exit 1; \ +- done +- +-install: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install) || exit 1; \ +- done +- +-install_inc: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install_inc) || exit 1; \ +- done +- +-install_man: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install_man) || exit 1; \ +- done +- +-depend: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making depend in $${dir} ... && $(MAKE) depend) || exit 1; \ +- done +- +-clean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making clean in $${dir} ... && $(MAKE) clean) || exit 1; \ +- done +- +-dclean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making dclean in $${dir} ... && $(MAKE) dclean) || exit 1; \ +- done +- +-targetclean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making clean in $${dir} ... && $(MAKE) targetclean) || exit 1; \ +- done +- ++all clean install install_inc install_man depend dclean targetclean: ++ for dir in $(subdirs); do \ ++ $(MAKE) -C $$dir $@; \ ++ done + + # + # keep the configuration information and makefile up-to-date +--- src/bin/Makefile.in ++++ src/bin/Makefile.in +@@ -13,55 +13,10 @@ + subdirs += psirb + endif + +-all: default +- +-default: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making in $${dir} ... && $(MAKE) default) || exit 1; \ +- done +- +-install: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install) || exit 1; \ +- done +- +-install_inc: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install_inc) || exit 1; \ +- done +- +-install_man: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install_man) || exit 1; \ +- done +- +-depend: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making depend in $${dir} ... && $(MAKE) depend) || exit 1; \ +- done +- +-clean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making clean in $${dir} ... && $(MAKE) clean) || exit 1; \ +- done +- +-dclean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making dclean in $${dir} ... && $(MAKE) dclean) || exit 1; \ +- done +- +-targetclean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making clean in $${dir} ... && $(MAKE) targetclean) || exit 1; \ +- done ++all install depend clean dclean targetclean: ++ for dir in $(subdirs); do \ ++ $(MAKE) -C $$dir $@; \ ++ done + + top_srcdir = @top_srcdir@ + srcdir = @srcdir@ +--- src/samples/Makefile.in ++++ src/samples/Makefile.in +@@ -5,55 +5,10 @@ + + subdirs = mints + +-all: default +- +-default: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making in $${dir} ... && $(MAKE) default) || exit 1; \ +- done +- +-install: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install) || exit 1; \ +- done +- +-install_inc: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install_inc) || exit 1; \ +- done +- +-install_man: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install_man) || exit 1; \ +- done +- +-depend: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making depend in $${dir} ... && $(MAKE) depend) || exit 1; \ +- done +- +-clean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making clean in $${dir} ... && $(MAKE) clean) || exit 1; \ +- done +- +-dclean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making dclean in $${dir} ... && $(MAKE) dclean) || exit 1; \ +- done +- +-targetclean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making clean in $${dir} ... && $(MAKE) targetclean) || exit 1; \ +- done ++all install depend clean dclean targetclean: ++ for dir in $(subdirs); do \ ++ $(MAKE) -C $$dir $@; \ ++ done + + top_srcdir = @top_srcdir@ + srcdir = @srcdir@ +--- src/util/Makefile.in ++++ src/util/Makefile.in +@@ -3,55 +3,10 @@ + + subdirs = tocprint psi2molden + +-all: default +- +-default: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making in $${dir} ... && $(MAKE) default) || exit 1; \ +- done +- +-install: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install) || exit 1; \ +- done +- +-install_inc: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install_inc) || exit 1; \ +- done +- +-install_man: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making install in $${dir} ... && $(MAKE) install_man) || exit 1; \ +- done +- +-depend: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making depend in $${dir} ... && $(MAKE) depend) || exit 1; \ +- done +- +-clean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making clean in $${dir} ... && $(MAKE) clean) || exit 1; \ +- done +- +-dclean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making dclean in $${dir} ... && $(MAKE) dclean) || exit 1; \ +- done +- +-targetclean: +- for dir in $(subdirs); \ +- do \ +- (cd $${dir} && echo ... Making clean in $${dir} ... && $(MAKE) targetclean) || exit 1; \ +- done ++all install depend clean dclean targetclean: ++ for dir in $(subdirs); do \ ++ $(MAKE) -C $$dir $@; \ ++ done + + top_srcdir = @top_srcdir@ + srcdir = @srcdir@ +--- src/lib/libipv1/Makefile.in ++++ src/lib/libipv1/Makefile.in +@@ -58,4 +58,4 @@ + # in case DODEPEND is no + # + +-ip_read.o: y.tab.h ++ip_read.o: y.tab.c y.tab.h diff --git a/sci-chemistry/psi/files/psi-3.4.0-parallel-make.patch b/sci-chemistry/psi/files/psi-3.4.0-parallel-make.patch new file mode 100644 index 000000000000..2805cb195e24 --- /dev/null +++ b/sci-chemistry/psi/files/psi-3.4.0-parallel-make.patch @@ -0,0 +1,19 @@ +diff --git a/src/lib/libipv1/Makefile.in b/src/lib/libipv1/Makefile.in +index eafe8e2..141bf3b 100644 +--- a/src/lib/libipv1/Makefile.in ++++ b/src/lib/libipv1/Makefile.in +@@ -33,10 +33,12 @@ LIBOBJ = $(ALLCSRC:%.c=%.o) $(ALLCXXSRC:%.cc=%.o) + + include ../MakeRules + +-y.tab.c y.tab.h: parse.y ++y.tab.h: y.tab.c ++ ++y.tab.c: parse.y + $(YACC) -v -d $< + +-scan.c: scan.l ++scan.c: scan.l y.tab.h + $(LEX) -t $^ > scan.c + + install_inc:: $(ALLINCLUDE) diff --git a/sci-chemistry/psi/files/use-external-libint.patch b/sci-chemistry/psi/files/use-external-libint.patch new file mode 100644 index 000000000000..1d9ce91e3111 --- /dev/null +++ b/sci-chemistry/psi/files/use-external-libint.patch @@ -0,0 +1,37 @@ +--- psi3.orig/src/bin/cints/Makefile.in 2003-11-14 08:15:19.000000000 -0800 ++++ psi3/src/bin/cints/Makefile.in 2006-02-10 22:42:31.000000000 -0800 +@@ -51,25 +51,25 @@ + # and form the list of the libraries. Remember that libderiv and libr12 + # depend on libint, and hence need to come first for GNU ld to work. + # +-INTLIBS := -lPSI_int ++INTLIBS := -lint + ifeq ($(findstring MP2R12,$(SUBDIRS)),MP2R12) +- ifneq ($(findstring -lPSI_r12,$(INTLIBS)),-lPSI_r12) +- INTLIBS := -lPSI_r12 $(INTLIBS) ++ ifneq ($(findstring -lr12,$(INTLIBS)),-lr12) ++ INTLIBS := -lr12 $(INTLIBS) + endif + endif + ifeq ($(findstring R12_Ints,$(SUBDIRS)),R12_Ints) +- ifneq ($(findstring -lPSI_r12,$(INTLIBS)),-lPSI_r12) +- INTLIBS := -lPSI_r12 $(INTLIBS) ++ ifneq ($(findstring -lr12,$(INTLIBS)),-lr12) ++ INTLIBS := -lr12 $(INTLIBS) + endif + endif + ifeq ($(findstring Default_Deriv1,$(SUBDIRS)),Default_Deriv1) +- ifneq ($(findstring -lPSI_deriv,$(INTLIBS)),-lPSI_deriv) +- INTLIBS := -lPSI_deriv $(INTLIBS) ++ ifneq ($(findstring -lderiv,$(INTLIBS)),-lderiv) ++ INTLIBS := -lderiv $(INTLIBS) + endif + endif + ifeq ($(findstring Default_Deriv2,$(SUBDIRS)),Default_Deriv2) +- ifneq ($(findstring -lderiv,$(INTLIBS)),-lPSI_deriv) +- INTLIBS := -lPSI_deriv $(INTLIBS) ++ ifneq ($(findstring -lderiv,$(INTLIBS)),-lderiv) ++ INTLIBS := -lderiv $(INTLIBS) + endif + endif + |