diff options
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 123 |
1 files changed, 59 insertions, 64 deletions
@@ -1,97 +1,92 @@ -# Maintainer: Viktor Drobot (aka dviktor) linux776 [at] gmail [dot] com +# Maintainer: Kherim Willems <aur@kher.im> +# Contributor: Viktor Drobot (aka dviktor) linux776 [at] gmail [dot] com pkgname=apbs -pkgver=3.0.0 +pkgver=3.4.1 pkgrel=2 pkgdesc="Software for biomolecular electrostatics and solvation calculations" arch=(x86_64) url="http://www.poissonboltzmann.org/" license=(custom) -depends=(python termcap swig) +depends=(python blas suitesparse lapack arpack eigen boost boost-libs metis superlu gtest) makedepends=('cmake>=3.12' make git wget) provides=(apbs) conflicts=(apbs-bin) -source=("https://github.com/Electrostatics/apbs/releases/download/v3.0.0/APBS-3.0.0_Source-Code.tar.gz" - "globals_apbs.patch") -sha256sums=('3cf8b227a205cdcbd13246489427606f256f2356343fc954734fd39975e5cbdb' - '6bc1f2dc7a454aa8b0799641f78ee571ba04795821a9bcac356cbe496bdb3df6') +source=("https://github.com/Electrostatics/apbs/archive/refs/tags/v${pkgver}.tar.gz") +sha256sums=('644e6246fd37c9dd4172fc7be1763337082ab8584dbcd53e738c831b62c89bb2') options=(!makeflags !buildflags) -prepare() { - # patch APBS building issues - cd "${srcdir}/${pkgname}-${pkgver}/apbs" - patch -Np0 -i "${srcdir}/globals_apbs.patch" - - # get external modules - cd "${srcdir}/${pkgname}-${pkgver}/apbs/externals" - - # mesh_routines - mkdir -p mesh_routines/NanoShaper/Linux64 - mkdir -p mesh_routines/msms/msms_i86_64Linux2_2.6.1 - wget https://github.com/lwwilson1/mesh_routines/releases/download/v1.5/NanoShaper_Linux64 -O mesh_routines/NanoShaper/Linux64/NanoShaper - wget https://github.com/lwwilson1/mesh_routines/releases/download/v1.5/msms.x86_64Linux2.2.6.1.staticgcc -O mesh_routines/msms/msms_i86_64Linux2_2.6.1/msms.x86_64Linux2.2.6.1.staticgcc - - # PBAM/PBSAM - git clone https://github.com/Electrostatics/pb_solvers.git pb_s_am - cd pb_s_am - git checkout 7ca2a8a491c0cf746074053005fcae026acc4da5 - cd .. - - # FETK - git clone https://github.com/Electrostatics/FETK.git fetk - cd fetk - git checkout 0c6fdeabe8929acea7481cb1480b5706b343b7e0 - cd .. - - # Geometric Flow - git clone https://github.com/Electrostatics/geoflow_c.git geoflow_c - cd geoflow_c - git checkout 99446ec841647419411d23bad632d50405913a06 - cd .. - - # TABI-PB (BEM) - git clone https://github.com/Electrostatics/TABIPB.git bem - cd bem - git checkout 322a8d66180285250cd2f01e6b60584efcba9b65 - cd .. -} - build() { - cd "${srcdir}/${pkgname}-${pkgver}/apbs" + cd "${srcdir}/${pkgname}-${pkgver}" - mkdir build + # Create empty build directory + mkdir -p build cd build - + rm -rf * + + # APBS compilation flags + APBS_STATIC_BUILD=OFF + BLA_VENDOR="OpenBLAS" + BUILD_DOC=ON + BUILD_TOOLS=ON + INSTALL_DIR=/usr + RELEASE_TYPE=Debug + ENABLE_PYGBE=ON + ENABLE_BEM=ON + ENABLE_GEOFLOW=ON + FETK_VERSION=57195e55351e04ce6ee0ef56a143c996a9aee7e2 + ENABLE_iAPBS=ON + ENABLE_OPENMP=OFF + ENABLE_PBAM=OFF + ENABLE_PBSAM=OFF + ENABLE_PYTHON=OFF + ENABLE_TESTS=ON + GET_NanoShaper=ON + PYTHON_VERSION="3.10" + + # Configure and compile cmake \ - -DCMAKE_INSTALL_PREFIX=/usr \ - -DCMAKE_BUILD_TYPE=Release \ - -DENABLE_GEOFLOW=ON \ - -DENABLE_BEM=ON \ - -DENABLE_FETK=ON \ - -DENABLE_OPENMP=ON \ - -DENABLE_PBAM=ON \ - -DENABLE_PBSAM=ON \ - -DENABLE_PYTHON=ON \ - -DENABLE_TESTS=OFF \ - -DBUILD_SHARED_LIBS=ON \ - -DBUILD_DOC=OFF \ - -Wno-dev \ + -DCMAKE_INSTALL_INCLUDEDIR="include" \ + -DBUILD_DOC=${BUILD_DOC} \ + -DAPBS_STATIC_BUILD=${APBS_STATIC_BUILD} \ + -DBUILD_TOOLS=O${BUILD_TOOLS} \ + -DCMAKE_BUILD_TYPE=$RELEASE_TYPE \ + -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR \ + -DENABLE_PYGBE=${ENABLE_PYGBE} \ + -DENABLE_BEM=${ENABLE_BEM} \ + -DENABLE_iAPBS=${ENABLE_iAPBS} \ + -DENABLE_GEOFLOW=${ENABLE_GEOFLOW} \ + -DENABLE_OPENMP=${ENABLE_OPENMP} \ + -DENABLE_PBAM=${ENABLE_PBAM} \ + -DENABLE_PBSAM=${ENABLE_PBSAM} \ + -DENABLE_PYTHON=${ENABLE_PYTHON} \ + -DENABLE_TESTS=${ENABLE_TESTS} \ + -DFETK_VERSION=${FETK_VERSION} \ + -DGET_NanoShaper=${GET_NanoShaper} \ + -DPYTHON_VERSION="${PYTHON_VERSION}" \ .. make } package() { - cd "${srcdir}/${pkgname}-${pkgver}/apbs/build" + cd "${srcdir}/${pkgname}-${pkgver}/build" # install base components make DESTDIR="$pkgdir" install # install license - install -Dm644 "${srcdir}/${pkgname}-${pkgver}/apbs/LICENSE.md" "${pkgdir}/usr/share/licenses/${pkgname}/LICENSE" + install -Dm644 "${srcdir}/${pkgname}-${pkgver}/LICENSE.md" "${pkgdir}/usr/share/licenses/${pkgname}/LICENSE" # cleanup conflicting symlinks cd "${pkgdir}/usr/lib" rm -f libamd.so libblas.so libsuperlu.so libumfpack.so + + # Remove conflicting gtest headers + cd "${pkgdir}/usr/include" + rm -rf gmock gtest + cd "${pkgdir}/usr/lib" + rm -rf cmake pkgconfig + rm -rf libgmock.so libgmock_main.so libgtest.so libgtest_main.so } |