diff options
author | V3n3RiX <venerix@redcorelinux.org> | 2020-09-02 14:09:07 +0100 |
---|---|---|
committer | V3n3RiX <venerix@redcorelinux.org> | 2020-09-02 14:09:07 +0100 |
commit | b17a3ef12038de50228bade1f05502c74e135321 (patch) | |
tree | 9026dffec53f92cba48ca9a500a4f778e6304380 /sci-chemistry/psi | |
parent | 3cf7c3ef441822c889356fd1812ebf2944a59851 (diff) |
gentoo resync : 02.09.2020
Diffstat (limited to 'sci-chemistry/psi')
-rw-r--r-- | sci-chemistry/psi/Manifest | 9 | ||||
-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 |
6 files changed, 65 insertions, 47 deletions
diff --git a/sci-chemistry/psi/Manifest b/sci-chemistry/psi/Manifest index 316132cafba5..0c5f9217f3d5 100644 --- a/sci-chemistry/psi/Manifest +++ b/sci-chemistry/psi/Manifest @@ -2,12 +2,13 @@ AUX 3.4.0-destdir.patch 1320 BLAKE2B 3a405523ee2006722ae3e476905066b9152e1a3148b AUX 3.4.0-dont-build-libint.patch 432 BLAKE2B c79f03b7da9e38580a7f8e88c90df4b0d5467d1d5fe2911305a5bb95f8614786b2fc8ccf1b3623b2541c3c03b1e92ec476e6cb99b7f5f62f3eab49fe58d19c01 SHA512 db4dd3607c5fad353d9a692f38250c75f12330d6b9a10b2ea2d1ce265526310f7407c57f6846c063185f890089bcd325b13b04bf1d16742b019c0a86c766b05d AUX 3.4.0-fortify.patch 1889 BLAKE2B 7d27382dea72f2f4f2041c8e2c24f14e9a11eedb3c6796b525c7effef8602f52c39e1c9e1249b1d914c75562e09e4fd697f64e49514d817369ae836888e40c10 SHA512 b8433288aac07fe973bfcb24d17de94d2d40368c9bba4859b104c14bc2b38503307fa00145f88a00bb5185dfb1996df74786e990c132edd4f3cf4f228a03bdae AUX 3.4.0-gcc-4.3.patch 8000 BLAKE2B fe6762d9bd30f73357099f675dc31687dd4b81988b8a3803e8be3646000182fb0bf6ba461a2286dc1349c41c3229f4965eb15e4b9f8bbcb13ddd6a414091ff75 SHA512 023a266d1b853e70b49f5e95f6ec78a4e13afc262dc95cef7b7dc580b0e11d68b36b78b0a1e8fa46b678bfd2f4a091800014393e1db812c6483d8c0e484d2ea5 -AUX 3.4.0-ldflags.patch 403 BLAKE2B 84953d9896a7eb8de4beb6ea87226c09cfb1225fd264d89e9a142f2361cf2271a25446c55b7ebe79f8f89b81d7dc9f6fe832ac6c759ec3f5c1ab1652f2bd1126 SHA512 208431df306d07562ba46a4f18327c8b8978452c250963c5a403e548817ea2709530675faf0b35929d0b2e6c214154a88e5e0e92066e2030c6988ec86681daf1 -AUX 3.4.0-man_paths.patch 603 BLAKE2B 287ccca64898dbcba1a02ca61208fcc5d7f9bd4c61ef6589b43245ee11d4d69e05f41d3a0e118bda99e568ceb7913d58b5ef6951d1352361c5b08492efcf2af0 SHA512 d3b351b76f94f37cf7de34194b8a3fc92226e22cad5a25f9310721dddfa074ff62e6ce8aff856b59b040f0547efa5405647e664fd2e08248438592b3ca06b64d -AUX 3.4.0-parallel_fix.patch 10682 BLAKE2B 49b661d82e84a0ceff81561e07ce6c95fb2be9a7ea183afd17111025f3d86f1c813b489d41f03f94695166343131c57d4f1e7a86ddf3ea73a6c0f8ce796930be SHA512 44cbf4e159168ba9495f34031d409f2f22311f8c4899ca414fbcc789306aac2d8b0c165fdc0fb24907b1ddd69c79c4c2c980e2d9157a38aa94e7511914a7ff9d +AUX 3.4.0-ldflags.patch 407 BLAKE2B 86184259773301499137c36c4a8ac938ad5b4743fb3e72a355e97a213a4a1d6f1ef22cecab64571ac7ca19949ef7e6b961825c8347892a0a28f11d0bee22578a SHA512 3442fbbd93e149fb585399b290cdb202b9b1d15602e4c923f351d182b3e579324123071dfb28e590b81c7b5d0de6158b774ed65e7a048342824befcb250056e6 +AUX 3.4.0-man_paths.patch 611 BLAKE2B b0463f3ec16d89e91298de55b680475de819443cafcc228fe02a2efa63a07929fd98b11ed60b2343e9d35d517f2021dca25586e01ab3d6433d988524d7207d18 SHA512 561eb482cb505e3bed38ceefe7677ae8ea6e62d1465ba504276ccef3e4f8296855b271cf5fbbc263aaae34ca59e0261351b0a8b52b446846199882b14fc27632 +AUX 3.4.0-parallel_fix.patch 10714 BLAKE2B 4e35122cb2f47432ecf4271dad43bf28c425395f0f0fc579b0d4564ef1363d2dcbe9c77f1175d332c15334d41a64fc6413e328ae5718df25b57c741f7493dd28 SHA512 931f6eedc58527447f2604af323db08c27b47e3cdf4c80c0937f5f1218c9f2cb126d8fd85b88f36a50f41d8b15d4bb23cb0d035bbc38cbd6bac74c944780c102 AUX psi-3.4.0-format-security.patch 1021 BLAKE2B 58aebbd7d8d8fd8c78c8cce7ad28574210b6fecebbfe982426d14c355ee524e0ab07364e10a80c28db066208a7fbb1f7ec794fcfcc934bb339a8005d05dad8c8 SHA512 f828866ae90711f244104c6443c750a148e9c848eedfe38d9a74fc2e5b56543ced7ae0beadbafa3fe338eddd391969e197104838afb5820b50f227ecbfa472de AUX psi-3.4.0-parallel-make.patch 445 BLAKE2B e98ee4f5d0feb639058c3b589c6eb6747b35386276f48a6775ab40833364d0feadc55fb4f91abb58009b83f8122fbb119f0588acc13eabb5fb9857af202ac3d5 SHA512 bf574c6c9c1e1ffc8747fb51896b8f9d8b29c4796b0a06529a58a2ab1ed5ee0a4270fe071eb86ca745bad2c760701c4d9eb7f269cd390f6d9cadf4065962e52e +AUX psi-3.4.0-perl-File-Temp.patch 488 BLAKE2B 03c5ab1f1b801321063f389e3ae9989061013cb645cbfecbb94043b809d14df9dbac9b650c9ee5afde5eed88f2f8707d8d8b57713b0134311c62bc36b5247e07 SHA512 683418b28dbdaf4161b679a4fb6aa875ac7834fd4a1b3829c89230be6cdc4b92dc2e23ee3a59a1d5fd3008fdbc7967101a6249a6d42715cedddc2ea756a7e54b AUX use-external-libint.patch 1359 BLAKE2B 24fe9d7eb369f6c6846915cd87471d4f2bcf66da09105d73c4b75cebfa7138d318d5dfca653368d80eb5b39a31eabde60da5b439786ed00d95b31b90e56a44ed SHA512 8b4749b0c449dbc89067eec466d3d557da86e7f2d950cc0a94409e158a31a3fb8ceafefd090168acd97975ff3ccc7859e6f2df3c2cd57a3571b79f71aca6fff7 DIST psi-3.4.0.tar.gz 7413072 BLAKE2B de8b5e0fb1692780446385bf13f6b9984f5be8d441730babacf6f59dd18be6e13b1cff17170cec87def1f743d7e634354b57afbc046e6f34c79c9fc52c31b146 SHA512 b13d2464502545cceec3a3b6048b505b918da26730c1614617b04ee6c1d637c9f799ef7fd92ad9554fa2db87617004aa810a6a81400a04df3c06787d51654ca6 -EBUILD psi-3.4.0-r2.ebuild 1959 BLAKE2B b40aa3f7ea09f433373dafca0b535e4de2b302af81864212f8b989989ef7970657531e62f4c35e7501728da011a3266738a9af8fc0e145329e6994566513d3ca SHA512 414ba2b293b6b1edd8d82096706db88cc105602688c6b85a119c3b1ecd0ef2209f83d19efc1b982a85fb04533406d9faf9483f83b90b568f49304a732755e552 +EBUILD psi-3.4.0-r2.ebuild 1956 BLAKE2B 91bbce5403d860bda96c14d6ca219bf52ace394b2bc1f3861ca6089bbe0e4cdad85432beb692da990fdcbecc59f174935f8a1100790cf087d863719c0a29155a SHA512 1474c58bd5ac950fecbfcddd8ecc09315f54efa42c2e0ef07054e806f47027bfcaa15e864d9d689147fc9f5cceb41f3af6ef961a1d8bbc7d2216db36a823a193 MISC metadata.xml 352 BLAKE2B a7c80467e6e67207a2a03e98071d1bbcec5024a528848f615ab38233c888a78032a9fe7a04dbf278964f9f9cb52d010ad592b1fe40436cb7839a1f2bfd4a375a SHA512 0ef2b193bcadef21bcad1e3fd3745b37f75bd65fe44645c667c99634d9047b28c82504002ed6967cf1cc2d5c8c43f5757ad08264613088ca36c7e94ac683b7e2 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 } |