1 files changed, 47 insertions, 0 deletions
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..7881efcddcd9
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,47 @@
+# Maintainer: Viktor Drobot (aka dviktor) linux776 [at] gmail [dot] com
+
+pkgname=molblocks
+pkgver=0.1
+pkgrel=1
+pkgdesc="A suite to break small molecules into chemically meaningful fragments"
+url="https://compbio.cs.princeton.edu/molblocks/"
+license=("GPL3")
+arch=(x86_64)
+depends=(openbabel2)
+makedepends=(gcc patch make)
+source=("https://compbio.cs.princeton.edu/molblocks/molblocks.tar.gz"
+        "fix_linking.patch")
+sha1sums=('f9cf416d89a282e6dd75a114faef9aa822ded6a6'
+          'ef8909111347af97ef4c70e296f6d881fbb2a892')
+
+prepare() {
+  cd "${srcdir}/molblocks"
+
+  patch -Np0 -i "${srcdir}/fix_linking.patch"
+}
+
+build() {
+  cd "${srcdir}/molblocks"
+
+  make
+}
+
+
+package() {
+  cd "${srcdir}/molblocks"
+
+  # create directories
+  mkdir -p "${pkgdir}/usr/bin"
+  mkdir -p "${pkgdir}/usr/share/molblocks"
+
+  # install binaries
+  install -Dm755 "${srcdir}/molblocks/analyze" "${pkgdir}/usr/bin/mb-analyze"
+  install -Dm755 "${srcdir}/molblocks/fragment" "${pkgdir}/usr/bin/mb-fragment"
+
+  # install data
+  cp -r "${srcdir}/molblocks/exampleAntiNeopl" "${pkgdir}/usr/share/molblocks/"
+  cp -r "${srcdir}/molblocks/exampleCephalosp" "${pkgdir}/usr/share/molblocks/"
+  install -Dm644 "${srcdir}/molblocks/BRICS.txt" "${pkgdir}/usr/share/molblocks/BRICS.txt"
+  install -Dm644 "${srcdir}/molblocks/CCQ.txt" "${pkgdir}/usr/share/molblocks/CCQ.txt"
+  install -Dm644 "${srcdir}/molblocks/RECAP.txt" "${pkgdir}/usr/share/molblocks/RECAP.txt"
+}