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authorroot <root@alpha.trunkmasters.com>2026-06-04 16:24:49 -0500
committerroot <root@alpha.trunkmasters.com>2026-06-04 16:24:49 -0500
commita3ceca1b4c0d9bdb550dc23f06ffbb5a8e033bc7 (patch)
tree0c52bbae1c242fbc296bd650fcd1167685f81492 /sci-chemistry/psi
parentbfd9c39e4712ebdb442d4ca0673061faed1e70e1 (diff)
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Adding metadata
Diffstat (limited to 'sci-chemistry/psi')
-rw-r--r--sci-chemistry/psi/Manifest1
-rw-r--r--sci-chemistry/psi/files/3.4.0-destdir.patch41
-rw-r--r--sci-chemistry/psi/files/3.4.0-dont-build-libint.patch13
-rw-r--r--sci-chemistry/psi/files/3.4.0-fortify.patch58
-rw-r--r--sci-chemistry/psi/files/3.4.0-gcc-4.3.patch293
-rw-r--r--sci-chemistry/psi/files/3.4.0-ldflags.patch21
-rw-r--r--sci-chemistry/psi/files/3.4.0-man_paths.patch25
-rw-r--r--sci-chemistry/psi/files/3.4.0-parallel_fix.patch400
-rw-r--r--sci-chemistry/psi/files/psi-3.4.0-C99.patch22
-rw-r--r--sci-chemistry/psi/files/psi-3.4.0-format-security.patch33
-rw-r--r--sci-chemistry/psi/files/psi-3.4.0-parallel-make.patch19
-rw-r--r--sci-chemistry/psi/files/psi-3.4.0-perl-File-Temp.patch14
-rw-r--r--sci-chemistry/psi/files/use-external-libint.patch37
-rw-r--r--sci-chemistry/psi/metadata.xml11
-rw-r--r--sci-chemistry/psi/psi-3.4.0-r3.ebuild89
15 files changed, 0 insertions, 1077 deletions
diff --git a/sci-chemistry/psi/Manifest b/sci-chemistry/psi/Manifest
deleted file mode 100644
index 3dac2d2dedea..000000000000
--- a/sci-chemistry/psi/Manifest
+++ /dev/null
@@ -1 +0,0 @@
-DIST psi-3.4.0.tar.gz 7413072 BLAKE2B de8b5e0fb1692780446385bf13f6b9984f5be8d441730babacf6f59dd18be6e13b1cff17170cec87def1f743d7e634354b57afbc046e6f34c79c9fc52c31b146 SHA512 b13d2464502545cceec3a3b6048b505b918da26730c1614617b04ee6c1d637c9f799ef7fd92ad9554fa2db87617004aa810a6a81400a04df3c06787d51654ca6
diff --git a/sci-chemistry/psi/files/3.4.0-destdir.patch b/sci-chemistry/psi/files/3.4.0-destdir.patch
deleted file mode 100644
index 45db9529aa4d..000000000000
--- a/sci-chemistry/psi/files/3.4.0-destdir.patch
+++ /dev/null
@@ -1,41 +0,0 @@
-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
deleted file mode 100644
index 0d65cee8a1a9..000000000000
--- a/sci-chemistry/psi/files/3.4.0-dont-build-libint.patch
+++ /dev/null
@@ -1,13 +0,0 @@
-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
deleted file mode 100644
index 5f098399ad3f..000000000000
--- a/sci-chemistry/psi/files/3.4.0-fortify.patch
+++ /dev/null
@@ -1,58 +0,0 @@
- 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
deleted file mode 100644
index 8283e6d8d8ea..000000000000
--- a/sci-chemistry/psi/files/3.4.0-gcc-4.3.patch
+++ /dev/null
@@ -1,293 +0,0 @@
-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
deleted file mode 100644
index 41f6bb651120..000000000000
--- a/sci-chemistry/psi/files/3.4.0-ldflags.patch
+++ /dev/null
@@ -1,21 +0,0 @@
-Respect LDFLAGS
-
---- a/configure.ac
-+++ b/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
deleted file mode 100644
index 51917c4decda..000000000000
--- a/sci-chemistry/psi/files/3.4.0-man_paths.patch
+++ /dev/null
@@ -1,25 +0,0 @@
-Fix man paths
-
-http://bugs.gentoo.org/show_bug.cgi?id=326185
-
---- a/src/bin/nonbonded/Makefile.in
-+++ b/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
---- a/src/bin/intder/Makefile.in
-+++ b/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
deleted file mode 100644
index 8c8d8c35121a..000000000000
--- a/sci-chemistry/psi/files/3.4.0-parallel_fix.patch
+++ /dev/null
@@ -1,400 +0,0 @@
---- a/Makefile.in
-+++ b/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 $$dir $@; \
-+ done
-
- tests:
-- (cd tests && echo Running test suite... && $(MAKE)) || exit 1;
-+ $(MAKE) -C tests
-
- testsclean:
-- (cd tests && echo Cleaning test suite... && $(MAKE) clean) || exit 1;
-+ $(MAKE) -C tests clean
-
- doc:
-- (cd doc && echo Building documentation... && $(MAKE)) || exit 1;
-+ $(MAKE) -C doc
-
- $(top_srcdir)/configure: $(top_srcdir)/configure.ac $(top_srcdir)/aclocal.m4
- cd $(top_srcdir) && autoconf
---- a/lib/Makefile.in
-+++ b/lib/Makefile.in
-@@ -31,7 +31,7 @@
- $(INSTALL_DATA) $(srcdir)/psi.dat $(DESTDIR)$(pkgdatadir)
- for dir in $(subdirs); \
- do \
-- (cd $${dir}; echo Making in $${dir}; $(MAKE) install) || exit 1; \
-+ $(MAKE) -C $$dir install; \
- done
-
- install_man: macro.psi
---- a/src/Makefile.in
-+++ b/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 $$dir $@; \
-+ done
-
- top_srcdir = @top_srcdir@
- srcdir = @srcdir@
---- a/src/lib/Makefile.in
-+++ b/src/lib/Makefile.in
-@@ -4,56 +4,10 @@
- subdirs = libipv1 libciomr libchkpt libqt libpsio libiwl libdpd libutil \
- liboptions libmoinfo libbasis libmints
-
--all: default
--
--default:
-- for dir in $(subdirs); \
-- do \
-- (cd $${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
---- a/src/bin/Makefile.in
-+++ b/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 $$dir $@; \
-+ done
-
- top_srcdir = @top_srcdir@
- srcdir = @srcdir@
---- a/src/samples/Makefile.in
-+++ b/src/samples/Makefile.in
-@@ -5,55 +5,10 @@
-
- subdirs = mints
-
--all: default
--
--default:
-- for dir in $(subdirs); \
-- do \
-- (cd $${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@
---- a/src/util/Makefile.in
-+++ b/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@
---- a/src/lib/libipv1/Makefile.in
-+++ b/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-C99.patch b/sci-chemistry/psi/files/psi-3.4.0-C99.patch
deleted file mode 100644
index 798e29fadd96..000000000000
--- a/sci-chemistry/psi/files/psi-3.4.0-C99.patch
+++ /dev/null
@@ -1,22 +0,0 @@
-https://bugs.gentoo.org/886127
-
---- a/src/lib/libipv1/parse.y
-+++ b/src/lib/libipv1/parse.y
-@@ -1,6 +1,7 @@
- %{
- #include <stdio.h>
- #include <tmpl.h>
-+#include "ip_error.gbl"
- #include "ip_types.h"
- #include "ip_read.gbl"
- %}
---- a/src/lib/libipv1/scan.l
-+++ b/src/lib/libipv1/scan.l
-@@ -1,6 +1,7 @@
- %{
- #include <string.h>
- #include <tmpl.h>
-+#include "ip_error.gbl"
- #include "ip_types.h"
- #include "ip_global.h"
- #include "scan.gbl"
diff --git a/sci-chemistry/psi/files/psi-3.4.0-format-security.patch b/sci-chemistry/psi/files/psi-3.4.0-format-security.patch
deleted file mode 100644
index 10efa813ba3d..000000000000
--- a/sci-chemistry/psi/files/psi-3.4.0-format-security.patch
+++ /dev/null
@@ -1,33 +0,0 @@
- src/lib/libmints/matrix.cc | 12 +++++-------
- 1 file changed, 5 insertions(+), 7 deletions(-)
-
-diff --git a/src/lib/libmints/matrix.cc b/src/lib/libmints/matrix.cc
-index 2ce5ede..2c7b5de 100644
---- a/src/lib/libmints/matrix.cc
-+++ b/src/lib/libmints/matrix.cc
-@@ -549,10 +549,9 @@ void Matrix::save(const char *filename, bool append, bool saveLowerTriangle, boo
- } else {
- out = fopen(filename, "w");
- }
--
-- fprintf(out, name_.c_str());
-- fprintf(out, "\n");
--
-+
-+ fprintf(out, "%s\n", name_.c_str());
-+
- if (saveSubBlocks == false) {
- // Convert the matrix to a full matrix
- double **fullblock = to_block_matrix();
-@@ -1083,9 +1082,8 @@ void SimpleMatrix::save(const char *filename, bool append, bool saveLowerTriangl
- } else {
- out = fopen(filename, "w");
- }
--
-- fprintf(out, name_.c_str());
-- fprintf(out, "\n");
-+
-+ fprintf(out, "%s\n", name_.c_str());
-
- if (saveLowerTriangle) {
- // Count the number of non-zero element
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
deleted file mode 100644
index 2805cb195e24..000000000000
--- a/sci-chemistry/psi/files/psi-3.4.0-parallel-make.patch
+++ /dev/null
@@ -1,19 +0,0 @@
-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/psi-3.4.0-perl-File-Temp.patch b/sci-chemistry/psi/files/psi-3.4.0-perl-File-Temp.patch
deleted file mode 100644
index 691567ae0cc1..000000000000
--- a/sci-chemistry/psi/files/psi-3.4.0-perl-File-Temp.patch
+++ /dev/null
@@ -1,14 +0,0 @@
---- a/tests/psitest.pl
-+++ b/tests/psitest.pl
-@@ -2793,9 +2793,9 @@
- {
- # It's better to use File::Temp but it doesn't seem to be installed by default
- # use File::Temp;
-- use POSIX qw(tmpnam);
-+ use File::Temp ();
-
-- my $tempfile = tmpnam();
-+ my $tempfile = File::Temp->new();
- my $psicmd = build_psi_cmd("psi3 -c", 0, $SRC_PATH, $PSITEST_EXEC_PATH, " 1>$tempfile 2>/dev/null");
- my $psi_fail = system($psicmd);
- open(RE, "$tempfile") || die "cannot open $tempfile $!";
diff --git a/sci-chemistry/psi/files/use-external-libint.patch b/sci-chemistry/psi/files/use-external-libint.patch
deleted file mode 100644
index 1d9ce91e3111..000000000000
--- a/sci-chemistry/psi/files/use-external-libint.patch
+++ /dev/null
@@ -1,37 +0,0 @@
---- psi3.orig/src/bin/cints/Makefile.in 2003-11-14 08:15:19.000000000 -0800
-+++ psi3/src/bin/cints/Makefile.in 2006-02-10 22:42:31.000000000 -0800
-@@ -51,25 +51,25 @@
- # and form the list of the libraries. Remember that libderiv and libr12
- # depend on libint, and hence need to come first for GNU ld to work.
- #
--INTLIBS := -lPSI_int
-+INTLIBS := -lint
- ifeq ($(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 $(INTLIBS)
- endif
- endif
-
diff --git a/sci-chemistry/psi/metadata.xml b/sci-chemistry/psi/metadata.xml
deleted file mode 100644
index 34f6bdcc5379..000000000000
--- a/sci-chemistry/psi/metadata.xml
+++ /dev/null
@@ -1,11 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
- <maintainer type="project">
- <email>sci-chemistry@gentoo.org</email>
- <name>Gentoo Chemistry Project</name>
- </maintainer>
- <upstream>
- <remote-id type="sourceforge">psicode</remote-id>
- </upstream>
-</pkgmetadata>
diff --git a/sci-chemistry/psi/psi-3.4.0-r3.ebuild b/sci-chemistry/psi/psi-3.4.0-r3.ebuild
deleted file mode 100644
index aaeed8c8d19c..000000000000
--- a/sci-chemistry/psi/psi-3.4.0-r3.ebuild
+++ /dev/null
@@ -1,89 +0,0 @@
-# Copyright 1999-2024 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-
-inherit autotools fortran-2 toolchain-funcs
-
-DESCRIPTION="Suite for ab initio quantum chemistry computing various molecular properties"
-HOMEPAGE="http://www.psicode.org/"
-SRC_URI="https://downloads.sourceforge.net/psicode/${P}.tar.gz"
-S="${WORKDIR}/${PN}${PV:0:1}"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="amd64 ~x86"
-IUSE="test"
-# psi3/psiclean segfault because tests were never run before
-RESTRICT="test"
-
-RDEPEND="
- !sci-visualization/extrema
- virtual/blas
- virtual/lapack
- >=sci-libs/libint-1.1.4:1"
-DEPEND="${RDEPEND}"
-BDEPEND="
- dev-util/byacc
- virtual/pkgconfig
- test? ( dev-lang/perl )"
-
-PATCHES=(
- "${FILESDIR}"/${PV}-dont-build-libint.patch
- "${FILESDIR}"/use-external-libint.patch
- "${FILESDIR}"/${PV}-gcc-4.3.patch
- "${FILESDIR}"/${PV}-destdir.patch
- "${FILESDIR}"/${P}-parallel-make.patch
- "${FILESDIR}"/${PV}-man_paths.patch
- "${FILESDIR}"/${PV}-ldflags.patch
- "${FILESDIR}"/${PV}-parallel_fix.patch
- "${FILESDIR}"/${PV}-fortify.patch
- "${FILESDIR}"/${P}-format-security.patch
- "${FILESDIR}"/${P}-perl-File-Temp.patch
- "${FILESDIR}"/${P}-C99.patch
-)
-
-src_prepare() {
- default
-
- # Broken test
- sed \
- -e 's:scf-mvd-opt ::g' \
- -e 's:scf-mvd-opt-puream ::g' \
- -i tests/Makefile.in || die
- sed \
- -e "/LIBPATTERNS/d" \
- -i src/{bin,util,samples}/MakeVars.in || die
-
- eautoreconf
-}
-
-src_configure() {
- # This variable gets set sometimes to /usr/lib/src and breaks stuff
- unset CLIBS
-
- econf \
- --with-opt="${CXXFLAGS}" \
- --datadir="${EPREFIX}"/usr/share/${PN} \
- --with-blas="$($(tc-getPKG_CONFIG) --libs blas)" \
- --with-lapack="$($(tc-getPKG_CONFIG) --libs lapack)"
-}
-
-src_compile() {
- emake \
- SCRATCH="${WORKDIR}/libint" \
- DODEPEND="no" \
- YACC=byacc
-}
-
-src_test() {
- emake EXECDIR="${S}"/bin TESTFLAGS="" -j1 tests
-}
-
-src_install() {
- emake DESTDIR="${D}" DODEPEND="no" install
- einstalldocs
-
- # convenience libraries
- rm "${ED}"/usr/$(get_libdir)/*.a || die
-}