refmac test improved

4 files changed, 103 insertions, 1 deletions

diff --git a/sci-chemistry/refmac/ChangeLog b/sci-chemistry/refmac/ChangeLog
index 91c6f6f91..85355b61d 100644
--- a/sci-chemistry/refmac/ChangeLog
+++ b/sci-chemistry/refmac/ChangeLog
@@ -2,6 +2,12 @@
 # Copyright 1999-2009 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+*refmac-5.5.0100-r1 (29 Jun 2009)
+
+  29 Jun 2009; Justin Lecher (jlec) <jlec@j-schmitz.net>
+  +refmac-5.5.0100-r1.ebuild, +files/test.log.patch:
+  EAPI=2 and adv test
+
 *refmac-5.5.0100 (29 Jun 2009)
 
   29 Jun 2009; Justin Lecher (jlec) <jlec@j-schmitz.net>
diff --git a/sci-chemistry/refmac/Manifest b/sci-chemistry/refmac/Manifest
index 83172e5a4..bb2748e6c 100644
--- a/sci-chemistry/refmac/Manifest
+++ b/sci-chemistry/refmac/Manifest
@@ -4,6 +4,7 @@ AUX 5.5.0095-allow-dynamic-linking.patch 2025 RMD160 b4324061b5468aedce6d37fc170
 AUX 5.5.0097-allow-dynamic-linking.patch 2025 RMD160 b4324061b5468aedce6d37fc17049711231e677d SHA1 d04e47048302bd7df59d470a9657289871f42721 SHA256 410ffe2a7dee8dd30376355298319f7cc413fa2ff0765a1f77f02cb975e4a23a
 AUX 5.6-allow-dynamic-linking.patch 1178 RMD160 8222b326a7f2d80d1d6202f8761c9bd4bb3ac797 SHA1 07484f5c65e35823963a712ac378bc64dafc0e5d SHA256 24e40c994ce76668e62e2374e41ece1d89fb4c59ab185d3c6eb9c3e76d4610fb
 AUX 5.6.0033-allow-dynamic-linking.patch 1178 RMD160 8222b326a7f2d80d1d6202f8761c9bd4bb3ac797 SHA1 07484f5c65e35823963a712ac378bc64dafc0e5d SHA256 24e40c994ce76668e62e2374e41ece1d89fb4c59ab185d3c6eb9c3e76d4610fb
+AUX test.log.patch 1146 RMD160 0ea6293e8ecde3b9ae12658a523e3c30a5c9f01b SHA1 d026fdea6a487754f7e48ec24bcf4851a613b6d1 SHA256 d2c2a09f44e525dc255bc2ac93ca4194b24ca1fe58c31f0e3b5c32e439dfe2e7
 AUX twin.inp 91 RMD160 0848ddf8ebdb6e0dd327f9d01d89f86007ac1859 SHA1 bdef4076010499cae0d0c886138e2230b835481a SHA256 172706f6ef1b7a85636a176d18e73611406f29ca8d84f1d82a6120daa8f956e6
 DIST refmac5.6_source_v5.6.0041.tar.gz 1487802 RMD160 575b0152c2c8c941f46acd8bf30ebf2ce7bf1f23 SHA1 6e1b68159597167b5167966ebf80a68064bcb90b SHA256 e8074bb2e86d9b9af698939acce6d81ea5a2ae7bb895585574e4b77787d39e8e
 DIST refmac_5.5.0092.tar.gz 1296668 RMD160 1f48cb3d2cfc3b7e91bcde5caa212813d63b20be SHA1 35497b7986ad4861518077f5e06937851cbeb4ff SHA256 6aabf0af882605a2dc73b29f42e8dee34be0888f667befb7342576b2df84623d
@@ -20,7 +21,8 @@ EBUILD refmac-5.5.0098-r1.ebuild 1373 RMD160 970562c9a2caf4f7fe789dd4fcf26baaeda
 EBUILD refmac-5.5.0098.ebuild 1080 RMD160 7829b2a9db340fcf141d450bb5ac7c69669374b4 SHA1 978647cca646c89d5f4b6c863464265b34534fc0 SHA256 8c45013ac7949cc2f3f3ed949abecc3cdaf06629b01d5b4da30ba375899451de
 EBUILD refmac-5.5.0099-r1.ebuild 1400 RMD160 14e0c50c2b37fc7d64e48123f3738a102c39bbe6 SHA1 2dfd3c824dedc83465673e0eb6ea92b113fe3e3a SHA256 b9d841e329979a968864774d0f481893c36f5c46807935c3f73818f0c89b6da5
 EBUILD refmac-5.5.0099.ebuild 1080 RMD160 7829b2a9db340fcf141d450bb5ac7c69669374b4 SHA1 978647cca646c89d5f4b6c863464265b34534fc0 SHA256 8c45013ac7949cc2f3f3ed949abecc3cdaf06629b01d5b4da30ba375899451de
+EBUILD refmac-5.5.0100-r1.ebuild 1464 RMD160 05d70ff4112a6609dbe2f78ab8fdd501479feffd SHA1 2f11fb1f97564712fc183b4075001b9223a6256c SHA256 c4314291c17715ffcb27d405e49971508fa5b12b34ce932b5f90b07e6b02ea86
 EBUILD refmac-5.5.0100.ebuild 1400 RMD160 14e0c50c2b37fc7d64e48123f3738a102c39bbe6 SHA1 2dfd3c824dedc83465673e0eb6ea92b113fe3e3a SHA256 b9d841e329979a968864774d0f481893c36f5c46807935c3f73818f0c89b6da5
 EBUILD refmac-5.6.0041.ebuild 1550 RMD160 ff952f4817594c90ae3df23a7c7ca1f5f180a32f SHA1 5e1e60b01e2399e1de3989b135dca722258d251d SHA256 10913143ddeeaff69d3cdc11b602a7ecb95ca77ef231b23152f501bf6dd72ade
-MISC ChangeLog 6411 RMD160 5fe84a683337001b0a18d5efccebba7f5aea5a99 SHA1 57975307700194805be9ce30de01a075462f285e SHA256 7819991ab06b63957bfac1374e8c6b87668f816388f5bd6d41973a9e89220595
+MISC ChangeLog 6579 RMD160 0b58ec75f474accf92ab9ecb77d84c445d43acbe SHA1 bdcc80fdd0dd73278eeb8d6fba4704aa39205d4d SHA256 3fef8898e9c53197f4aa3935c05bd7ca0e11c8eb00becfcac19e47570a22b05b
 MISC metadata.xml 314 RMD160 d8922635160b6047732051715291e8553b513bba SHA1 b53fc6fb6cf908093794b876e729606c00351937 SHA256 50a519ddbcef4ad4f76175df36849a076d20adbb6340fdba292175b70c0d9719
diff --git a/sci-chemistry/refmac/files/test.log.patch b/sci-chemistry/refmac/files/test.log.patch
new file mode 100644
index 000000000..61858be35
--- /dev/null
+++ b/sci-chemistry/refmac/files/test.log.patch
@@ -0,0 +1,32 @@
+--- test-framework/refmac5/test_refmac5.py	2009-06-29 15:45:37.000000000 +0200
++++ test-framework/refmac5/test_refmac5.py.new	2009-06-29 15:48:05.000000000 +0200
+@@ -88,7 +88,8 @@
+              'make hydr no',
+              'labin IP=IMEAN SIGIP=SIGIMEAN FREE=FreeR_flag',
+              'labout FC=FC PHIC=PHIC'],
+-            working_directory = self.test_dir)
++            working_directory = self.test_dir,
++            log_file = 'test_twinned_refinement.log')
+ 
+         self.assertEqual(status, 0)
+ 
+@@ -123,7 +124,8 @@
+              'weight auto',
+              'ncyc 20',
+              'labout FC=FC PHIC=PHIC'],
+-            working_directory = self.test_dir)
++            working_directory = self.test_dir,
++            log_file = 'test_4_domain_tls.log')
+ 
+         self.assertEqual(status, 0)
+ 
+@@ -156,7 +158,8 @@
+              'anomalous form SE -9.9 3.9',
+              'anomalous wavelength 0.97966',
+              'labout FC=FC PHIC=PHIC'],
+-            working_directory = self.test_dir)
++            working_directory = self.test_dir,
++            log_file = 'test_sad_refinement.log')
+ 
+         self.assertEqual(status, 0)
+ 
diff --git a/sci-chemistry/refmac/refmac-5.5.0100-r1.ebuild b/sci-chemistry/refmac/refmac-5.5.0100-r1.ebuild
new file mode 100644
index 000000000..db096c2f2
--- /dev/null
+++ b/sci-chemistry/refmac/refmac-5.5.0100-r1.ebuild
@@ -0,0 +1,62 @@
+# Copyright 1999-2009 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI="2"
+
+inherit fortran base toolchain-funcs versionator
+
+DESCRIPTION="Macromolecular crystallographic refinement program"
+HOMEPAGE="http://www.ysbl.york.ac.uk/~garib/refmac/"
+SRC_URI="${HOMEPAGE}data/refmac_stable/refmac_${PV}.tar.gz
+	test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )"
+
+SLOT="0"
+LICENSE="ccp4"
+KEYWORDS="~amd64 ~x86"
+IUSE="test"
+RESTRICT="mirror"
+
+RDEPEND="virtual/lapack
+	virtual/blas
+	sci-libs/ccp4-libs"
+DEPEND="${RDEPEND}"
+
+S="${WORKDIR}"
+
+PATCHES=(
+	"${FILESDIR}"/$(get_version_component_range 1-2 ${PV})-allow-dynamic-linking.patch
+	"${FILESDIR}"/test.log.patch
+	)
+
+src_compile() {
+	emake \
+		FC=$(tc-getFC) \
+		CC=$(tc-getCC) \
+		CXX=$(tc-getCXX) \
+		COPTIM="${CFLAGS}" \
+		FOPTIM="${FFLAGS:- -O2}" \
+		VERSION="" \
+		XFFLAGS="-fno-second-underscore" \
+		LLIBCCP="-lccp4f -lccp4c -lccif -lmmdb -lstdc++" \
+		LLIBLAPACK="-llapack -lblas" \
+		|| die
+}
+
+src_test() {
+	einfo "Staring tests ..."
+	export PATH="${S}:${PATH}"
+	export CCP4_TEST="${WORKDIR}"/test-framework
+	export CCP4_SCR="${T}"
+	cd ${CCP4_TEST}
+	sed 's:refmac5:refmac:g' -i refmac5/test_refmac5.py
+	python refmac5/test_refmac5.py || die "damn"
+}
+
+src_install() {
+	for i in refmac libcheck makecif; do
+		dobin ${i} || die
+	done
+	dosym refmac /usr/bin/refmac5 || die
+	dodoc refmac_keywords.pdf bugs_and_features.pdf || die
+}