diff options
Diffstat (limited to 'sci-physics/espresso')
| -rw-r--r-- | sci-physics/espresso/Manifest | 5 | ||||
| -rw-r--r-- | sci-physics/espresso/espresso-4.2.0.ebuild | 124 | ||||
| -rw-r--r-- | sci-physics/espresso/espresso-9999.ebuild | 30 | ||||
| -rw-r--r-- | sci-physics/espresso/files/espresso-4.2.0-fix-disable-test.patch | 12 |
4 files changed, 156 insertions, 15 deletions
diff --git a/sci-physics/espresso/Manifest b/sci-physics/espresso/Manifest index c2717bcc826e..e7fa5a5ddd03 100644 --- a/sci-physics/espresso/Manifest +++ b/sci-physics/espresso/Manifest @@ -1,5 +1,8 @@ AUX espresso-4.1.3-gcc-11.patch 1134 BLAKE2B 40072bba384002ab091427d3c358248fba4b0d581be4d56c37cd76406c6da7933016c878139ec6d67e64a45854eb2723712e8ea048013fb8551e196d95f969ff SHA512 c42abfea997a58e70cb79ad554b2a40fa28d844f4d5ed262cc8a7e4420aa5d6e55fd0349fe19cd3654a8b86335b85212ccc3fe927c7418742f4a2e3310ce8f96 +AUX espresso-4.2.0-fix-disable-test.patch 445 BLAKE2B b1eb0c5004c26fcd17700c098108ec32cd3bfde60f732095a4555294ba0b81e47467311a1dbe379d2144f031f3515f658897003dfd1c7e718b711a2fc5f2ed6a SHA512 f7509a2c5cc73642e487130bf4b6b9f9a1360855908dfcd507490065f32e091c67a329af7eed9146ad0734e778365198c44c32b444c055d4829048e8c71bcf50 DIST espresso-4.1.3.tar.gz 16947336 BLAKE2B 14d3513eda87f62a8473a0cac0c273b3590bf78ed48b96e76d10c106713f7bbd7d37de951bd3d9210062b34c02bd83a68f3aaf1ca8215ed1dcde590e4e99b113 SHA512 1fe82683eddb7bfd9bae6e446b0f42a50087d755995963905cd419473ad17b204f20049d0cf4af9264898dd6fee36f02744b38fa45cd0e33086374cf2aebd934 +DIST espresso-4.2.0.tar.gz 14000445 BLAKE2B 79de0e364cd932e534b0e1ee9433ae90e4deeb1ade262aa6877a30c8656f03155ca77b8feafdd5607f83e36ee4f47ad7ec28be353bc3358216a9c9f8c0902323 SHA512 b80afb1bef57911fd79b88378a5b2e31b07a18d415fe17fcd5ed28fb448eeca5922f98af8df42117e9e869645765d55ecfb3aae615fa6a53c915f7d8a63081c5 EBUILD espresso-4.1.3.ebuild 2767 BLAKE2B 0ccf402e5234a75cf7c0b38eeb4d5e705a573e7ac08c734ca4cbc0230734646bb2ea17b0ad096fefe309a6387b5edf99e4168f586b2a675a0287f065821c7fe9 SHA512 576bb3bd73ba9b274b23c5df9bc6e20cdfaafbe3c6d1895dacb111f3bf29fa32eda3fe8ee1d85b7d120c49e9112ed0b6584628d4a164ca11ece980d8dea09c7a -EBUILD espresso-9999.ebuild 2703 BLAKE2B f1b9f9798f07d6b5f64a23bccc1364609f05c2f1b9090ed478e208fc725f3e351bb0899414d2fea3d7a7dfb787fcb4f0e5c9436b520561b8021479971b743543 SHA512 c62e72e432146556e446616702251acb67142982100d4525fb323bd12de0f1cca8e53169b576de729d09e1964b92a2b06b96362fe70aeeff9bf5f326f54ed6df +EBUILD espresso-4.2.0.ebuild 2637 BLAKE2B 309d6ac36559ac5ac7d1854ee49a47915d483cad59cdff9ec67cefb824964489a3a963e5a189558aae3c8dd6d665d40932f003d6bb3c58ca94a788f934f89cc1 SHA512 cef75c097ef3bd43b39e5d3ece3897c66ef2919ba2231660b709bfe28f7c603980050f6e72f126589e8e1c7652cd5ad970dabafad9f18997213ff5f2b032c0a7 +EBUILD espresso-9999.ebuild 2563 BLAKE2B 45364c1756d63dc08b0d1c47da5375f57a71bd2773cb9e940a21d7e72badec3ffe38cd57f2faefe8229687fee266a3117b500f4158882349a47fa7465971fdad SHA512 3b4d732b67149a0e55fa914bf3d8e1f9da8f5bfcd0dc522af47d2f227626c037732fb78fa58909db90c5ede3ca45cc7ae019c7981c64aac8e702abe48df78c7d MISC metadata.xml 477 BLAKE2B a7d573451bf567418f804666abb37160416952f8662c79a5b36172c1358d25b985f62e20bdd11f7163a002e05c061d81331f52607c50315d477919f0c94f344b SHA512 d2fb246a3f9b2f786f7eb02b65cbcd5604daca6f4fd8ca160828e2784dc2eb9c4340bc3a8747808f2e2d193e6b27c4b9a1acfd82c3b6e0eae7788fd73f25cde2 diff --git a/sci-physics/espresso/espresso-4.2.0.ebuild b/sci-physics/espresso/espresso-4.2.0.ebuild new file mode 100644 index 000000000000..fb6b55b2bc12 --- /dev/null +++ b/sci-physics/espresso/espresso-4.2.0.ebuild @@ -0,0 +1,124 @@ +# Copyright 1999-2022 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=7 + +PYTHON_COMPAT=( python3_{8..11} ) +CMAKE_MAKEFILE_GENERATOR="emake" + +inherit cmake cuda python-single-r1 savedconfig + +DESCRIPTION="Extensible Simulation Package for Research on Soft matter" +HOMEPAGE="http://espressomd.org" + +if [[ ${PV} = 9999 ]]; then + EGIT_REPO_URI="https://github.com/${PN}md/${PN}.git" + EGIT_BRANCH="python" + inherit git-r3 +else + SRC_URI="https://github.com/${PN}md/${PN}/releases/download/${PV}/${P}.tar.gz" + KEYWORDS="~amd64 ~x86 ~amd64-linux" +fi +S="${WORKDIR}/${PN}" + +LICENSE="GPL-3" +SLOT="0" +IUSE="cuda doc examples +fftw +hdf5 test" + +# unittest_decorators not packaged +RESTRICT="test" + +REQUIRED_USE=" + ${PYTHON_REQUIRED_USE}" + +RDEPEND=" + ${PYTHON_DEPS} + $(python_gen_cond_dep ' + >=dev-python/cython-0.26.1[${PYTHON_USEDEP}] + dev-python/numpy[${PYTHON_USEDEP}] + ') + cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) + fftw? ( sci-libs/fftw:3.0 ) + dev-libs/boost:=[mpi] + hdf5? ( sci-libs/hdf5:=[mpi] ) +" + +DEPEND="${RDEPEND} + doc? ( + app-doc/doxygen[dot] + dev-texlive/texlive-latexextra + virtual/latex-base + ) +" + +DOCS=( AUTHORS NEWS Readme.md ChangeLog ) + +PATCHES=( + "${FILESDIR}/${P}-fix-disable-test.patch" +) + +src_prepare() { + use cuda && cuda_src_prepare + cmake_src_prepare +} + +src_configure() { + mycmakeargs=( + -DWITH_CUDA=$(usex cuda) + -DPYTHON_EXECUTABLE="${PYTHON}" + -DWITH_TESTS=$(usex test) + -DINSTALL_PYPRESSO=OFF + -DCMAKE_DISABLE_FIND_PACKAGE_FFTW3=$(usex !fftw) + -DWITH_HDF5=$(usex hdf5) + -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5) + -DCMAKE_SKIP_RPATH=YES + ) + cmake_src_configure +} + +src_compile() { + cmake_src_compile + use doc && cmake_build doxygen + [[ ${PV} = 9999 ]] && use doc && cmake_build ug dg tutorials +} + +src_test() { + LD_PRELOAD="${BUILD_DIR}/src/core/Espresso_core.so" cmake_src_test +} + +src_install() { + local i docdir="${S}" + + cmake_src_install + + python_optimize + + insinto /usr/share/${PN}/ + doins "${BUILD_DIR}/myconfig-sample.hpp" + + save_config "${BUILD_DIR}/src/config/myconfig-final.hpp" + + if use doc; then + dodoc -r "${BUILD_DIR}/doc/doxygen/html" + fi + + if use examples; then + insinto "/usr/share/${PN}/examples/python" + doins -r samples/${i}/. + fi +} + +pkg_postinst() { + echo + elog "Please read and cite:" + elog "ESPResSo, Comput. Phys. Commun. 174(9) ,704, 2006." + elog "https://dx.doi.org/10.1016/j.cpc.2005.10.005" + echo + elog "If you need more features, change" + elog "/etc/portage/savedconfig/${CATEGORY}/${PF}" + elog "and reemerge with USE=savedconfig" + echo + elog "For a full feature list see:" + elog "/usr/share/${PN}/myconfig-sample.hpp" + echo +} diff --git a/sci-physics/espresso/espresso-9999.ebuild b/sci-physics/espresso/espresso-9999.ebuild index 19e9be04e85a..0373c76056bf 100644 --- a/sci-physics/espresso/espresso-9999.ebuild +++ b/sci-physics/espresso/espresso-9999.ebuild @@ -1,9 +1,9 @@ -# Copyright 1999-2021 Gentoo Authors +# Copyright 1999-2022 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 -PYTHON_COMPAT=( python3_{8,9} ) +PYTHON_COMPAT=( python3_{8..11} ) CMAKE_MAKEFILE_GENERATOR="emake" inherit cmake cuda python-single-r1 savedconfig @@ -19,11 +19,14 @@ else SRC_URI="https://github.com/${PN}md/${PN}/releases/download/${PV}/${P}.tar.gz" KEYWORDS="~amd64 ~x86 ~amd64-linux" fi +S="${WORKDIR}/${PN}" LICENSE="GPL-3" SLOT="0" IUSE="cuda doc examples +fftw +hdf5 test" -RESTRICT="!test? ( test )" + +# unittest_decorators not packaged +RESTRICT="test" REQUIRED_USE=" ${PYTHON_REQUIRED_USE}" @@ -37,17 +40,18 @@ RDEPEND=" cuda? ( >=dev-util/nvidia-cuda-toolkit-4.2.9-r1 ) fftw? ( sci-libs/fftw:3.0 ) dev-libs/boost:=[mpi] - hdf5? ( sci-libs/hdf5:=[mpi] )" + hdf5? ( sci-libs/hdf5:=[mpi] ) +" DEPEND="${RDEPEND} doc? ( app-doc/doxygen[dot] dev-texlive/texlive-latexextra - virtual/latex-base )" + virtual/latex-base + ) +" -DOCS=( AUTHORS NEWS README ChangeLog ) - -S="${WORKDIR}/${PN}" +DOCS=( AUTHORS NEWS Readme.md ChangeLog ) src_prepare() { use cuda && cuda_src_prepare @@ -74,6 +78,10 @@ src_compile() { [[ ${PV} = 9999 ]] && use doc && cmake_build ug dg tutorials } +src_test() { + LD_PRELOAD="${BUILD_DIR}/src/core/Espresso_core.so" cmake_src_test +} + src_install() { local i docdir="${S}" @@ -85,12 +93,6 @@ src_install() { save_config "${BUILD_DIR}/src/config/myconfig-final.hpp" if use doc; then - [[ ${PV} = 9999 ]] && docdir="${BUILD_DIR}" - newdoc "${docdir}"/doc/dg/dg.pdf developer_guide.pdf - newdoc "${docdir}"/doc/ug/ug.pdf user_guide.pdf - for i in "${docdir}/doc/tutorials/python"/*/[0-9]*.pdf; do - newdoc "${i}" "tutorial_${i##*/}" - done dodoc -r "${BUILD_DIR}/doc/doxygen/html" fi diff --git a/sci-physics/espresso/files/espresso-4.2.0-fix-disable-test.patch b/sci-physics/espresso/files/espresso-4.2.0-fix-disable-test.patch new file mode 100644 index 000000000000..83c133df4bdd --- /dev/null +++ b/sci-physics/espresso/files/espresso-4.2.0-fix-disable-test.patch @@ -0,0 +1,12 @@ +diff --git a/src/script_interface/CMakeLists.txt b/src/script_interface/CMakeLists.txt +index a799571..9d03f33 100644 +--- a/src/script_interface/CMakeLists.txt ++++ b/src/script_interface/CMakeLists.txt +@@ -54,4 +54,6 @@ target_link_libraries( + target_include_directories(Espresso_script_interface + PUBLIC ${CMAKE_SOURCE_DIR}/src) + +-add_subdirectory(tests) ++if(WITH_TESTS) ++ add_subdirectory(tests) ++endif(WITH_TESTS) |