Adding metadata

9 files changed, 0 insertions, 479 deletions

diff --git a/sci-chemistry/mpqc/Manifest b/sci-chemistry/mpqc/Manifest
deleted file mode 100644
index 014f43df34f4..000000000000
--- a/sci-chemistry/mpqc/Manifest
+++ /dev/null
@@ -1 +0,0 @@
-DIST mpqc-2.3.1.tar.bz2 2521392 BLAKE2B 0c2cd9ac2fe32791ab5f0226972b5f1376e5f0ed368e12f6e89f8ff44cb11e4e2cf150f24b3768eb119e94289aca989a5287fef9b51dbd67e2856e944b61c299 SHA512 34f24f72c6c0024e72d47c7fd17927ca2a88020b30d22a791954fbc933f67ed6dd6741ee8a80ddd4fdb007f1a357b5f5ea7fc284cab85474bf60e9f29aaaa747
diff --git a/sci-chemistry/mpqc/files/mpqc-2.3.1-MPI-3.0.patch b/sci-chemistry/mpqc/files/mpqc-2.3.1-MPI-3.0.patch
deleted file mode 100644
index d03d1f9b0566..000000000000
--- a/sci-chemistry/mpqc/files/mpqc-2.3.1-MPI-3.0.patch
+++ /dev/null
@@ -1,37 +0,0 @@
-https://bugs.gentoo.org/801682
-rename MPI 1.0 to 3.0+ functions:
-- MPI_Errhandler_set -> MPI_Comm_set_errhandler
-
---- a/src/lib/util/group/memmtmpi.cc
-+++ b/src/lib/util/group/memmtmpi.cc
-@@ -241,8 +241,8 @@
-   MPI_Comm_dup(comm, &comp_comm_);
-   MPI_Comm_dup(comm, &comm_comm_);
- 
--  MPI_Errhandler_set(comp_comm_, MPI_ERRORS_ARE_FATAL);
--  MPI_Errhandler_set(comm_comm_, MPI_ERRORS_ARE_FATAL);
-+  MPI_Comm_set_errhandler(comp_comm_, MPI_ERRORS_ARE_FATAL);
-+  MPI_Comm_set_errhandler(comm_comm_, MPI_ERRORS_ARE_FATAL);
- 
-   serial_ = 0;
-   req_tag_ = 15001;
---- a/src/lib/util/group/messmpi.cc
-+++ b/src/lib/util/group/messmpi.cc
-@@ -129,7 +129,7 @@
-   if (keyval->booleanvalue("errors_return")) {
-       if (me()==0)
-           ExEnv::outn() << indent << "MPIMessageGrp: errors_return is true" << endl;
--      MPI_Errhandler_set(commgrp, MPI_ERRORS_RETURN);
-+      MPI_Comm_set_errhandler(commgrp, MPI_ERRORS_RETURN);
-     }
- 
-   if (debug_) {
-@@ -200,7 +200,7 @@
-   MPI_Comm_dup(comm, &commgrp);
-   global_commgrp = commgrp;
- 
--  MPI_Errhandler_set(commgrp, MPI_ERRORS_ARE_FATAL);
-+  MPI_Comm_set_errhandler(commgrp, MPI_ERRORS_ARE_FATAL);
- 
-    if (!nmpi_grps) {
-       threadgrp = ThreadGrp::get_default_threadgrp();
diff --git a/sci-chemistry/mpqc/files/mpqc-2.3.1-as-needed.patch b/sci-chemistry/mpqc/files/mpqc-2.3.1-as-needed.patch
deleted file mode 100644
index a917c0aaff70..000000000000
--- a/sci-chemistry/mpqc/files/mpqc-2.3.1-as-needed.patch
+++ /dev/null
@@ -1,163 +0,0 @@
---- mpqc-2.3.1.orig/src/lib/chemistry/molecule/Makefile	2005-05-26 08:00:29.000000000 +0200
-+++ mpqc-2.3.1/src/lib/chemistry/molecule/Makefile	2010-02-13 14:28:46.514285918 +0100
-@@ -66,6 +66,12 @@
- interface:: $(DEPENDINCLUDE)
- 
- LIBS = $(shell $(LISTLIBS) $(INCLUDE) $(SRCDIR)/LIBS.h)
-+LIBADD = $(SRCDIR)/$(TOPDIR)/lib/libSCcontainer.la \
-+	$(SRCDIR)/$(TOPDIR)/lib/libSCclass.la \
-+	$(SRCDIR)/$(TOPDIR)/lib/libSCkeyval.la \
-+	$(SRCDIR)/$(TOPDIR)/lib/libSCoptimize.la \
-+	$(SRCDIR)/$(TOPDIR)/lib/libSCscmat.la \
-+	$(SRCDIR)/$(TOPDIR)/lib/libSCsymmetry.la
- 
- LD = $(CXX)
- 
---- mpqc-2.3.1.orig/src/lib/chemistry/qc/wfn/Makefile	2004-06-12 06:50:35.000000000 +0200
-+++ mpqc-2.3.1/src/lib/chemistry/qc/wfn/Makefile	2010-02-13 14:20:06.911896080 +0100
-@@ -48,6 +48,12 @@
- 
- LIBS = $(shell $(LISTLIBS) $(INCLUDE) $(SRCDIR)/../dft/LIBS.h)
- 
-+LIBADD = $(SRCDIR)/$(TOPDIR)/lib/libSCisosurf.la \
-+	$(SRCDIR)/$(TOPDIR)/lib/libSCsolvent.la \
-+	$(SRCDIR)/$(TOPDIR)/lib/libSCbasis.la \
-+	$(SRCDIR)/$(TOPDIR)/lib/libSCdft.la \
-+	$(SRCDIR)/$(TOPDIR)/lib/libSCintv3.la
-+
- wfntest:: wfntest.$(OBJSUF) $(LIBS)
- 	$(LTLINK) $(CXX) $(LDFLAGS) -o wfntest $^ $(SYSLIBS) $(LTLINKBINOPTS)
- 
---- mpqc-2.3.1.orig/src/lib/chemistry/qc/intv3/Makefile	2002-04-04 01:08:04.000000000 +0200
-+++ mpqc-2.3.1/src/lib/chemistry/qc/intv3/Makefile	2010-02-13 14:04:15.393432311 +0100
-@@ -52,6 +52,8 @@
- LIBOBJ = $(LIBSRC:%.c=%.$(OBJSUF))
- LIBOBJ := $(LIBOBJ:%.cc=%.$(OBJSUF))
- 
-+LIBADD = $(SRCDIR)/$(TOPDIR)/lib/libSCoint3.la
-+
- DISTFILES = $(TESTCSRC) $(INC) atoms.sgen Makefile LIBS.h
- 
- DEPENDINCLUDE = $(INC) $(GENINC) $(SGENINC)
---- mpqc-2.3.1.orig/src/lib/chemistry/qc/mbpt/Makefile	2005-07-07 17:54:05.000000000 +0200
-+++ mpqc-2.3.1/src/lib/chemistry/qc/mbpt/Makefile	2010-02-13 14:12:38.975370147 +0100
-@@ -44,6 +44,7 @@
- CSRCS = bzerofast.c
- 
- LIBOBJ= $(CXXSRCS:%.cc=%.$(OBJSUF)) $(CSRCS:%.c=%.$(OBJSUF))
-+LIBADD= $(SRCDIR)/$(TOPDIR)/lib/libSCsymmetry.la
- 
- default:: $(DEPENDINCLUDE)
- 
---- mpqc-2.3.1.orig/src/lib/chemistry/qc/basis/Makefile	2004-02-11 01:24:43.000000000 +0100
-+++ mpqc-2.3.1/src/lib/chemistry/qc/basis/Makefile	2010-02-13 14:04:15.395432868 +0100
-@@ -59,6 +59,7 @@
- DISTFILES = $(CXXSRC) $(INC) Makefile $(TESTSRC) $(TESTFILES)
- 
- LIBOBJ= $(CXXSRC:%.cc=%.$(OBJSUF))
-+LIBADD = $(SYSLIBS)
- 
- default:: $(DEPENDINCLUDE)
- 
---- mpqc-2.3.1.orig/src/lib/math/scmat/Makefile	2003-09-16 17:07:03.000000000 +0200
-+++ mpqc-2.3.1/src/lib/math/scmat/Makefile	2010-02-13 14:27:36.028370446 +0100
-@@ -75,6 +75,8 @@
- DISTFILES = $(CXXSRC) $(INC) scmat.h $(WEBSRC) Makefile LIBS.h \
-             $(TESTSRC) $(TESTFILES)
- 
-+LIBADD = $(SRCDIR)/$(TOPDIR)/lib/libSCgroup.la $(SYSLIBS)
-+
- LIBS = $(shell $(LISTLIBS) $(INCLUDE) $(SRCDIR)/LIBS.h)
- 
- matrixtest:
---- mpqc-2.3.1.orig/src/lib/util/class/Makefile	2005-05-26 08:00:49.000000000 +0200
-+++ mpqc-2.3.1/src/lib/util/class/Makefile	2010-02-13 14:04:15.396433004 +0100
-@@ -41,6 +41,7 @@
- 
- BIN_OR_LIB = LIB
- TARGET_TO_MAKE = libSCclass
-+LIBADD = $(SYSLIBS)
- 
- TESTCXXSRC = classtest.cc scextest.cc
- DISTFILES = $(CXXSRC) $(INC) Makefile LIBS.h $(TESTCXXSRC)
---- mpqc-2.3.1.orig/src/lib/util/state/Makefile	2005-05-26 08:00:51.000000000 +0200
-+++ mpqc-2.3.1/src/lib/util/state/Makefile	2010-02-13 14:22:06.302369965 +0100
-@@ -50,6 +50,7 @@
- 
- BIN_OR_LIB = LIB
- TARGET_TO_MAKE = libSCstate
-+LIBADD = $(SRCDIR)/$(TOPDIR)/lib/libSCkeyval.la
- 
- default:: $(DEPENDINCLUDE)
- 
---- mpqc-2.3.1.orig/src/lib/util/group/Makefile	2005-07-30 02:30:18.000000000 +0200
-+++ mpqc-2.3.1/src/lib/util/group/Makefile	2010-02-13 14:21:38.582370124 +0100
-@@ -61,6 +61,7 @@
- 
- BIN_OR_LIB = LIB
- TARGET_TO_MAKE = libSCgroup
-+LIBADD = $(SRCDIR)/$(TOPDIR)/lib/libSCkeyval.la
- 
- TESTCXXSRC = pooltest.cc messtest.cc rnglocktest.cc thrtest.cc prttest.cc
- DISTFILES = $(REQUIREDCXXSRC) $(OPTIONALCXXSRC) $(INC) \
---- mpqc-2.3.1.orig/src/lib/util/Makefile	2001-08-07 00:29:56.000000000 +0200
-+++ mpqc-2.3.1/src/lib/util/Makefile	2010-02-13 14:40:23.611369920 +0100
-@@ -5,7 +5,7 @@
- 
- include $(SRCDIR)/$(TOPDIR)/lib/GlobalMakefile
- 
--SUBDIRS = options ref container class state misc keyval group render
-+SUBDIRS = options keyval ref container class state misc group render
- 
- include $(SRCDIR)/$(TOPDIR)/lib/GlobalSubDirs
- 
---- mpqc-2.3.1.orig/lib/GlobalRules	2010-02-13 19:47:19.019432588 +0100
-+++ mpqc-2.3.1/lib/GlobalRules	2010-02-13 19:47:57.760370198 +0100
-@@ -75,7 +75,7 @@
- 	$(RANLIB) $@
- 
- $(TOPDIR)/lib/$(TARGET_TO_MAKE).la: $(LIBOBJ)
--	$(LTLINK) $(CXX) -o $@ $^ $(wildcard $(TMPLREPO)/*.o) $(LTLINKLIBOPTS)
-+	$(LTLINK) $(CXX) $(LDFLAGS) -o $@ $^ $(wildcard $(TMPLREPO)/*.o) $(LTLINKLIBOPTS) $(LIBADD)
- 
- else
- 
-@@ -104,7 +104,7 @@
- endif
- 
- $(TOPDIR)/lib/$(TARGET_TO_MAKE).la: $(LIBOBJ)
--	$(LTLINK) $(CXX) -o $@ $^ $(LTLINKLIBOPTS)
-+	$(LTLINK) $(CXX) $(LDFLAGS) -o $@ $^ $(LTLINKLIBOPTS) $(LIBADD)
- 
- endif
- 
---- mpqc-2.3.1.orig/doc/devsamp/Makefile	2004-04-28 22:45:14.000000000 +0200
-+++ mpqc-2.3.1/doc/devsamp/Makefile	2010-02-13 19:58:56.958452043 +0100
-@@ -9,4 +9,4 @@
- LTLINKBINOPTS := $(shell $(SCCONFIG) --ltlinkbinopts)
- 
- mp2: mp2.o
--	$(LTLINK) $(CXX) $(CXXFLAGS) -o $@ $^ -L$(LIBDIR) -lmpqc $(LIBS) $(LTLINKBINOPTS)
-+	$(LTLINK) $(CXX) $(LDFLAGS) $(CXXFLAGS) -o $@ $^ -L$(LIBDIR) -lmpqc $(LIBS) $(LTLINKBINOPTS)
---- mpqc-2.3.1.orig/src/bin/mpqc/Makefile	2005-07-28 18:57:47.000000000 +0200
-+++ mpqc-2.3.1/src/bin/mpqc/Makefile	2010-02-13 19:57:40.484216235 +0100
-@@ -82,7 +82,7 @@
- 	$(RANLIB) $@
- 
- $(TOPDIR)/lib/libmpqc.la: $(BINOBJ)
--	$(LTLINK) $(CXX) -o $@ $^ $(LTLINKLIBOPTS)
-+	$(LTLINK) $(CXX) $(LDFLAGS) -o $@ $^ $(LTLINKLIBOPTS)
- 
- install_devel:: $(TOPDIR)/lib/libmpqc.$(LIBSUF)
- 	$(INSTALL) $(INSTALLDIROPT) $(installroot)$(libdir)
---- mpqc-2.3.1.orig/src/lib/chemistry/qc/Makefile.orig	2010-06-18 18:09:58.192621760 +0000
-+++ mpqc-2.3.1/src/lib/chemistry/qc/Makefile	2010-06-18 18:10:10.350261767 +0000
-@@ -33,7 +33,7 @@
- include $(SRCDIR)/$(TOPDIR)/lib/GlobalMakefile
- include $(TOPDIR)/lib/Makedirlist
- 
--SUBDIRS = basis oint3 intv3 wfn scf dft mbpt
-+SUBDIRS = basis oint3 intv3 dft wfn scf mbpt
- ifeq ($(HAVE_SC_SRC_LIB_CHEMISTRY_QC_PSI),yes)
- SUBDIRS := $(SUBDIRS) psi
- endif
diff --git a/sci-chemistry/mpqc/files/mpqc-2.3.1-blas.patch b/sci-chemistry/mpqc/files/mpqc-2.3.1-blas.patch
deleted file mode 100644
index b99c82fb71da..000000000000
--- a/sci-chemistry/mpqc/files/mpqc-2.3.1-blas.patch
+++ /dev/null
@@ -1,55 +0,0 @@
- configure.in |   36 +++---------------------------------
- 1 files changed, 3 insertions(+), 33 deletions(-)
-
-diff --git a/configure.in b/configure.in
-index ee82977..caae1f9 100644
---- a/configure.in
-+++ b/configure.in
-@@ -1487,44 +1487,14 @@ AC_LANG_CPLUSPLUS
- LIBSSAV="$LIBS"
- LIBS="$LIBSSAV $FLIBS"
- 
--LIBBLAS=""
--F77_DGEMM=`$PERL $srcdir/bin/mkf77sym.pl.in -method $F77_SYMBOLS DAXPY`
--AC_CHECK_FUNC($F77_DGEMM,HAVE_BLAS=yes,[
--  AC_CHECK_LIB(essl,$F77_DGEMM,[HAVE_BLAS=yes;LIBBLAS="-lessl"],
--    AC_CHECK_LIB(blas,$F77_DGEMM,[HAVE_BLAS=yes;LIBBLAS="-lblas"])
--  )]
--)
--if test X$HAVE_BLAS != Xyes; then
--  LIBSSAV2="$LIBS"
--  LIBS="-latlas $LIBS"
--  AC_CHECK_LIB(f77blas,$F77_DGEMM,[HAVE_BLAS=yes;LIBBLAS="-lf77blas -latlas"],
--               LIBS="$LIBSSAV2")
--fi
--AC_SUBST(HAVE_BLAS)
--if test X$HAVE_BLAS != Xyes; then
--  echo "WARNING: Could not link to the BLAS library.  It can be obtained at"
--  echo "http://www.netlib.org/blas.  Use --with-libdirs and/or --with-libs"
--  echo "to specify the name of the library."
--  AC_MSG_ERROR([BLAS is required to complete the build])
--fi
-+PKG_CHECK_MODULES([BLAS], [blas], [LIBBLAS="${BLAS_LIBS}"])
- 
- LIBS="$LIBSSAV $LIBBLAS $FLIBS"
- 
--LIBLAPACK=""
--F77_DGESVD=`$PERL $srcdir/bin/mkf77sym.pl.in -method $F77_SYMBOLS DGESVD`
--AC_CHECK_FUNC($F77_DGESVD,HAVE_LAPACK=yes,[
--  AC_CHECK_LIB(lapack,$F77_DGESVD,[HAVE_LAPACK=yes;LIBLAPACK="-llapack"]
--  )]
--)
--AC_SUBST(HAVE_LAPACK)
--if test X$HAVE_LAPACK != Xyes; then
--  echo "Could not link to the LAPACK library.  It can be obtained at"
--  echo "http://www.netlib.org/lapack.  Use --with-libdirs and/or --with-libs"
--  echo "to specify the name of the library."
--  AC_MSG_ERROR([LAPACK is required to complete the build])
--fi
-+PKG_CHECK_MODULES([LAPACK], [lapack], [LIBLAPACK="${LAPACK_LIBS}"])
- 
- FLIBS="$LIBLAPACK $LIBBLAS $FLIBS"
-+
- AC_LANG_RESTORE
- 
- dnl ----------- check for Scalable BLAS library --------------
diff --git a/sci-chemistry/mpqc/files/mpqc-2.3.1-respect-ldflags.patch b/sci-chemistry/mpqc/files/mpqc-2.3.1-respect-ldflags.patch
deleted file mode 100644
index c38c9579ddde..000000000000
--- a/sci-chemistry/mpqc/files/mpqc-2.3.1-respect-ldflags.patch
+++ /dev/null
@@ -1,25 +0,0 @@
---- mpqc-2.3.1.orig/configure.in	2006-03-22 19:04:54.000000000 +0100
-+++ mpqc-2.3.1/configure.in	2010-02-13 17:46:19.545557872 +0100
-@@ -10,6 +10,8 @@
- AC_CONFIG_HEADER(src/lib/scconfig.h)
- AC_CONFIG_AUX_DIR(bin)
- 
-+m4_include([lib/autoconf/cca.m4])
-+m4_include([lib/autoconf/acinclude.m4])
- AC_CANONICAL_SYSTEM
- 
- AC_DEFINE_UNQUOTED(HOST_ARCH, "$host")
-@@ -473,12 +473,10 @@
- echo Using FORTRAN runtime libraries: $withval
- )
- 
--LDFLAGS=
--LIBDIRS=
- AC_ARG_WITH(libdirs,
- [  --with-libdirs          Specifies library directories (-Ldir1 -Ldir2).],
- LIBDIRS=$withval
--LDFLAGS=$withval
-+LDFLAGS="$LDFLAGS $withval"
- echo Using extra library directories: $withval
- )
- 
diff --git a/sci-chemistry/mpqc/files/mpqc-2.3.1-test-failure-hack.patch b/sci-chemistry/mpqc/files/mpqc-2.3.1-test-failure-hack.patch
deleted file mode 100644
index 91fcc30d0d90..000000000000
--- a/sci-chemistry/mpqc/files/mpqc-2.3.1-test-failure-hack.patch
+++ /dev/null
@@ -1,11 +0,0 @@
---- mpqc-2.3.1.orig/src/bin/mpqc/validate/Makefile	2006-03-22 19:03:51.000000000 +0100
-+++ mpqc-2.3.1/src/bin/mpqc/validate/Makefile	2010-02-13 20:26:12.496370219 +0100
-@@ -52,7 +52,7 @@
- # Also need to see if --mpqc was specified.  If not, then add
- # --mpqc ../../mpqc.
- ifeq ($(filter --mpqc%, $(ALL_MPQCRUN_ARGS)),)
--ALL_MPQCRUN_ARGS:=--mpqc ../../mpqc $(ALL_MPQCRUN_ARGS)
-+ALL_MPQCRUN_ARGS:=--mpqc "LD_LIBRARY_PATH=\"../../../../../lib/.libs/\" ../../mpqc" $(ALL_MPQCRUN_ARGS)
- endif
- 
- ifeq ($(HAVE_SC_SRC_LIB_CHEMISTRY_QC_MBPTR12),yes)
diff --git a/sci-chemistry/mpqc/files/mpqc-2.3.1-wformat-security.patch b/sci-chemistry/mpqc/files/mpqc-2.3.1-wformat-security.patch
deleted file mode 100644
index 7f25a92ad891..000000000000
--- a/sci-chemistry/mpqc/files/mpqc-2.3.1-wformat-security.patch
+++ /dev/null
@@ -1,71 +0,0 @@
-Fix -Werror=format-security errors
-https://bugs.gentoo.org/show_bug.cgi?id=542278
-
---- mpqc-2.3.1/src/lib/chemistry/molecule/atominfo.cc
-+++ mpqc-2.3.1/src/lib/chemistry/molecule/atominfo.cc
-@@ -493,7 +493,7 @@
-   if (iname != symbol_to_Z_.end()) return iname->second;
- 
-   if (allow_exceptions) {
--      ExEnv::err0() << sprintf("AtomInfo: invalid name: %s\n",name.c_str());
-+      ExEnv::err0() << fprintf(stderr, "AtomInfo: invalid name: %s\n",name.c_str());
-       throw std::runtime_error("invalid atom name");
-     }
- 
---- mpqc-2.3.1/src/lib/chemistry/molecule/atominfo.h
-+++ mpqc-2.3.1/src/lib/chemistry/molecule/atominfo.h
-@@ -49,8 +49,8 @@
-     struct atom
-     {
-       int Z;
--      char *name;
--      char *symbol;
-+      const char *name;
-+      const char *symbol;
-     };
- 
-     static struct atom elements_[Nelement];
---- mpqc-2.3.1/src/lib/chemistry/molecule/simple.cc
-+++ mpqc-2.3.1/src/lib/chemistry/molecule/simple.cc
-@@ -214,7 +214,7 @@
-       os << scprintf(" %4d", atoms[i]);
- 
-   if (mol.nonnull()) {
--      char *separator = " ";
-+      const char *separator = " ";
-       os << "  ";
-       for (i=0; i<(4-natoms()); i++) {
-           os << "   ";
---- mpqc-2.3.1/src/lib/chemistry/qc/psi/psiexenv.cc
-+++ mpqc-2.3.1/src/lib/chemistry/qc/psi/psiexenv.cc
-@@ -147,7 +147,7 @@
-   return 0;
- }
- 
--int PsiExEnv::run_psi_module(char *module)
-+int PsiExEnv::run_psi_module(const char *module)
- {
-   int errcod;
-   char *module_cmd = new char[2*cwd_.size()+strlen(module)+psiprefix_.size()+fileprefix_.size()+stdout_.size()+stderr_.size()+40];
---- mpqc-2.3.1/src/lib/chemistry/qc/psi/psiexenv.h
-+++ mpqc-2.3.1/src/lib/chemistry/qc/psi/psiexenv.h
-@@ -57,7 +57,7 @@
-     /// Executes Psi input+driver
-     int run_psi();
-     /// Executes a Psi module
--    int run_psi_module(char *);
-+    int run_psi_module(const char *);
- 
-     /// Returns current working directory
-     string get_cwd() const { return cwd_;};
---- mpqc-2.3.1/src/lib/chemistry/qc/psi/psiwfn.cc
-+++ mpqc-2.3.1/src/lib/chemistry/qc/psi/psiwfn.cc
-@@ -44,7 +44,7 @@
-     bytes = 2000000;
-   int bytes_str_len = (int)ceil(log10((long double)bytes));
-   memory_ = new char[bytes_str_len+5];
--  sprintf(memory_,"(%ld B)",bytes);
-+  sprintf(memory_,"(%d B)",bytes);
- }
- 
- PsiWavefunction::~PsiWavefunction()
diff --git a/sci-chemistry/mpqc/metadata.xml b/sci-chemistry/mpqc/metadata.xml
deleted file mode 100644
index f010ff6d55a9..000000000000
--- a/sci-chemistry/mpqc/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">mpqc</remote-id>
-  </upstream>
-</pkgmetadata>
diff --git a/sci-chemistry/mpqc/mpqc-2.3.1-r4.ebuild b/sci-chemistry/mpqc/mpqc-2.3.1-r4.ebuild
deleted file mode 100644
index 609035e9b4f3..000000000000
--- a/sci-chemistry/mpqc/mpqc-2.3.1-r4.ebuild
+++ /dev/null
@@ -1,105 +0,0 @@
-# Copyright 1999-2024 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-
-inherit autotools toolchain-funcs
-
-DESCRIPTION="The Massively Parallel Quantum Chemistry Program"
-HOMEPAGE="http://www.mpqc.org/"
-SRC_URI="https://downloads.sourceforge.net/mpqc/${P}.tar.bz2"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~ppc ~ppc64 ~x86"
-IUSE="doc mpi threads tk"
-
-RDEPEND="
-	virtual/blas
-	virtual/lapack
-	mpi? ( virtual/mpi[cxx] )
-	tk? ( dev-lang/tk:0 )"
-DEPEND="${RDEPEND}"
-BDEPEND="
-	dev-lang/perl
-	app-alternatives/lex
-	virtual/pkgconfig
-	doc? (
-		app-text/doxygen
-		media-gfx/graphviz
-	)"
-
-PATCHES=(
-	"${FILESDIR}"/${P}-as-needed.patch
-	"${FILESDIR}"/${P}-respect-ldflags.patch
-	"${FILESDIR}"/${P}-test-failure-hack.patch
-	"${FILESDIR}"/${P}-blas.patch
-	"${FILESDIR}"/${P}-wformat-security.patch
-	"${FILESDIR}"/${P}-MPI-3.0.patch
-)
-
-src_prepare() {
-	# do not install tkmolrender if not requested
-	if ! use tk; then
-		sed \
-			-e "s:.*/bin/molrender/tkmolrender.*::" \
-			-e "s:.*\$(INSTALLBINOPT) tkmolrender.*::" \
-			-e "s:/bin/rm -f tkmolrender::" \
-			-i "./src/bin/molrender/Makefile" \
-			|| die "failed to disable tkmolrender"
-	fi
-	default
-
-	eautoreconf
-}
-
-src_configure() {
-	tc-export CC CXX
-	if use mpi; then
-		export CC=mpicc
-		export CXX=mpicxx
-	fi
-
-	econf \
-		--enable-shared \
-		$(use_enable threads) \
-		$(use_enable mpi parallel)
-
-	sed \
-		-e "s|^CFLAGS =.*$|CFLAGS=${CFLAGS}|" \
-		-e "s|^FFLAGS =.*$|FFLAGS=${FFLAGS:- -O2}|" \
-		-e "s|^CXXFLAGS =.*$|CXXFLAGS=${CXXFLAGS}|" \
-		-i lib/LocalMakefile || die
-}
-
-src_test() {
-	# we'll only run the small test set, since the
-	# medium and large ones take >10h and >24h on my
-	# 1.8Ghz P4M
-	emake -C src/bin/mpqc/validate -j1 check1
-}
-
-src_install() {
-	emake installroot="${D}" install install_devel install_inc
-	dodoc CHANGES CITATION README
-
-	# make extended docs
-	if use doc; then
-		cd doc || die
-		emake all
-		doman man/man1/* man/man3/*
-		dodoc -r html
-	fi
-
-	find "${ED}" -name '*.la' -delete || die
-}
-
-pkg_postinst() {
-	einfo "MPQC can be picky with regard to compilation flags."
-	einfo "If during mpqc runs you have trouble converging or "
-	einfo "experience oscillations during SCF interations, "
-	einfo "consider recompiling with less aggressive CFLAGS/CXXFLAGS."
-	einfo "Particularly, replacing -march=pentium4 by -march=pentium3"
-	einfo "might help if you encounter problems with correlation "
-	einfo "consistent basis sets."
-}