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author | Andrew Ammerlaan <andrewammerlaan@gentoo.org> | 2022-01-24 16:52:39 +0100 |
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committer | Andrew Ammerlaan <andrewammerlaan@gentoo.org> | 2022-01-24 16:52:39 +0100 |
commit | e8f559a24eb6e60e1ffa71bebd3e318a19d911cb (patch) | |
tree | 714c02ddd437f36c7eb51975d7c60d858351e4fc /sci-physics/openmx | |
parent | sci-visualization/fsleyes-props: bump to 1.7.3 (diff) | |
download | sci-e8f559a24eb6e60e1ffa71bebd3e318a19d911cb.tar.gz sci-e8f559a24eb6e60e1ffa71bebd3e318a19d911cb.tar.bz2 sci-e8f559a24eb6e60e1ffa71bebd3e318a19d911cb.zip |
sci-physics/openmx: bump to patch release
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
Diffstat (limited to 'sci-physics/openmx')
-rw-r--r-- | sci-physics/openmx/Manifest | 1 | ||||
-rw-r--r-- | sci-physics/openmx/openmx-3.9_p20211017.ebuild (renamed from sci-physics/openmx/openmx-3.9.ebuild) | 44 |
2 files changed, 34 insertions, 11 deletions
diff --git a/sci-physics/openmx/Manifest b/sci-physics/openmx/Manifest index 0017a79ab..030db9f8c 100644 --- a/sci-physics/openmx/Manifest +++ b/sci-physics/openmx/Manifest @@ -1 +1,2 @@ DIST openmx3.9.tar.gz 166014953 BLAKE2B 1aba4107a2b8d014da40e7851ac33c3678fa1d25e30b7cbfc02017d349d89ed577f2bbd0341cb44e519fc2879879adca83140a9c216fd102842deff6c5d35ec2 SHA512 dc8f0712ccf02be749b640f9e1678fcc83cb9821589f1f5091d18b2ba68b909389c80dc1e469ba4d81105281f45790f1b699198c0e12590aeb6a73cf2d2c4ac2 +DIST patch3.9.9.tar.gz 1074993 BLAKE2B ed539788a5f6dedf41814c69339dc0ec3ac8d9da1beec363edfbd691571d22c0bb984f50e386687c75ae0eb9d5fdee2085067cd81451869703fa749f22dc2f3d SHA512 5b7d12f17150b0403a0afae5d206379270b2fa734755a48f52902893e5610a7edb710caee634abd98c230261ec6faea4cc607eb82bd8603e16815aebf0d5c85a diff --git a/sci-physics/openmx/openmx-3.9.ebuild b/sci-physics/openmx/openmx-3.9_p20211017.ebuild index e58af9665..2d1e50397 100644 --- a/sci-physics/openmx/openmx-3.9.ebuild +++ b/sci-physics/openmx/openmx-3.9_p20211017.ebuild @@ -1,17 +1,21 @@ -# Copyright 1999-2021 Gentoo Authors +# Copyright 1999-2022 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 -EAPI=7 +EAPI=8 inherit toolchain-funcs flag-o-matic fortran-2 DESCRIPTION="Material eXplorer" HOMEPAGE="http://www.openmx-square.org/" # no https, SSL invalid -SRC_URI="http://t-ozaki.issp.u-tokyo.ac.jp/${PN}${PV}.tar.gz" +SRC_URI=" + http://t-ozaki.issp.u-tokyo.ac.jp/${PN}${PV//_*}.tar.gz + http://www.openmx-square.org/bugfixed/21Oct17/patch${PV//_*}.9.tar.gz +" +S="${WORKDIR}/${PN}${PV//_*}/source" LICENSE="GPL-3" SLOT="0" -KEYWORDS="" +KEYWORDS="~amd64" IUSE="debug openmp test" RESTRICT="!test? ( test )" @@ -20,12 +24,12 @@ RDEPEND=" virtual/blas virtual/lapack virtual/mpi + sci-libs/scalapack + sys-cluster/openmpi sci-libs/fftw:3.0[mpi,openmp?]" DEPEND="${RDEPEND}" BDEPEND="virtual/pkgconfig" -S="${WORKDIR}/${PN}${PV}/source" - FORTRAN_STANDARD=90 pkg_setup() { @@ -65,7 +69,7 @@ pkg_setup() { (( ${ret} )) || break done - rm -f "${code}.*" + rm "${code}."* || die popd if (( ${ret} )); then @@ -86,7 +90,7 @@ pkg_setup() { (( ${ret} )) || break done - rm -f "${code}.*" + rm "${code}."* || die popd if (( ${ret} )); then @@ -98,18 +102,34 @@ pkg_setup() { } +src_unpack() { + unpack "${PN}${PV//_*}.tar.gz" + # copy patched files to source + cd "${S}" || die + unpack "patch${PV//_*}.9.tar.gz" +} + src_configure() { local FFTW_FLAVOUR=fftw3 if use openmp; then FFTW_FLAVOUR=fftw3_omp + append-cflag -fopenmp else append-cflag -Dnoomp fi + append-cflag -Dkcomp + append-cflag -ffast-math append-cflags $($(tc-getPKG_CONFIG) --cflags lapack) + append-cflags $($(tc-getPKG_CONFIG) --cflags scalapack) + append-cflags $($(tc-getPKG_CONFIG) --cflags openmpi) append-cflags $($(tc-getPKG_CONFIG) --cflags ${FFTW_FLAVOUR}) append-fflags -I/usr/include + append-fflags -Dkcomp + append-fflags -ffast-math append-fflags $($(tc-getPKG_CONFIG) --cflags lapack) + append-fflags $($(tc-getPKG_CONFIG) --cflags scalapack) + append-fflags $($(tc-getPKG_CONFIG) --cflags openmpi) append-fflags $($(tc-getPKG_CONFIG) --cflags ${FFTW_FLAVOUR}) # otherwise we get Error: Rank mismatch between actual argument @@ -117,6 +137,8 @@ src_configure() { append-fflags -fallow-argument-mismatch local MX_LIB="$($(tc-getPKG_CONFIG) --static --libs lapack)" + MX_LIB="${MX_LIB} $($(tc-getPKG_CONFIG) --static --libs scalapack)" + MX_LIB="${MX_LIB} $($(tc-getPKG_CONFIG) --static --libs openmpi)" MX_LIB="${MX_LIB} $($(tc-getPKG_CONFIG) --static --libs ${FFTW_FLAVOUR})" MX_LIB="${MX_LIB} $(mpif90 -showme:link)" @@ -135,17 +157,17 @@ src_compile() { } src_test() { - cd ../work + cd ../work || die ../source/openmx -runtest || die } src_install() { insinto /usr/share/${P} doins -r DFT_DATA19 - cd ../work + cd ../work || die insinto /usr/share/${P}/examples doins -r * - cd ../source + cd ../source || die emake DESTDIR="${D}/usr/bin" install dodoc "${S}/${PN}${PV%.?}.pdf" use test && dodoc "${S}"/work/runtest.result |