switch to cmake, and change versioning

3 files changed, 72 insertions, 48 deletions

diff --git a/.SRCINFO b/.SRCINFO
index 71b02627eb7e..9963bc28d70a 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,17 +1,18 @@
 pkgbase = lammps
 	pkgdesc = Large-scale Atomic/Molecular Massively Parallel Simulator.
-	pkgver = 12Dec18
+	pkgver = 20181212
 	pkgrel = 1
 	url = http://lammps.sandia.gov/
-	arch = i686
 	arch = x86_64
 	license = GPL
+	makedepends = cmake
 	depends = fftw
 	depends = openmpi
-	source = http://lammps.sandia.gov/tars/lammps-stable.tar.gz
-	source = fftw3.patch
-	md5sums = bdba3f57e598be61762a57bff5d7fbfb
-	md5sums = 995c3d49f0df9c28f287fca0a3ea0752
+	optdepends = kim-api: support for OpenKIM potentials
+	optdepends = python-sphinx: install to build documentation
+	optdepends = lammpsdoc: install to build documentation
+	source = lammps-12Dec2018.tar.gz::https://github.com/lammps/lammps/archive/stable_12Dec2018.tar.gz
+	sha512sums = 0245576b592d93225daab9e01f82ef2fc0212a4f4df63ecf1fe58b364b2abe2c2a142f7b33a742dbd785cb19f06af7f9522a4bedbe510d26445d2e76c0015c09
 
 pkgname = lammps
 
diff --git a/PKGBUILD b/PKGBUILD
index eb8d87c64803..a11a7b1d898f 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -1,38 +1,75 @@
-# Maintainer: xpt <user.xpt@gmail.com>
+# Maintainer: physkets <physkets // at // tutanota dot com>
+# Contributor: xpt <user.xpt@gmail.com>
 pkgname=lammps  
-pkgver=12Dec18
+pkgver=20181212
+_pkgver=$(date -d ${pkgver} +%-d%b%Y)
 pkgrel=1
 pkgdesc="Large-scale Atomic/Molecular Massively Parallel Simulator."
 url="http://lammps.sandia.gov/"
-arch=('i686' 'x86_64')
+arch=('x86_64')
 license=('GPL')
 depends=('fftw' 'openmpi')
-makedepends=()
-source=(http://lammps.sandia.gov/tars/lammps-stable.tar.gz
-  fftw3.patch)
-md5sums=('bdba3f57e598be61762a57bff5d7fbfb'
-         '995c3d49f0df9c28f287fca0a3ea0752')
+makedepends=('cmake')
+optdepends=('kim-api: support for OpenKIM potentials'
+            'python-sphinx: install to build documentation'
+            'lammpsdoc: install to build documentation')
+source=("${pkgname}-${_pkgver}.tar.gz::https://github.com/${pkgname}/${pkgname}/archive/stable_${_pkgver}.tar.gz")
+sha512sums=('0245576b592d93225daab9e01f82ef2fc0212a4f4df63ecf1fe58b364b2abe2c2a142f7b33a742dbd785cb19f06af7f9522a4bedbe510d26445d2e76c0015c09')
+
+_BUILD_DOC=false
+# Set the above to 'true' if you want local documentation
+# You will also have to install the relevant optional dependencies
+# 'python-sphinx' is in the repos,
+# while lammpsdoc is available via the AUR package 'lammpsdoc-git'
+
+prepare(){
+  cd "${pkgname}-stable_${_pkgver}"
+  mkdir -p build
+}
+
 build() {
-  cd $srcdir/$pkgname-$pkgver/src
-  patch -Np0 < ../../fftw3.patch
-  # add whatever package you need in here.
-  make yes-user-sph
-  
-  make mpi || return 1
+  cd "${pkgname}-stable_${_pkgver}/build"
+  cmake ../cmake \
+        -DCMAKE_INSTALL_PREFIX="/usr" \
+        -DCMAKE_INSTALL_LIBDIR="lib" \
+        -DCMAKE_INSTALL_LIBEXECDIR="/usr/lib" #\
+        #-DPKG_KIM=yes # KIM package
+        # Add options for additional packages
+        #-DPKG_<NAME>=yes
+
+  make
+
+  if _BUILD_DOC ; then
+    # Generate ReStructuredText from Text files
+    mkdir -p rst
+
+    for file in ../doc/src/*.txt
+    do
+      tmp=${file%.*} # Strips the '.txt' extension
+      fname=${tmp##*/} # Strips the path prefixing the file-name
+      txt2rst ${file} > "rst/${fname}.rst"
+    done
+
+    # Generate HTML from ReStructuredText files
+    mkdir -p html
+    cp -r ../doc/src/* rst/
+
+    sphinx-build -b html -c "../doc/utils/sphinx-config" -d "doctrees" "rst" html
+  fi
 }
 
 package() {
-  mkdir -p $pkgdir/usr/share/$pkgname
-  mkdir -p $pkgdir/usr/share/doc/$pkgname
-  mkdir -p $pkgdir/usr/share/doc/$pkgname/bench
-  mkdir -p $pkgdir/usr/share/doc/$pkgname/examples
-  cd $srcdir/$pkgname-$pkgver
-  install -Dm 755 src/lmp_mpi $pkgdir/usr/bin/lmp_mpi
-  install -Dm 644 LICENSE $pkgdir/usr/share/licenses/$pkgname/LICENSE
-  install -dm 644 doc/ $pkgdir/usr/share/doc/$pkgname
-  cp -r --no-preserve='ownership' doc/* $pkgdir/usr/share/doc/$pkgname
-  install -dm 644 bench/ $pkgdir/usr/share/$pkgname/bench
-  cp -r --no-preserve='ownership' bench/* $pkgdir/usr/share/doc/$pkgname/bench
-  install -dm 644 examples/ $pkgdir/usr/share/$pkgname/examples
-  cp -r --no-preserve='ownership' examples/* $pkgdir/usr/share/doc/$pkgname/examples
-} 
+  cd "${pkgname}-stable_${_pkgver}/build"
+  make DESTDIR="${pkgdir}" install
+  if _BUILD_DOC ; then
+    install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html" "html/"*.html
+    install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html" "html/"*.js
+    install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_images" "html/_images/"*
+    install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static" "html/_static/"*.png
+    install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static" "html/_static/"*.gif
+    install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static" "html/_static/"*.js
+    install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static/css" "html/_static/css/"*.css
+    install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static/fonts" "html/_static/fonts/"*
+    install -Dm644 -t "${pkgdir}/usr/share/doc/${pkgname}/html/_static/js" "html/_static/js/"*.js
+  fi
+}
diff --git a/fftw3.patch b/fftw3.patch
deleted file mode 100644
index d92a649ca3d6..000000000000
--- a/fftw3.patch
+++ /dev/null
@@ -1,14 +0,0 @@
---- MAKE/Makefile.mpi.old	2014-10-06 17:59:58.000000000 -0300
-+++ MAKE/Makefile.mpi	2015-07-17 19:22:09.251812181 -0300
-@@ -50,9 +50,9 @@
- # PATH = path for FFT library
- # LIB = name of FFT library
- 
--FFT_INC =    	
-+FFT_INC =    -DFFT_FFTW3
- FFT_PATH = 
--FFT_LIB =	
-+FFT_LIB =	-lfftw3
- 
- # JPEG and/or PNG library
- # see discussion in Section 2.2 (step 7) of manual