diff options
| author | V3n3RiX <venerix@redcorelinux.org> | 2017-10-09 18:53:29 +0100 |
|---|---|---|
| committer | V3n3RiX <venerix@redcorelinux.org> | 2017-10-09 18:53:29 +0100 |
| commit | 4f2d7949f03e1c198bc888f2d05f421d35c57e21 (patch) | |
| tree | ba5f07bf3f9d22d82e54a462313f5d244036c768 /sci-chemistry/msms-bin | |
reinit the tree, so we can have metadata
Diffstat (limited to 'sci-chemistry/msms-bin')
| -rw-r--r-- | sci-chemistry/msms-bin/Manifest | 6 | ||||
| -rw-r--r-- | sci-chemistry/msms-bin/metadata.xml | 11 | ||||
| -rw-r--r-- | sci-chemistry/msms-bin/msms-bin-2.6.1-r1.ebuild | 44 |
3 files changed, 61 insertions, 0 deletions
diff --git a/sci-chemistry/msms-bin/Manifest b/sci-chemistry/msms-bin/Manifest new file mode 100644 index 000000000000..952587810d5d --- /dev/null +++ b/sci-chemistry/msms-bin/Manifest @@ -0,0 +1,6 @@ +DIST msms_i86Linux2_2.6.1.tar.gz 112762 SHA256 ab4f9e60df6fe18a5ac05550bf074b287792638a818a047697ead049d8737caf SHA512 814a5b5fa760b57c773f6900d42cacc5b68a2bf16d8792aa63cfa779aeabdab4e05064b86de6fb2551194543db925d83e07cf4ef74be8c08935ef5ecc8dcfe73 WHIRLPOOL dab6bfd4e8dca59939cd9d0fd6638a3304314dec023b684a09a34eb9bf90fcdc348091af4ea0676a4bf246e30b685a97e1750e0ccfbfccc8e9a90c1cf8445994 +DIST msms_i86_64Linux2_2.6.1.tar.gz 593147 SHA256 5f0ca50360b5938e74c538e0399d582abc4a40ef4cf410e66f31a1f91e6e3e1f SHA512 630da1ae57b2d8d072247b650636a71e5ef6f07a245c8c4d07b26e20618d9c5dbaffcff563d0504b9b899ca263ba5f3458447f0e649bbfb895aea34305c1c8f8 WHIRLPOOL dff76b55ff1cd53770a4b0fc91d9c7c4f2ae7422008f1081a630965858718bd5cbb2b8e5167809f5957123fb55909e0042c9ca469596eecea7c44cb1c587f085 +EBUILD msms-bin-2.6.1-r1.ebuild 1063 SHA256 da70b208116b7cccec4fdcda0e82e5df95584e138c6f21694f80c971d229fffa SHA512 e0041ed3ffab683b8be0456cfa216124d04447c9a5640e3637bfb1443bf8cebaea196c95b97bb01bd32ec22dd2c9e951564149a25fc74aa45e079a59e86abbce WHIRLPOOL 0947186e713d9b75a40680a140fd60529b1d399a31992b1d213adf92de8256cd696be6ed7e7c5eb690255c025df978968d3c11ed19bd6bd0b587c340425bb14b +MISC ChangeLog 2441 SHA256 ae4d009a3bd7b7041e6c65c32d1e94f7341bfeef4299d498b536ada6a3fc6d25 SHA512 2075e1080db41f5d937a7aef170e71f69f294015e4ed8607ff905c5a765e78e96ef84b468624869d294c667f4661d394c1a6a8fc5033e77aa854910d90f03452 WHIRLPOOL e998e5860a28bb889ed6c7e6e99db3480c94e6972a4055ac9796afad008db5624b1d10170393bd605d080264b85a7eb991ddce8b44374dd531c73c6cb3094638 +MISC ChangeLog-2015 1428 SHA256 e1aec089408724fa6878b8783f7715330870266e1219e957a6360ff3cb520737 SHA512 24e642558412281b97d5d60eac775d243c54216ef9fcac70b1d18a04fe4ed032d73291395361bd2c9f22cc8e17e6e440e98045e0bc143c4d379c968e713d02b8 WHIRLPOOL 8f6a43811becc33a944daf63c8148ff8402fa9f84d99dce2bcd67761c3d9981039dc5cd805849ea6aef68174afb7d9d852a0be127670dd9668a41ed0faa0c6a8 +MISC metadata.xml 342 SHA256 6e74575656406b91602694e2d9ae391bbdcfe25efd3ac8a16bcf0e1a454199ba SHA512 2dbd8b2bdf37d4a2d4127cb373db2c6ff8fc4de6bf294e4518f1d424115860c0b083d538935a8b1a54543b396b968985e46a7ca293367ee1a0b462d11639b7ab WHIRLPOOL 9feb232502b198a4a6c820aaf6a54af0daee5d32be0ad3afa030a9a9109579012fa6784f12feb7c2286171f240735f204e121f21a54c7b59d3985e41a43f8f9f diff --git a/sci-chemistry/msms-bin/metadata.xml b/sci-chemistry/msms-bin/metadata.xml new file mode 100644 index 000000000000..ba21fec241dd --- /dev/null +++ b/sci-chemistry/msms-bin/metadata.xml @@ -0,0 +1,11 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> + <maintainer type="person"> + <email>alexxy@gentoo.org</email> + </maintainer> +<maintainer type="project"> + <email>sci-chemistry@gentoo.org</email> + <name>Gentoo Chemistry Project</name> + </maintainer> +</pkgmetadata> diff --git a/sci-chemistry/msms-bin/msms-bin-2.6.1-r1.ebuild b/sci-chemistry/msms-bin/msms-bin-2.6.1-r1.ebuild new file mode 100644 index 000000000000..75e928623167 --- /dev/null +++ b/sci-chemistry/msms-bin/msms-bin-2.6.1-r1.ebuild @@ -0,0 +1,44 @@ +# Copyright 1999-2012 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 + +EAPI=4 + +DESCRIPTION="MSMS allows to compute very efficiently triangulations of Solvent Excluded Surfaces" +HOMEPAGE="http://mgl.scripps.edu/people/sanner/html/msms_home.html" +SRC_URI=" + amd64? ( msms_i86_64Linux2_2.6.1.tar.gz ) + x86? ( msms_i86Linux2_2.6.1.tar.gz ) +" + +LICENSE="MSMS" +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="" + +RESTRICT="fetch" + +S="${WORKDIR}" + +QA_PREBUILT="${EROOT#/}opt/bin/.*" + +pkg_nofetch() { + einfo "Please download ${A} from http://mgltools.scripps.edu/downloads#msms and place it to ${DISTDIR}" +} + +src_install() { + doman msms.1 + dodoc README msms.html ReleaseNotes + exeinto /opt/bin + if use amd64; then + newexe ${PN%-bin}.x86_64Linux2.${PV} msms + elif use x86; then + newexe ${PN%-bin}.i86Linux2.${PV} msms + fi + insinto /usr/share/${PN}/ + doins atmtypenumbers + sed \ + -e 's:nawk:awk:g' \ + -e "s:./atmtypenumbers:${EPREFIX}/usr/share/${PN}/atmtypenumbers:g" \ + -i pdb_to_xyz* || die + dobin pdb_to_xyz* +} |