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# Contributor: Constantine Evans <const@costi.eu>
pkgname=oxdna-cuda
pkgdesc="DNA/RNA/etc simulator, with CUDA support and analysis tools."
url="https://github.com/lorenzo-rovigatti/oxDNA"
pkgver=3.6.0
arch=('x86_64')
license=('GPL3')
provides=('oxdna')
conflicts=('oxdna')
pkgrel=1
depends=('python3' 'python-matplotlib' 'python-scikit-learn' 'python-setuptools' 'python-biopython' 'ipython')
makedepends=('git' 'cmake' 'gsl' 'cuda' 'gcc12' 'python-build' 'python-wheel' 'python-installer' 'cython' 'python-setuptools-scm')
optdepends=('python-matplotlib: for plotting')
source=("https://github.com/lorenzo-rovigatti/oxDNA/archive/refs/tags/v3.6.0.tar.gz")
sha256sums=('61426ee9444cf6bb53078efe773f54f8fde0c7071c147655aa2136b4212c9fec')
build() {
cmake -B build -S "oxDNA-${pkgver}" \
-DCMAKE_BUILD_TYPE='None' \
-DCMAKE_INSTALL_PREFIX='/usr' \
-DCMAKE_C_COMPILER='gcc-12' \
-DCMAKE_CXX_COMPILER='g++-12' \
-Wno-dev \
-DCUDA=ON \
-DPython=ON \
-DCMAKE_SKIP_RPATH=YES \
-DCMAKE_INSTALL_LIBDIR='lib/oxdna' \
-DOxpySystemInstall=ON
cmake --build build
cd "oxDNA-${pkgver}/analysis"
python -m build --no-isolation --wheel
}
package() {
DESTDIR="$pkgdir" cmake --install build
install -Dm755 "${srcdir}/build/bin/oxDNA" "${pkgdir}/usr/bin/oxDNA"
install -Dm755 "${srcdir}/build/bin/DNAnalysis" "${pkgdir}/usr/bin/DNAnalysis"
install -Dm755 "${srcdir}/build/bin/confGenerator" "${pkgdir}/usr/bin/confGenerator"
cd "oxDNA-${pkgver}/analysis"
python -m installer --destdir="$pkgdir" dist/*.whl
cd "${srcdir}/build/oxpy/python/oxpy"
python setup.py install --root="$pkgdir" --optimize=1
install -Dm644 "${srcdir}/build/src/liboxdna_common.so" "${pkgdir}/usr/lib/liboxdna_common.so"
}
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