init

4 files changed, 87 insertions, 0 deletions

diff --git a/.SRCINFO b/.SRCINFO
new file mode 100644
index 000000000000..d1f114242dc6
--- /dev/null
+++ b/.SRCINFO
@@ -0,0 +1,14 @@
+pkgbase = mgltools-bin
+	pkgdesc = Visualization and analysis of molecular structures; includes AutoDockTools, Vision and PythonMoleculeViewer (includes Python 2.5)
+	pkgver = 2015.01.22
+	pkgrel = 1
+	url = http://mgltools.scripps.edu/
+	arch = x86_64
+	license = custom
+	source = http://mgltools.scripps.edu/downloads/tars/releases/nightly/latest/REL/mgltools_x86_64Linux2_latest.tar.gz
+	source = remove_licence_popup.patch
+	md5sums = SKIP
+	md5sums = 7f2e0c303999deffe2879e466ae28be7
+
+pkgname = mgltools-bin
+
diff --git a/.gitignore b/.gitignore
new file mode 100644
index 000000000000..e10661552b22
--- /dev/null
+++ b/.gitignore
@@ -0,0 +1,3 @@
+src/
+pkg/
+*tar*
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..d34b5caedb67
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,52 @@
+# Maintainer: Nikos Fytilis ( n-fit at live.com )
+
+_pkgname=mgltools
+pkgname=mgltools-bin
+pkgver=2015.01.22
+pkgrel=1
+pkgdesc="Visualization and analysis of molecular structures; includes AutoDockTools, Vision and\
+ PythonMoleculeViewer (includes Python 2.5)"
+arch=('x86_64')
+url="http://mgltools.scripps.edu/"
+license=('custom')
+source=(http://mgltools.scripps.edu/downloads/tars/releases/nightly/latest/REL/mgltools_x86_64Linux2_latest.tar.gz
+'remove_licence_popup.patch')
+md5sums=('SKIP'
+'7f2e0c303999deffe2879e466ae28be7')
+#"http://mgltools.scripps.edu/downloads/tars/releases/nightly/${pkgver}/REL\${_pkgname}_x86_64Linux2_${pkgver}.tar.gz")
+#options=('!emptydirs')
+#depends=('swig' 'tk' 'python2-numpy' 'python2-imaging' 'python2-pmw' 'glut' 'python2-zsi' 
+#        'python2-simpy' 'libxmu' 'python2-backports.ssl' 'python2-colorama' 'python2-dateutil'
+#        'ipython2' 'python2-apache-libcloud' 'python2-matplotlib' 'python2-pygments'
+#        'python2-pyside' 'python2-pytz' 'python2-pyzmq')
+#optdepends=('autodocksuite')
+
+pkgver() {
+  curl_output="$(curl http://mgltools.scripps.edu/downloads/tars/releases/nightly/latest/REL/)"
+  echo "$curl_output" | grep -A 1 'mgltools_x86_64Linux2_latest.tar.gz">mgl'\
+ | tail -n1 | tr -d '[a-z]:<>+;&=' | sed 's/\/\///g' | tr -s ' ' | tr '/' '.' | cut -d ' ' -f 3
+}
+
+prepare() {
+  patch -p1 -i $srcdir/remove_licence_popup.patch
+}
+
+package() {
+  cd "$srcdir/${_pkgname}_x86_64Linux2_latest"
+  mkdir -p $pkgdir/usr/bin/ $pkgdir/opt/$_pkgname
+  yes y| ./install.sh -d "$pkgdir/opt/$_pkgname"
+  cd "$pkgdir/"
+#  asd=( `find "./opt/$_pkgname/bin/"  -type f`)
+  asd=( ./opt/$_pkgname/bin/pythonsh )
+  dasd=( `find "./opt/$_pkgname/MGLToolsPckgs/" -name '*.py' `)
+  for i in ${asd[@]}
+    do echo "LD_PRELOAD='/usr/lib/libstdc++.so.6 /usr/lib/libgcc_s.so.1 /usr/lib/libxcb.so.1'" $(echo $i | sed 's/^.//g') '$@' > ./usr/bin/$(basename $i)-mg
+    if [ "$(grep MGL_ROOT\= $i 2> /dev/null)" ]
+      then sed "/MGL_ROOT\=/c\MGL_ROOT=\"/opt/$_pkgname\"" -i $i
+    fi
+  done
+  for i in ${dasd[@]}
+    do sed -e 's/\/usr\/bin\/env python/\/usr\/bin\/env pythonsh-mg/g' -i $i
+  done
+  chmod +x ./usr/bin/*
+}
diff --git a/remove_licence_popup.patch b/remove_licence_popup.patch
new file mode 100644
index 000000000000..9b2b42c459e3
--- /dev/null
+++ b/remove_licence_popup.patch
@@ -0,0 +1,18 @@
+--- mgltools_x86_64Linux2_latest/Tools/install.py	2015-01-23 02:10:22.000000000 +0200
++++ src/mgltools_x86_64Linux2_latest/Tools/install.py	2017-04-04 10:17:18.032117465 +0300
+@@ -337,15 +337,7 @@
+ f.write(alias_sh)
+ f.close()
+ 
+-#license part:
+-
+-licensefile = os.path.join(mgl_root, mglPckgsDir, "mglutil", "splashregister", "license.py")
+-
+-os.chdir(mgl_root)
+-#print "license part, current directory:", os.getcwd()
+-
+ pythonscript = os.path.join(mgl_root, "bin", "pythonsh")
+-status = os.system("%s %s"%(pythonscript, licensefile))
+ 
+ print """\n MGLTools installation complete.
+ To run pmv, adt, vision or pythonsh scripts located at: