diff options
-rw-r--r-- | sci-chemistry/pymol/ChangeLog | 6 | ||||
-rw-r--r-- | sci-chemistry/pymol/Manifest | 5 | ||||
-rw-r--r-- | sci-chemistry/pymol/metadata.xml | 2 | ||||
-rw-r--r-- | sci-chemistry/pymol/pymol-9999-r1.ebuild | 128 |
4 files changed, 139 insertions, 2 deletions
diff --git a/sci-chemistry/pymol/ChangeLog b/sci-chemistry/pymol/ChangeLog index c4f61eae7..25218ea21 100644 --- a/sci-chemistry/pymol/ChangeLog +++ b/sci-chemistry/pymol/ChangeLog @@ -2,6 +2,12 @@ # Copyright 1999-2009 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*pymol-9999-r1 (09 Jul 2009) + + 09 Jul 2009; Justin Lecher (jlec) <jlec@j-schmitz.net> + +pymol-9999-r1.ebuild, metadata.xml: + added vmd and numpy support + *pymol-1.2_rc1 (09 Jul 2009) 09 Jul 2009; Justin Lecher (jlec) <jlec@j-schmitz.net> diff --git a/sci-chemistry/pymol/Manifest b/sci-chemistry/pymol/Manifest index 77a0c0422..8567d7166 100644 --- a/sci-chemistry/pymol/Manifest +++ b/sci-chemistry/pymol/Manifest @@ -11,6 +11,7 @@ DIST apbs_tools.py.090618.bz2 21329 RMD160 80baed718524dfbaff2f0a3b7263fc75c55bf EBUILD pymol-1.2_beta8.ebuild 2707 RMD160 8329ceb3b22bbebe66e62d6bb5f78e39edd9ce22 SHA1 062f9887da79aa83325463ae350e290a275dfef4 SHA256 efa34926bd8545b707728c05184b1a5cf8c2bbd2bcd796439577e5e996fe7c4a EBUILD pymol-1.2_rc0.ebuild 2701 RMD160 8c96742b4918d7e85ab837058e17de06049928d5 SHA1 b9fc184ab749f041b72055e3854eedd31671bddd SHA256 b92ddfb95ef06c23610563e29f37616005c0191efba5056295d9ae879b5055f8 EBUILD pymol-1.2_rc1.ebuild 2701 RMD160 3f7e94a8bdbfe402581a90333c5193e74c475bca SHA1 444ec483ea7ce62d2e013c2be2b45885039900c1 SHA256 1aef2304bb1bd6e3a22d463a9f89ee33ac0def10e3d1fe9d5740ba05e79c6f71 +EBUILD pymol-9999-r1.ebuild 2956 RMD160 24c4e12e54b8a9c46b50aa61fa3a671f0a1c1bb5 SHA1 b861bbc4b7581ca9cc91b57655f497a0e4b00b95 SHA256 1e1553260566bf2b60279557f0b1be75c677dec9024b2156835830292281f77b EBUILD pymol-9999.ebuild 2683 RMD160 88d12ca9a986ecc0302f61c91bd200586cd436d7 SHA1 b78fc6bdf86093dcc6af7b1f894effc989ca30d5 SHA256 5d2abaa80808a07c74c6dc2145ea15a29bfce17dc0fdd69186ef601c72b0af07 -MISC ChangeLog 3979 RMD160 64323b8913e8c72cf7d4050b4bcf057d6fd479ad SHA1 f4ae54a50688f5564dffb3ba406188d22915d9dd SHA256 d2994678c9bca0550ce178d214bf1fceb799fd67b2a9f3d1910b878f4a93634d -MISC metadata.xml 297 RMD160 431061f6875f90a251ae90c5fc5be499da78c9d8 SHA1 b01c71fad62ac24b76a45536f6ddeae3904558dd SHA256 fbe32692a4ff6e595966ca094d9d12912952aaeb639d248fdbd0ed2a9a088d75 +MISC ChangeLog 4136 RMD160 e7b63274473188bc315a1cc2c16be60cdfd2deb9 SHA1 0d0e21f3c87ddba0a3d3c5d4c2f17d6be04615a0 SHA256 dee24ceda6a171849e82c3c02a204d2f5e86e61c5e1f42a0185be3ecbcf4f210 +MISC metadata.xml 412 RMD160 9c33c90cdb3bc60af7dbee004b7f1cffd1b43aa6 SHA1 efd4a32d739fe54f0f464edc0843c81e9fb23437 SHA256 ee0056aa8c9e40b6da007fa8c895e15c17cb25004212b91d48dad03f6123483c diff --git a/sci-chemistry/pymol/metadata.xml b/sci-chemistry/pymol/metadata.xml index 1b9609b2a..f4c6f8e38 100644 --- a/sci-chemistry/pymol/metadata.xml +++ b/sci-chemistry/pymol/metadata.xml @@ -7,5 +7,7 @@ <use> <flag name='apbs'>Pymol supprt for sci-chemistry/apbs</flag> <flag name='shaders'>Enable shaders support for Pymol</flag> + <flag name='numpy'>Enable numpy support for Pymol</flag> + <flag name='vmd'>Builds molfile plugin support</flag> </use> </pkgmetadata> diff --git a/sci-chemistry/pymol/pymol-9999-r1.ebuild b/sci-chemistry/pymol/pymol-9999-r1.ebuild new file mode 100644 index 000000000..bc3d4d085 --- /dev/null +++ b/sci-chemistry/pymol/pymol-9999-r1.ebuild @@ -0,0 +1,128 @@ +# Copyright 1999-2009 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI="2" + +PYTHON_MODNAME="chempy pmg_tk pymol" +APBS_PATCH="090618" + +inherit distutils subversion flag-o-matic + +ESVN_REPO_URI="https://pymol.svn.sourceforge.net/svnroot/pymol/trunk/pymol" + +DESCRIPTION="A Python-extensible molecular graphics system." +HOMEPAGE="http://pymol.sourceforge.net/" +SRC_URI="apbs? ( http://dev.gentooexperimental.org/~jlec/distfiles/apbs_tools.py.${APBS_PATCH}.bz2 )" + +LICENSE="PSF-2.2" +IUSE="apbs numpy shaders vmd" +SLOT="0" +KEYWORDS="~amd64 ~x86" + +RDEPEND="dev-python/pmw + dev-python/numpy + >=dev-lang/python-2.4[tk] + media-libs/libpng + sys-libs/zlib + virtual/glut + apbs? ( dev-libs/maloc + sci-chemistry/apbs + sci-chemistry/pdb2pqr + )" +DEPEND="${RDEPEND}" + +pkg_setup(){ + python_version +} + +src_unpack() { + use apbs && unpack ${A} + subversion_src_unpack +} + +src_prepare() { + epatch "${FILESDIR}"/${P}-data-path.patch || die + + # Turn off splash screen. Please do make a project contribution + # if you are able though. + [[ -n ${WANT_SPLASH} ]] || epatch "${FILESDIR}"/nosplash-gentoo.patch + + # Respect CFLAGS + sed -i \ + -e "s:\(ext_comp_args=\).*:\1[]:g" \ + "${S}"/setup.py + + use shaders && \ + sed \ + -e '/PYMOL_OPENGL_SHADERS/s:^#::g' \ + -i setup.py + + if use apbs; then + cp -f "${WORKDIR}"/apbs_tools.py.${APBS_PATCH} modules/pmg_tk/startup/apbs_tools.py || die + sed "s:LIBANDPYTHON:$(python_get_libdir):g" \ + -i modules/pmg_tk/startup/apbs_tools.py || die + fi + + use vmd && \ + sed \ + -e 's:\] + 0 \* \[:] + 1 * [:g' \ + -e '/contrib\/uiuc\/plugins/s:^#::g' \ + -e '/PYMOL_VMD_PLUGINS/s:^#::g' \ + -i setup.py + + use numpy && \ + sed \ + -e '/PYMOL_NUMPY/s:^#::g' \ + -i setup.py +} + +src_configure() { + : +} + +src_install() { + distutils_src_install + + # These environment variables should not go in the wrapper script, or else + # it will be impossible to use the PyMOL libraries from Python. + cat >> "${T}"/20pymol <<- EOF + PYMOL_PATH=$(python_get_sitedir)/${PN} + PYMOL_DATA="/usr/share/pymol/data" + PYMOL_SCRIPTS="/usr/share/pymol/scripts" + EOF + + use apbs && \ + echo "APBS_PSIZE=$(python_get_sitedir)/pdb2pqr/src/psize.py" >> "${T}"/20pymol + + doenvd "${T}"/20pymol || die "Failed to install env.d file." + + cat >> "${T}"/pymol <<- EOF + #!/bin/sh + ${python} -O \${PYMOL_PATH}/__init__.py \$* + EOF + + dobin "${T}"/pymol || die "Failed to install wrapper." + + insinto /usr/share/pymol + doins -r test data scripts || die "no shared data" + + insinto /usr/share/pymol/examples + doins -r examples || die "Failed to install docs." + + dodoc DEVELOPERS README || die "Failed to install docs." + + if ! use apbs; then + rm "${D}"$(python_get_sitedir)/pmg_tk/startup/apbs_tools.py + fi +} + +pkg_postinst(){ + distutils_pkg_postinst + + # The apbs ebuild was just corrected and not bumped #213616 + if use apbs; then + [ -e /usr/share/apbs-0.5* ] && \ + ewarn "You need to reemerge sci-chemistry/apbs!" + fi +} |