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| author | root <root@alpha.trunkmasters.com> | 2026-06-04 16:24:49 -0500 |
|---|---|---|
| committer | root <root@alpha.trunkmasters.com> | 2026-06-04 16:24:49 -0500 |
| commit | a3ceca1b4c0d9bdb550dc23f06ffbb5a8e033bc7 (patch) | |
| tree | 0c52bbae1c242fbc296bd650fcd1167685f81492 /sci-chemistry/psi | |
| parent | bfd9c39e4712ebdb442d4ca0673061faed1e70e1 (diff) | |
| download | baldeagleos-repo-a3ceca1b4c0d9bdb550dc23f06ffbb5a8e033bc7.tar.gz baldeagleos-repo-a3ceca1b4c0d9bdb550dc23f06ffbb5a8e033bc7.tar.xz baldeagleos-repo-a3ceca1b4c0d9bdb550dc23f06ffbb5a8e033bc7.zip | |
Adding metadata
Diffstat (limited to 'sci-chemistry/psi')
| -rw-r--r-- | sci-chemistry/psi/Manifest | 1 | ||||
| -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-C99.patch | 22 | ||||
| -rw-r--r-- | sci-chemistry/psi/files/psi-3.4.0-format-security.patch | 33 | ||||
| -rw-r--r-- | sci-chemistry/psi/files/psi-3.4.0-parallel-make.patch | 19 | ||||
| -rw-r--r-- | sci-chemistry/psi/files/psi-3.4.0-perl-File-Temp.patch | 14 | ||||
| -rw-r--r-- | sci-chemistry/psi/files/use-external-libint.patch | 37 | ||||
| -rw-r--r-- | sci-chemistry/psi/metadata.xml | 11 | ||||
| -rw-r--r-- | sci-chemistry/psi/psi-3.4.0-r3.ebuild | 89 |
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 -} |
