diff options
Diffstat (limited to 'sci-chemistry/shelx')
| -rw-r--r-- | sci-chemistry/shelx/Manifest | 18 | ||||
| -rw-r--r-- | sci-chemistry/shelx/files/20060317-autotool.patch | 47 | ||||
| -rw-r--r-- | sci-chemistry/shelx/files/20060317-gfortran.patch | 20 | ||||
| -rw-r--r-- | sci-chemistry/shelx/metadata.xml | 5 | ||||
| -rw-r--r-- | sci-chemistry/shelx/shelx-20141228.ebuild | 60 |
5 files changed, 150 insertions, 0 deletions
diff --git a/sci-chemistry/shelx/Manifest b/sci-chemistry/shelx/Manifest new file mode 100644 index 000000000000..47f9ac8dd7ad --- /dev/null +++ b/sci-chemistry/shelx/Manifest @@ -0,0 +1,18 @@ +DIST anode_amd64.bz2 8758937 SHA256 01568fd23b0abe280de7a286b9885182f10f06829f139e46bac75846276f60c7 SHA512 6d9f0e506531e14956a95ed23c4c5ccfabaf79b92feba237923db2731e9f3861163f6039e556a6976d910075558fae120088c4805f09880ff33955eff86cc2e1 WHIRLPOOL af181735822c8d04187f98d06f3be2d563cb3e81571fb81139e384a38b54ca7cc83d10a10564456fffb6eead5ab52833f9002882632634fd5a2f8f450d99ca8c +DIST anode_x86.bz2 4310241 SHA256 520f96803bb0ae7d2e7411187968bb38edadad42f06c22af4f89ee2fd4c95886 SHA512 344e25564d4e0d94764c536625c9be3f4a4b8be74153f17f07254f798e9ebbfe416d069a082906187ba0ec7ab958adf8c7c1ec0afab7a6b146fe02a0b5b88505 WHIRLPOOL 3f349040d1ac9af4323cb091e1b2eb37aff6fe5a1202e65adc9119d1ed141406b5a6792852050061e06253411cb409aebc07c3eb50a26bfa5064ed897ba8da9f +DIST ciftab_amd64.bz2 1409694 SHA256 47c4b4349b2534e5d98d499fb92322bfc0ded5c893a7f6c58c58dbcfb84d1b86 SHA512 7f2439cf5d7afefaf9df0a2e0ab970076ea3f65d1e394aa0a81340e4cae0cbcbd25169a5e490c8269cfdc92fe9d1240d9d0a2949322b48c339f7556173e83428 WHIRLPOOL 68dc54ee8c1f8ab5b84f0857fd1e21afd6e5417c949bcae74e9b76e3e13aeae0318c200f5716f02759a8a9b45089d6810d6bba658f43e7f300a28c7f010c224f +DIST ciftab_x86.bz2 510941 SHA256 d27dd5b21e85f77508f01da71c7f8e2cdadc75169eed362324a697938c02e992 SHA512 185628c888e74e7f7ae69eccb3195d841eab83616449c3358dd3fb49605f6bb9e86e97959cf6d20b424037746b67332ad98b9a41ca2a7fae7e3cbe503bf71127 WHIRLPOOL c121e9350b8bbfcb8cf87c4404e9485b678603943702eebfd07627441c47af95a00d457a49440c8fd65ac8fe625e09e35bd1ce8ead6c12af900dc5fbc56188a7 +DIST shelxc_amd64.bz2 1512555 SHA256 e4da94ecc95a8636b28e50254497a7e519313628106f4fe92869e238f659019f SHA512 11b382c6a8440052ffaf136f5c4695d7f6d10e184334810d0f9b7ff25a782c424ae3509a0bbacabddb152b56e6fdfea7266f9c395d0a39994a8c02bd650625ca WHIRLPOOL f6a7f92278741f19e4a19d4a278588770d50d1d9eac30ba96a285ba10add72613532b1cd5f3ffa28e270e654f252e4cf12939abb1458c70d166569e1dd36fbd4 +DIST shelxc_x86.bz2 614564 SHA256 0e8a4fd16a73f28b77e53225d3d6f1038aae1971dca5910043fa04a5818c6e61 SHA512 5be05948e5b79a44e4ead25deba9b1b08857a4636e4c2f8cdc832f6bb2c2407122adff393035f91ce24b48b025191582b919771052f56ebd7a06aaf66dc82115 WHIRLPOOL 6292394d47017524ecd8d3b809ff87793f718e8e3303e6b221c6b27ae4c7da562cff9945d23dd4112509f34f7c3e83cd4d73728c6ee26ffb7efc7b85a3f19aa0 +DIST shelxd_amd64.bz2 8773698 SHA256 fa7c103c0156ad060e7b66b6f39de8982d660a715a07584d2c1a1853d171d3c0 SHA512 6cb881a937e461edf9c9e7736bfab164e6dc16c4df4291b8dce69b3abf98ce27fadb8079cc5142d2b77eb94ac42c0bb375f3ac21b45f590d535839cc7f8cd762 WHIRLPOOL c4b3b8b7f9d78e15153b4f3678ef8766cdc97cc3c03686b528a40b98d45233612c0104aaa3ec491cd20e787d834965056b10bfa3fc247fc1a4aaee4c0739162d +DIST shelxd_x86.bz2 4406371 SHA256 0b0da50c0907f97e93b46bbd01e63737c007b1b93aa3a79d471621d39557e74f SHA512 68d11983f98984bfaca089b839d38cc9607857d2bb6d2cff306d9efa2f34ea8d741220eb01a99d2ecdd832dde1794b4bb228ceae3fc0e87e3210dfa491e6a402 WHIRLPOOL 6cb3343aa878a5703a65b93f6dd1255ebc668afad92117441a785a91dd39d1736a10411655b08da7ff714bed7ed423e30555b8436c9a7df9f49f8ea3351f651e +DIST shelxe_amd64.bz2 8302570 SHA256 fac87ba983a454cb32f76076318dabbf6ae2f98415cf2428a0154765b3401915 SHA512 cbafde59ba1d9943f74e8c66cc012168f1f8062e978d2f9103adb4d130c9a024e3e8b170af5b5207168f23db4742b4a99ce3b550e897c59e1dfd3631d7d6c6ab WHIRLPOOL 0007c53e4a9bb8e546b625a2565a9e5d01d60b35c8565e34ab753033c16f1c1b61cdfbe2129ff4981cb595cf637f08342b0d77c22ea8836e08df6b671ac6d2e4 +DIST shelxe_x86.bz2 4177233 SHA256 b2bff78b9b51b72e545d23ce76f6b93e016c2cd583aee9d7236b99fd1722d280 SHA512 67d56beef36918ec6b5d86109d2e61a0dc5a34ed73174ba5cdf96e0db8d8d41cdf20bffdee138f6f177e30a9df32aa1494c18221139538e5c778d61d5f558c51 WHIRLPOOL d8e4be4f7b7a313f5586c23a3d5c94dc2b177b36b47025219c5d54985fd41d7ffb902db4d2a1060ae0ce0448d59032782309029096449af76b5df6253db52e81 +DIST shelxl_amd64.bz2 2985452 SHA256 7e7bf32d5dcfa0e8bb0390add8dcc1d0e722012188dd3d124f255ed9e9c13208 SHA512 0c5b5e4bf6041399221a2f321a3e8f3def952a6eb9af26652a8af04c4bedf5cb98aa529c11e84da20c061028701a49af960135ac697ae157609ca8ae8acde219 WHIRLPOOL a5f7a2e118d5582cafa76c1abea86b614e48e1e8ed217e1280b770124eb16f247ef668112031b5a7660af098b51be94b2f53d0fb506dc090e1615ec7204ce712 +DIST shelxl_x86.bz2 1610822 SHA256 b7a28fb6318cb16948c06e7aed8ee7a7c6a5d3a8863c57f657fbbd2007b25955 SHA512 deaeed15676f294088ce07dc3760e2eecca503f87a537e3e9598d1de6102e82f25b2bd46c080e5140a35046847c345845a88adf159197be640ba52b1a790cfec WHIRLPOOL 5998b3909232016e4cfb99a112090e07a926e36442d47e6c7aa09d50d830eeeb21d2732cd962d01672b76b120cca51df400532805e971ee6b2a6c9d13692582d +DIST shelxs_amd64.bz2 1606403 SHA256 9b180574ee2b828123f622d42e307778d8d4a1f4c32d5741ba065ad2b7751e60 SHA512 3d26e8bc10f0004ee52a564be567db0cdf41f7d05d457e66c12e117bb82550066bf7333830f8dcd56ea987de677f365db25a51f4c22efda9c911fda03d49086e WHIRLPOOL 7e02ede8528e752f1a01d3109064914d42d6c83e4d8c0e901e13e9e1345160d087f35568d1f7ff7f61f54fdbf838a6e8b2d8ab9482df27fd561cc7f4dad610d7 +DIST shelxs_x86.bz2 746352 SHA256 3eea6b363f7e2ff90965a01b65f3aa5d4ac5642a1528a7824c3ea8398c272d2b SHA512 9ecf1e8da8df2280a1982c210dea5418004492047fdd3ab004eade39d247199f3c757d00a56d179eadc7a1ce434c8019c39af865b641ae3c370a8461a950140c WHIRLPOOL 5120481aefcaa3871e61dc2f9230095506386de83741e3e5fc7cdf29f2835509ae369276b55252b981907a76b59f3829e0c4ab1738605e5c6f72ff58401157d2 +DIST shelxt_amd64.bz2 8862210 SHA256 519c695b8f6c0425f2635dc021be8138ef029761a43d64133a5d736cccc031b8 SHA512 49cb7b5e9f3a1cab153dd04ce4ab424f3331790df2e4acf0584263edcd28e20f6225a6f48161469e1569ae0d6eeed5389db0c9a66d7853ea34b798364a346e27 WHIRLPOOL 11a821502863cddedb14377f8881b7a7931970f8ce9da668106a5dee6e7113fa6f41f69c9381e7ea4c93aa21a6c3498ba4c836df9289db7295c54e6267faa92c +DIST shelxt_x86.bz2 4441488 SHA256 ca64d86718d306d8d5269f0d7ca92fc2921f1a199afa1bc181b5f6cc339a012c SHA512 83027d24d58863030a284e5e573df27db760ce61f7c8d7da5741471bd814256ae5ade1316aa3e262a54c4c4fb6ad231dacfcef043c3279d381d2969e0b73dd14 WHIRLPOOL ec91f0e6d192507854cbcc2baa751c17185df70f2220eab8f487a1db082bc055aefe2b5f437e144fbbf60c01f1d735057c07ff2f71ab77c88c13a1a19ffe7a65 +DIST shredcif_amd64.bz2 1371002 SHA256 eddf6237b70114bab99845c228d5ba6240a2a9e019bf59678f2222e2ddc52cfe SHA512 5846f7a14936ae4c710ead752a83dd8d73bbcd6037c38f2c566156f87678a84c1db3fd5d0a6e3c6dfb04a2ed7c96c8497c36faaf2bf2ca99ace74f98152ba3be WHIRLPOOL 11b82847cd4f3529c7708de7d0ae7da4e741a58da58ac01954e7136ca2f02c599a81485c70ff36916cdce97e86ab67efe61ec544231db9d7ad903edfd68e232b +DIST shredcif_x86.bz2 461442 SHA256 aa06e0b3f2b7face7f486029d4c83e9fd591c46b2a41db6ce8e3014f6a713d78 SHA512 8097b6285d3e9269989663e52a4d903b279f9cdd0a5650c91d605dd324c62361de619c0873968a3178d3c125f59a9b448465a09542e2582779fbb8cca1f9ebf7 WHIRLPOOL 37f9410d1fcf2881b3e83b752d5170859ebab2063da8124715d5f627a83b9ef2ba4694a2a77a213e8c1b92d474304a7aea83b1f03111fd2abbb3fcd13d054052 diff --git a/sci-chemistry/shelx/files/20060317-autotool.patch b/sci-chemistry/shelx/files/20060317-autotool.patch new file mode 100644 index 000000000000..b90fb0a921c1 --- /dev/null +++ b/sci-chemistry/shelx/files/20060317-autotool.patch @@ -0,0 +1,47 @@ +diff -urN unix.orig/configure.ac unix/configure.ac +--- unix.orig/configure.ac 1969-12-31 16:00:00.000000000 -0800 ++++ unix/configure.ac 2006-06-04 22:31:49.000000000 -0700 +@@ -0,0 +1,12 @@ ++# -*- Autoconf -*- ++# Process this file with autoconf to produce a configure script. ++ ++AC_PREREQ(2.59) ++AC_INIT(shelx, 20060317, https://bugs.gentoo.org/) ++AC_CONFIG_SRCDIR([ciftab.f]) ++AM_INIT_AUTOMAKE([foreign]) ++ ++# Checks for programs. ++AC_PROG_FC ++AC_PROG_F77 ++AC_OUTPUT([Makefile]) +diff -urN unix.orig/Makefile.am unix/Makefile.am +--- unix.orig/Makefile.am 1969-12-31 16:00:00.000000000 -0800 ++++ unix/Makefile.am 2006-06-04 23:06:39.000000000 -0700 +@@ -0,0 +1,27 @@ ++bin_PROGRAMS = \ ++ ciftab \ ++ shelxa \ ++ shelxc \ ++ shelxd \ ++ shelxe \ ++ shelxh \ ++ shelxl \ ++ shelxpro \ ++ shelxs \ ++ shelxwat ++ ++dist_pkgdata_DATA = \ ++ ciftab.def \ ++ ciftab.rta \ ++ ciftab.rtm ++ ++ciftab_SOURCES = ciftab.f ++shelxa_SOURCES = shelxa.f ++shelxc_SOURCES = shelxc.f ++shelxd_SOURCES = shelxd.f ++shelxe_SOURCES = shelxe.f ++shelxh_SOURCES = shelxh.f shelxlv.f ++shelxl_SOURCES = shelxl.f shelxlv.f ++shelxpro_SOURCES = shelxpro.f ++shelxs_SOURCES = shelxs.f shelxsv.f ++shelxwat_SOURCES = shelxwat.f diff --git a/sci-chemistry/shelx/files/20060317-gfortran.patch b/sci-chemistry/shelx/files/20060317-gfortran.patch new file mode 100644 index 000000000000..d414a8e45c31 --- /dev/null +++ b/sci-chemistry/shelx/files/20060317-gfortran.patch @@ -0,0 +1,20 @@ +--- unix.orig/ciftab.f 2006-10-12 11:44:46.000000000 -0700 ++++ unix/ciftab.f 2006-10-12 11:38:22.000000000 -0700 +@@ -377,7 +377,7 @@ + C systems. It enables a 'read-only' file to be opened for reading. + C + OPEN(LR,FILE=CIFDIR(1:K)//'ciftab.'//IS(1:L),STATUS='OLD', +- +READONLY,ERR=5) ++ +ERR=5) + GOTO 6 + 4 WRITE(*,'(/A)')' ** Cannot open file **' + GOTO 108 +@@ -1332,7 +1332,7 @@ + 6 FORMAT(3X,4('h k l Fo Fc s',5X),'h k l Fo Fc s', + +A1/A1) + 7 FORMAT(4(I4,2I3,2I5,I4,2X),I4,2I3,2I5,I4) +- 8 FORMAT($,1X,A) ++ 8 FORMAT(1X,A,$) + C + WRITE(LO,1)' '//ESC//AMP//'l0o5c1x'//ESC//'(0u'// + +ESC//'(s0p16.66h8.5v0s0b0T'//CR diff --git a/sci-chemistry/shelx/metadata.xml b/sci-chemistry/shelx/metadata.xml new file mode 100644 index 000000000000..51fdedab1b38 --- /dev/null +++ b/sci-chemistry/shelx/metadata.xml @@ -0,0 +1,5 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> + <herd>sci-chemistry</herd> +</pkgmetadata> diff --git a/sci-chemistry/shelx/shelx-20141228.ebuild b/sci-chemistry/shelx/shelx-20141228.ebuild new file mode 100644 index 000000000000..dfd2eac4f5f3 --- /dev/null +++ b/sci-chemistry/shelx/shelx-20141228.ebuild @@ -0,0 +1,60 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +DESCRIPTION="Programs for crystal structure determination from single-crystal diffraction data" +HOMEPAGE="http://shelx.uni-ac.gwdg.de/SHELX/" +SRC_URI=" + amd64? ( + anode_amd64.bz2 + ciftab_amd64.bz2 + shelxc_amd64.bz2 + shelxd_amd64.bz2 + shelxe_amd64.bz2 + shelxl_amd64.bz2 + shelxs_amd64.bz2 + shelxt_amd64.bz2 + shredcif_amd64.bz2 + ) + x86? ( + anode_x86.bz2 + ciftab_x86.bz2 + shelxc_x86.bz2 + shelxd_x86.bz2 + shelxe_x86.bz2 + shelxl_x86.bz2 + shelxs_x86.bz2 + shelxt_x86.bz2 + shredcif_x86.bz2 + ) +" + +SLOT="0" +LICENSE="free-noncomm" +KEYWORDS="amd64 ppc x86 ~amd64-linux ~x86-linux" +IUSE="" + +S="${WORKDIR}" + +RESTRICT="fetch" + +QA_PREBUILT="opt/bin/*" + +pkg_nofetch() { + elog "Go to ${HOMEPAGE}" + elog "Fill out the application form, and send it in." + elog "Download ${A} and rename them to" + use amd64 && elog "*_amd64.bz2" + use x86 && elog "*_x86.bz2" + elog "and place renamed tarballs in ${DISTDIR}." +} + +src_install() { + local i + into /opt + for i in *; do + newbin ${i} ${i/_*/} + done +} |