3 files changed, 147 insertions, 0 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index cfe67467df7a..37ce7f0b44b5 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
diff --git a/sci-chemistry/modeller/Manifest b/sci-chemistry/modeller/Manifest
index cfb2192a463e..29be65387604 100644
--- a/sci-chemistry/modeller/Manifest
+++ b/sci-chemistry/modeller/Manifest
@@ -1,3 +1,5 @@
 DIST modeller-9.20.tar.gz 34909796 BLAKE2B d89c81823c4d7784a7b3d64fdb01158a973edc7d8b316c773e038ba8645797c543d5bc58c1bff5462ae5975a6c2796f4b2d500641d226c3b2281cf794cfeba8d SHA512 667edeeda0a9038258f6932b3cef22a1e9d0fe47f47bd2ac612e7bac7f23a863f5a65cfd93abfa405310e7fb7b305d53e71d6c6e930613b0dbd43b24dcd5919a
+DIST modeller-9.22.tar.gz 34953371 BLAKE2B 3bf8828b38f22955dea973cfe54cbd2f77bf021900bd5aa3c75f083b12e2a7199c3173de526acfeab005c0606816bac347b9bdfb6b62d5e3db9c9e18fed99ac4 SHA512 0056f09a07d6e2b565c8f4accca48ad176c9d32634b75bc4db60a187d56f22ef1710296dfd31bf27f496c5ed100146420be7cfdb135ca8b2b0fac7d7f5fa877f
 EBUILD modeller-9.20.ebuild 3694 BLAKE2B 59c5b091ae6c539f5fdfc962540f7af3db431b17b0e25b092822592b42db21dd70b20e25061008f787de8eb8e515bb4c4ee35a532ace514c28ac30625b08fb15 SHA512 19b8372748da5d9e6b3335a88e0dd6a29d25d2dee559cd533333480954ce633f31a2f878c45f425f96cc90ae6aed33cc6df400ab95c542cda424416d069c8764
+EBUILD modeller-9.22.ebuild 3679 BLAKE2B 8e04f3bcc3408e56397674a4839525cddb4b25d8558829e45f24e38208b08364a7b342ff52851a7265cd10cdee609b6f31c3b43031f5607684318a27a1cd0cd2 SHA512 f07e2b30ed1fecefdc3e25ed287b4bc4af285ec9fef8f461a6c0320d6f8c73166a481951f7baa0ca000dd94940c7293b4b05a8a3e34a826be968067bfbe973b8
 MISC metadata.xml 265 BLAKE2B d5a98b9309829a0486c4b8a4336c2d24a0fe34e926d52afd0cc87e16fcc887ca4c18851e58afb33866823121fa8f221a90e0d726dbd85552a4caf66cf03b7b4a SHA512 470f6c178e88c4e83afa46d5e901a45fc2427a779ae832df7fa2d6e25e9e8b4ce77cd3a8fe191e6242d6df3b673f0de6b4f90f1e147aa8b8dd566f18163cc73a
diff --git a/sci-chemistry/modeller/modeller-9.22.ebuild b/sci-chemistry/modeller/modeller-9.22.ebuild
new file mode 100644
index 000000000000..57f11e16861f
--- /dev/null
+++ b/sci-chemistry/modeller/modeller-9.22.ebuild
@@ -0,0 +1,145 @@
+# Copyright 1999-2019 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+PYTHON_COMPAT=( python2_7 )
+
+inherit distutils-r1 eutils multilib
+
+DESCRIPTION="Homology or comparative modeling of protein three-dimensional structures"
+HOMEPAGE="https://salilab.org/modeller/"
+SRC_URI="https://salilab.org/${PN}/${PV}/${P}.tar.gz"
+
+LICENSE="modeller"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="doc examples"
+SLOT="0"
+
+RESTRICT="mirror"
+
+DEPEND=">=dev-lang/swig-1.3"
+RDEPEND=""
+
+INPATH="${EPREFIX}"/opt/modeller${ver}
+
+QA_PREBUILT="/opt/*"
+
+pkg_setup() {
+	case ${ARCH} in
+		x86)
+			EXECTYPE="i386-intel8";;
+		amd64)
+			EXECTYPE="x86_64-intel8";;
+		*)
+			die "Your arch "${ARCH}" does not appear supported at this time.";;
+	esac
+}
+
+python_prepare_all(){
+	sed "s:i386-intel8:${EXECTYPE}:g" -i src/swig/setup.py || die
+	distutils-r1_python_prepare_all
+}
+
+python_compile(){
+	cd src/swig || die
+	swig -python -keyword -nodefaultctor -nodefaultdtor -noproxy modeller.i || die
+	distutils-r1_python_compile
+}
+
+python_install() {
+	cd src/swig || die
+	distutils-r1_python_install
+}
+
+python_install_all(){
+	cd "${S}" || die
+	sed \
+		-e "/^EXECUTABLE_TYPE/s:xxx:${EXECTYPE}:g" \
+		-e "/MODINSTALL/s:xxx:\"${INPATH}\":g" \
+		-i bin/modscript || die
+
+	sed -e "s;@TOPDIR\@;\"${INPATH}\";" \
+		-e "s;@EXETYPE\@;${EXECTYPE};" \
+		bin/modpy.sh.in > "${T}/modpy.sh"
+
+	insinto ${INPATH}
+	doins -r modlib
+	python_foreach_impl python_domodule modlib/modeller
+
+	insinto ${INPATH}/bin
+	doins -r bin/{lib,*top}
+
+	exeinto ${INPATH}/bin
+	doexe bin/{modscript,mod${PV}_${EXECTYPE}} "${T}"/modpy.sh
+
+	python_foreach_impl python_doscript bin/modslave.py
+	dosym ${INPATH}/bin/modscript /opt/bin/mod${PV}
+	dosym ${INPATH}/bin/modpy.sh /opt/bin/modpy.sh
+
+	exeinto ${INPATH}/lib/${EXECTYPE}/
+	doexe lib/${EXECTYPE}/lib*
+	dosym libmodeller.so.8 ${INPATH}/lib/${EXECTYPE}/libmodeller.so
+	dosym ../../${INPATH}/lib/${EXECTYPE}/libmodeller.so.8 /usr/$(get_libdir)/libmodeller.so.8
+
+	use doc && HTML_DOCS=( doc/. )
+	distutils-r1_python_install_all
+
+	if use examples; then
+		insinto /usr/share/${PN}/
+		doins -r examples
+	fi
+
+	insinto /etc/revdep-rebuild
+	cat >> "${T}"/40-${PN} <<- EOF
+	SEARCH_DIRS_MASK="${EPREFIX}/opt/modeller/lib/"
+	EOF
+	doins "${T}"/40-${PN}
+}
+
+pkg_postinst() {
+	if [[ ! -e "${INPATH}/modlib/modeller/config.py" ]]; then
+		echo install_dir = \"${INPATH}/\"> ${INPATH}/modlib/modeller/config.py
+	fi
+
+	if grep -q license ${INPATH}/modlib/modeller/config.py; then
+		einfo "A license key file is already present in ${IN_PATH}/modlib/modeller/config.py"
+	else
+		ewarn "Obtain a license Key from"
+		ewarn "http://salilab.org/modeller/registration.html"
+		ewarn "And run this before using modeller:"
+		ewarn "emerge --config =${CATEGORY}/${PF}"
+		ewarn "That way you can [re]enter your license key."
+	fi
+}
+
+pkg_postrm() {
+	ewarn "This package leaves a license Key file in ${INPATH}/modlib/modeller/config.py"
+	ewarn "that you need to remove to completely get rid of modeller."
+}
+
+pkg_config() {
+	ewarn "Your license key is NOT checked for validity here."
+	ewarn "  Make sure you type it in correctly."
+	eerror "If you CTRL+C out of this, modeller will not run!"
+	while true
+	do
+		einfo "Please enter your license key:"
+		read license_key1
+		einfo "Please re-enter your license key:"
+		read license_key2
+		if [[ "$license_key1" == "" ]]
+		then
+			echo "You entered a blank license key.  Try again."
+		else
+			if [[ "$license_key1" == "$license_key2" ]]
+			then
+				echo license = '"'$license_key1'"' >> "${INPATH}/modlib/modeller/config.py"
+				einfo "Thank you!"
+				break
+			else
+				eerror "Your license key entries do not match.  Try again."
+			fi
+		fi
+	done
+}