Initial import

2 files changed, 83 insertions, 0 deletions

diff --git a/.SRCINFO b/.SRCINFO
new file mode 100644
index 000000000000..95e4b9b144b4
--- /dev/null
+++ b/.SRCINFO
@@ -0,0 +1,23 @@
+pkgbase = gromacs-4.5-complete
+	pkgdesc = A versatile package to perform molecular dynamics. Last stable release of 4.5.x version series. Single and Double precision; Sources; Doxygen documentation
+	pkgver = 4.5.7
+	pkgrel = 1
+	url = http://www.gromacs.org/
+	arch = i686
+	arch = x86_64
+	license = GPL
+	makedepends = cmake
+	depends = fftw
+	depends = lesstif
+	depends = perl
+	depends = libxml2
+	depends = libsm
+	depends = libx11
+	depends = doxygen
+	options = !libtool
+	source = ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.5.7.tar.gz
+	md5sums = 24febafaf51be785b1c755ef679bea08
+	sha1sums = f2fb59bcfb45043d8dd72122629fc23d7e2b800f
+
+pkgname = gromacs-4.5-complete
+
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..920f3642caa1
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,60 @@
+# Contributor: Hector <hsearaDOTatDOTgmailDOTcom>
+
+pkgname=gromacs-4.5-complete
+pkgver=4.5.7
+pkgrel=1
+pkgdesc='A versatile package to perform molecular dynamics. Last stable release of 4.5.x version series. Single and Double precision; Sources; Doxygen documentation'
+url='http://www.gromacs.org/'
+license=("GPL")
+arch=('i686' 'x86_64')
+depends=('fftw' 'lesstif' 'perl' 'libxml2' 'libsm' 'libx11' 'doxygen')
+options=('!libtool')
+makedepends=('cmake')
+source=(ftp://ftp.gromacs.org/pub/gromacs/gromacs-$pkgver.tar.gz)
+md5sums=('24febafaf51be785b1c755ef679bea08')
+sha1sums=('f2fb59bcfb45043d8dd72122629fc23d7e2b800f')
+
+build() {
+  mkdir -p ${srcdir}/{single,double}
+
+  msg2 "Building the single precision files"
+  cd ${srcdir}/single
+  cmake ../gromacs-$pkgver \
+    -DCMAKE_PREFIX=/usr/local/gromacs/gromacs-$pkgver \
+    -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromacs-$pkgver \
+    -DGMX_SHARED_LIBS=ON
+  make
+
+  msg2 "Building the doulbe precision files"
+  cd ${srcdir}/double
+  cmake ../gromacs-$pkgver \
+    -DCMAKE_PREFIX=/usr/local/gromacs/gromacs-$pkgver \
+    -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromacs-$pkgver \
+    -DGMX_SHARED_LIBS=ON \
+    -DGMX_DOUBLE=ON
+  make
+
+  msg2 "Building doxygen documentation"
+  cd ../gromacs-$pkgver
+  ./configure
+  doxygen
+}
+
+package() {
+  msg2 "Making the single precision executables"
+  cd ${srcdir}/single 
+  make DESTDIR=${pkgdir} install
+
+  msg2 "Making the double precision executables"
+  cd ${srcdir}/double
+  make DESTDIR=${pkgdir} install
+
+  msg2 "Installing doxygen documentation"
+  cd ${srcdir}/gromacs-$pkgver
+  cp -r doxygen-doc $pkgdir/usr/local/gromacs/gromacs-$pkgver
+
+  msg2 "Installing Sources"
+  cd ${srcdir}/gromacs-$pkgver 
+  cp -r src  $pkgdir/usr/local/gromacs/gromacs-$pkgver
+  chown -R 644 $pkgdir/usr/local/gromacs/gromacs-$pkgver/src
+}