diff options
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/psi/files/3.4.0-ldflags.patch | 4 | ||||
| -rw-r--r-- | sci-chemistry/psi/files/3.4.0-man_paths.patch | 8 | ||||
| -rw-r--r-- | sci-chemistry/psi/files/3.4.0-parallel_fix.patch | 32 | ||||
| -rw-r--r-- | sci-chemistry/psi/files/psi-3.4.0-perl-File-Temp.patch | 14 | ||||
| -rw-r--r-- | sci-chemistry/psi/psi-3.4.0-r2.ebuild | 45 |
5 files changed, 60 insertions, 43 deletions
diff --git a/sci-chemistry/psi/files/3.4.0-ldflags.patch b/sci-chemistry/psi/files/3.4.0-ldflags.patch index 9d7f2767e8ec..41f6bb651120 100644 --- a/sci-chemistry/psi/files/3.4.0-ldflags.patch +++ b/sci-chemistry/psi/files/3.4.0-ldflags.patch @@ -1,7 +1,7 @@ Respect LDFLAGS ---- configure.ac -+++ configure.ac +--- a/configure.ac ++++ b/configure.ac @@ -288,15 +288,13 @@ ) AC_SUBST(LDLIBS) diff --git a/sci-chemistry/psi/files/3.4.0-man_paths.patch b/sci-chemistry/psi/files/3.4.0-man_paths.patch index 02cced160847..51917c4decda 100644 --- a/sci-chemistry/psi/files/3.4.0-man_paths.patch +++ b/sci-chemistry/psi/files/3.4.0-man_paths.patch @@ -2,8 +2,8 @@ Fix man paths http://bugs.gentoo.org/show_bug.cgi?id=326185 ---- src/bin/nonbonded/Makefile.in -+++ src/bin/nonbonded/Makefile.in +--- a/src/bin/nonbonded/Makefile.in ++++ b/src/bin/nonbonded/Makefile.in @@ -19,5 +19,5 @@ endif @@ -12,8 +12,8 @@ http://bugs.gentoo.org/show_bug.cgi?id=326185 - $(INSTALL_INCLUDE) $^ $(mandir)/man1 + $(MKDIRS) $(DESTDIR)$(mandir)/man1 + $(INSTALL_INCLUDE) $^ $(DESTDIR)$(mandir)/man1 ---- src/bin/intder/Makefile.in -+++ src/bin/intder/Makefile.in +--- a/src/bin/intder/Makefile.in ++++ b/src/bin/intder/Makefile.in @@ -21,6 +21,6 @@ endif diff --git a/sci-chemistry/psi/files/3.4.0-parallel_fix.patch b/sci-chemistry/psi/files/3.4.0-parallel_fix.patch index 65234fb40dcb..8c8d8c35121a 100644 --- a/sci-chemistry/psi/files/3.4.0-parallel_fix.patch +++ b/sci-chemistry/psi/files/3.4.0-parallel_fix.patch @@ -1,5 +1,5 @@ ---- Makefile.in -+++ Makefile.in +--- a/Makefile.in ++++ b/Makefile.in @@ -17,62 +17,19 @@ INSTALL = @INSTALL@ INSTALL_PROGRAM = @INSTALL_PROGRAM@ @@ -70,8 +70,8 @@ $(top_srcdir)/configure: $(top_srcdir)/configure.ac $(top_srcdir)/aclocal.m4 cd $(top_srcdir) && autoconf ---- lib/Makefile.in -+++ lib/Makefile.in +--- a/lib/Makefile.in ++++ b/lib/Makefile.in @@ -31,7 +31,7 @@ $(INSTALL_DATA) $(srcdir)/psi.dat $(DESTDIR)$(pkgdatadir) for dir in $(subdirs); \ @@ -81,8 +81,8 @@ done install_man: macro.psi ---- src/Makefile.in -+++ src/Makefile.in +--- a/src/Makefile.in ++++ b/src/Makefile.in @@ -6,53 +6,10 @@ default: all @@ -141,8 +141,8 @@ top_srcdir = @top_srcdir@ srcdir = @srcdir@ ---- src/lib/Makefile.in -+++ src/lib/Makefile.in +--- 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 @@ -204,8 +204,8 @@ # # keep the configuration information and makefile up-to-date ---- src/bin/Makefile.in -+++ src/bin/Makefile.in +--- a/src/bin/Makefile.in ++++ b/src/bin/Makefile.in @@ -13,55 +13,10 @@ subdirs += psirb endif @@ -266,8 +266,8 @@ top_srcdir = @top_srcdir@ srcdir = @srcdir@ ---- src/samples/Makefile.in -+++ src/samples/Makefile.in +--- a/src/samples/Makefile.in ++++ b/src/samples/Makefile.in @@ -5,55 +5,10 @@ subdirs = mints @@ -328,8 +328,8 @@ top_srcdir = @top_srcdir@ srcdir = @srcdir@ ---- src/util/Makefile.in -+++ src/util/Makefile.in +--- a/src/util/Makefile.in ++++ b/src/util/Makefile.in @@ -3,55 +3,10 @@ subdirs = tocprint psi2molden @@ -390,8 +390,8 @@ top_srcdir = @top_srcdir@ srcdir = @srcdir@ ---- src/lib/libipv1/Makefile.in -+++ src/lib/libipv1/Makefile.in +--- a/src/lib/libipv1/Makefile.in ++++ b/src/lib/libipv1/Makefile.in @@ -58,4 +58,4 @@ # in case DODEPEND is no # 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 new file mode 100644 index 000000000000..691567ae0cc1 --- /dev/null +++ b/sci-chemistry/psi/files/psi-3.4.0-perl-File-Temp.patch @@ -0,0 +1,14 @@ +--- 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 $!"; diff --git a/sci-chemistry/psi/psi-3.4.0-r2.ebuild b/sci-chemistry/psi/psi-3.4.0-r2.ebuild index f40a13060173..2b73d442b470 100644 --- a/sci-chemistry/psi/psi-3.4.0-r2.ebuild +++ b/sci-chemistry/psi/psi-3.4.0-r2.ebuild @@ -1,9 +1,9 @@ -# Copyright 1999-2019 Gentoo Authors +# Copyright 1999-2020 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 -EAPI=4 +EAPI=7 -inherit autotools-utils fortran-2 multilib toolchain-funcs +inherit autotools fortran-2 toolchain-funcs DESCRIPTION="Suite for ab initio quantum chemistry computing various molecular properties" HOMEPAGE="http://www.psicode.org/" @@ -12,17 +12,19 @@ SRC_URI="mirror://sourceforge/psicode/${P}.tar.gz" LICENSE="GPL-2" SLOT="0" KEYWORDS="amd64 x86" -IUSE="static-libs test" -RESTRICT="!test? ( test )" +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="${RDEPEND} - virtual/pkgconfig +DEPEND="${RDEPEND}" +BDEPEND=" dev-util/byacc + virtual/pkgconfig test? ( dev-lang/perl )" S="${WORKDIR}/${PN}${PV:0:1}" @@ -38,19 +40,21 @@ PATCHES=( "${FILESDIR}"/${PV}-parallel_fix.patch "${FILESDIR}"/${PV}-fortify.patch "${FILESDIR}"/${P}-format-security.patch - ) + "${FILESDIR}"/${P}-perl-File-Temp.patch +) src_prepare() { - autotools-utils_src_prepare + default + # Broken test sed \ -e 's:scf-mvd-opt ::g' \ -e 's:scf-mvd-opt-puream ::g' \ -i tests/Makefile.in || die - sed \ -e "/LIBPATTERNS/d" \ -i src/{bin,util,samples}/MakeVars.in || die + eautoreconf } @@ -58,17 +62,15 @@ src_configure() { # This variable gets set sometimes to /usr/lib/src and breaks stuff unset CLIBS - local myeconfargs=( - --with-opt="${CXXFLAGS}" - --datadir="${EPREFIX}"/usr/share/${PN} - --with-blas="$($(tc-getPKG_CONFIG) blas --libs)" + econf \ + --with-opt="${CXXFLAGS}" \ + --datadir="${EPREFIX}"/usr/share/${PN} \ + --with-blas="$($(tc-getPKG_CONFIG) --libs blas)" \ --with-lapack="$($(tc-getPKG_CONFIG) --libs lapack)" - ) - autotools-utils_src_configure } src_compile() { - autotools-utils_src_compile \ + emake \ SCRATCH="${WORKDIR}/libint" \ DODEPEND="no" \ YACC=byacc @@ -79,8 +81,9 @@ src_test() { } src_install() { - autotools-utils_src_install DODEPEND="no" - if ! use static-libs; then - rm -f "${ED}"/usr/$(get_libdir)/*.a || die - fi + emake DESTDIR="${D}" DODEPEND="no" install + einstalldocs + + # convenience libraries + rm "${ED}"/usr/$(get_libdir)/*.a || die } |