diff options
| author | Anton Kudelin | 2024-01-27 12:07:57 +0200 |
|---|---|---|
| committer | Anton Kudelin | 2024-01-27 12:07:57 +0200 |
| commit | 7932eef4602c1c2872dd374f0ad45131130b1d91 (patch) | |
| tree | 547165a73e93a0be40ed9f9baf41706ce74a4b27 /PKGBUILD | |
| parent | c2f22714c1236330848585ade2ede6441eea5edb (diff) | |
| download | aur-gamess.tar.gz | |
updpkg: 2023R2
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 41 |
1 files changed, 24 insertions, 17 deletions
@@ -3,39 +3,46 @@ # Contributor: Gao xiang<hughgao01@gmail.com> pkgname=gamess -pkgver=2023R1 +pkgver=2023R2 pkgrel=1 pkgdesc="The General Atomic and Molecular Electronic Structure System" -arch=('x86_64') +arch=(x86_64) url="https://www.msg.chem.iastate.edu/gamess/gamess.html" -license=('custom') -depends=('tcsh' 'blas' 'lapack' 'python' 'libxc' 'perl') -makedepends=('python-jinja' 'gcc-fortran') -checkdepends=('inetutils') -install=$pkgname.install +license=(custom) +depends=(tcsh blas lapack libxc python perl) +makedepends=(python-jinja gcc-fortran) +checkdepends=(inetutils) # You have to get the package from the official website # and put into the current directory. -source=("local://gamess-current.tar.gz" - "comp.patch" - "make.patch") -sha256sums=('8cb9699780de630bb6db43d7f6fc4cc5bdaab12327f1318c861b52579cfeb8a3' - '9b213587448042e4a0db5da9993b2d3124e1c17bb969b98b35989c2c68c31f49' - '59302a769de5d12821d76763f9fc03f5d90e06063492aaea57b00c2c134457ca') +source=(local://gamess-current.tar.gz + comp.patch + make.patch) +md5sums=('489a8516c5a597d152b38264f42db519' + '9b079fc23ac8d054e153bff6f77de68f' + 'a3c47d13c969a1a86c646673128ef187') +sha256sums=('2b7cf4af17fb2eab5bf3609bf820437728cd36d87f44857dce25bafa9e9622ad' + 'd666753d2916107fcddbc8d9a9518f56774e8865e3b9d8e858a93f9277f67e6f' + '320015bbc221db06520aa842eac79f28c31b67ea434929659bffd70048ab32e5') +install=$pkgname.install prepare() { cd "$srcdir/$pkgname" # You may comment out two lines below to let GAMESS choose compiler options. - patch -p1 < "$srcdir/comp.patch" - echo "Compiler flags '-O2 -march=native -mno-fma' are enabled by default." + patch -p0 < "$srcdir/comp.patch" + + # Fixing compddi + sed -i "s@set ARCH='-m64'@set ARCH='-march=native'@g" ddi/compddi # Shared LIBXC - sed -i 's@$GMS_PATH/3rd-party/lib/libxcf03.a $GMS_PATH/3rd-party/lib/libxc.a@-lxcf03 -lxc@g' lked + sed -i \ + 's@$GMS_PATH/3rd-party/lib/libxcf03.a $GMS_PATH/3rd-party/lib/libxc.a@-lxcf03 -lxc@g' \ + lked patch -p0 < "$srcdir/make.patch" # Blas-agnostic - sed -i 's/-lopenblas/-lblas/g' lked + sed -i 's/-lopenblas/-lblas -llapack/g' lked # Fixing rungms sed -i 's@/install.info@./install.info@g' rungms |