sci-chemistry/nwchem: removed unmaintained package with broken distfiles

Package-Manager: Portage-3.0.8, Repoman-3.0.1
Signed-off-by: Horea Christian <chr@chymera.eu>

13 files changed, 0 insertions, 954 deletions

diff --git a/sci-chemistry/nwchem/Manifest b/sci-chemistry/nwchem/Manifest
deleted file mode 100644
index d1057d43d..000000000
--- a/sci-chemistry/nwchem/Manifest
+++ /dev/null
@@ -1,31 +0,0 @@
-DIST Bcast_ccsd.patch.gz 591 BLAKE2B 7ecd6cadb17e42316b01ebca1bc03f3182ccce2455685333d792e9e63eaa8a4d2ebe3eaced3009428d7dd90ee90dae97bf63ecf7b86551332a4d79e3ade2f0e8 SHA512 04e08e5fee5e2b3c3d89553ad36998e180e79a59f692b1cb6848df561319c92747a307596164e86fb5b244f61df432b2b5c3170e26bc25bccdf426ba268a39d3
-DIST Config_libs66.patch.gz 682 BLAKE2B e49dc7e14265b754aa9947dfcf3438778b0cdd8d11ef81e2ec059b242f9806d5b2a5462434b058b0f6f53c26d846f3e10305bee436863e94d5d1d309fece0e45 SHA512 50924c169e3086a419840e7593dc3126297854fac14f8e5ca9c3c47d9478bbd66d79c1e5f9f114cbe6f2a81d0197cbbf1b4085f59ac399fe076e7b96066a1946
-DIST Cosmo_dftprint.patch.gz 424 BLAKE2B b54dc16462d06a1f70a0696e3f2276dcee3c6b6763070c49a8b8824a681c66197c824e388d3c7357187295b38a4f2f80c3fe14a96eb18fe99a5794dc41283159 SHA512 f0930c0130bd779f7704ce8b59c1af01062ffede00102b880d1ade534fdd4867e194f5d4a9a9834f557b5708504ddceec5f3320c4ebfb5af47989261dd523920
-DIST Cosmo_meminit.patch.gz 1659 BLAKE2B 2490c41baa64ea2406f165ae5ab1f878ac47c1d80bc595175aef2d437fb8652bb025a6581ef009402665dde4eff210112a49c16a2cab05a98999205a16255d89 SHA512 51a7fba5a8bc3d70254bdb3d8f3ed2c538b680c3074813906cb3d068c42e7972151f9ca24ffbefc44a8b8f8478cd085feea080c6c8dae9358d62d1823b398ccd
-DIST Dmapp_inc.patch.gz 234 BLAKE2B 632834c55226e7e03461ffaf4bdac461e69a1b81c509d823297f2196a1574c4c6f4a2a4009bf49244f6c23652af7049528b3c7874ca562abc09f668f52dd3b96 SHA512 ac4ea8a65316a172ec29fa8f98d03a999fae5a18aff883f20b1fb26b13867e852097d4cf5d43fa730d9ed27b81ab2ff88c92365d9429f9e67bba720603282ccc
-DIST Dplot_tolrho.patch.gz 572 BLAKE2B e4df8482782abf8ad294d92ff09796ff69efd7d94793233740346996cf86876dce8e748801e2b57822e55afba8523941b64efce1cc0d63688324ad5d17a7c0cb SHA512 331754cf765e21a0236497b2a346215b7d1c985896653de70afc2e6ec8e3cec9ca2795baf3ee29d661686501eb1710944cd48966f3f5be9cf71f01d7838a1873
-DIST Driver_smalleig.patch.gz 255 BLAKE2B 1697ae4e690773f0c8cf78ee904cf4121f33cae8bf1a75309bdbe648868af42a4d1fd8e9234c0259684ec186812f100054c41e50b2593fe5cb915683ee9d4bf1 SHA512 ae9b80e3c962404f5e41b6fd151c7b0b5758a34795be06590b5105c1ac959ee0a01c5aed9f1c6bb01765a8ecc9e5f6e24a0b80f6d80bd0612521d6dcfce4b87d
-DIST Elpa_syncs.patch.gz 554 BLAKE2B afc5d784b89a46fce7ff5fe88608dc8089355574c580591b8620c432ef27a688f1c58d37d0b6557b8194b3b7834ea6f2bc68b424f2d2fd683ba35e75ce2f356d SHA512 c6b6a11dbd40ec4ccd8e230cfd33f2667122c05572deb693ee5c516f0a7dfdefcca0bae8aef518b9cd88ce0a1aec413d3518cf29d14c0f91afdd3024ef9fd506
-DIST Ga_argv.patch.gz 244 BLAKE2B e0d66eb41baf31770dd1a06017e993b1b01901186f094512f873c7b1dcbb9f75b3f3e611202e92a909756ca81cd92f6a853c689445d0db73d5fb6688a98ff644 SHA512 63acab29c96fe2063c452d97a86bedfa9abf1b62bcb99303b13c24d40301af5f5f7427e38c8dd25e0c8225665c0412c36aa99890d5dc902e81bc65ea8b0e79e3
-DIST Ga_defs.patch.gz 321 BLAKE2B 4df879035c1724a25df8e6aba44ad01281fd1a1863cca0bde360394b7c197d4075a5a9bd008b44795d9094e6f082e64346238853f6c6cc7d42b824ccd9fd16b9 SHA512 fb71dd6544659f8ee8d6a26efc33e335da2522759dbc380ab044ec1e827315ae1e93ad57c0cee502bb7d74584e4ca2b9d97bffcf65e3554ddc82dda42518cd44
-DIST Hbar.patch.gz 458 BLAKE2B ab178c392d671c6e335f9dbdb3f4a511e43115cdcd920259d668b9147f7273648d3da45b7cccb35fabb6c973b2af10a81461cbe8291b5314c0c005fdba7e6a13 SHA512 595d5250dd3d462e9d2e0b385a3b41ac828da0792e19606b0365f27b47c839e81ff16cdae590f91f48fa0ac52a4dfcee1c4929bd9054651ee27f9e7c3bf54dbc
-DIST Hnd_giaxyz_noinline.patch.gz 368 BLAKE2B eb4468b68936b49377ddd437b117f94c24ea31e57a9785bbbb76b5a21a9683746a8e41d9e6801df21d2b25fc17b7d07cf59fdf4af2441f9c189f2d014003e188 SHA512 a798412821e35fb3be28ff2df59ce578506635532b08f0f247bae39c85f1c0c912e5205f201f94407d9e3360e66bfb98119596bacc693165fc2b6924800c283c
-DIST Hnd_rys.patch.gz 1585 BLAKE2B 025c5e5f671286737e66381e7c778434b2913c30133b5ba66579eab6e8bcbe072d69372f14875b757ac5bc158f20d7461d28ff143dbfc0faf515ac32ad105aed SHA512 5e95ec72e1b1e17b324d43f3cc68003b5724295e3cad03a9ab8c58636d43ad62ab1cc42e90a5f386854bfeb02b8327ee0f6632c5bd532320e3f34080628b8d84
-DIST Ifort15_fpp_offload.patch.gz 1326 BLAKE2B 6e78f864fd8893559a66782277d04dcf1d88d25850f484946b1f1c8d9ca99c1e700fe58dd4ffb21e799fb6dd9675ad20f685fe32431f6e26e417aa24b3dc99f0 SHA512 fd5559b334fd14006ef984157e22c7fb5297cad7bb29d5696dfe6eb458ba6822b3c2972b8e83e87375091dac4dc18863dd4a817e8b1a64f720de6af99d34aa19
-DIST Makefile_gcc4x.patch.gz 1493 BLAKE2B 0fa596d5bedfcabe133ce2764ebf0ece6ae556eda96e19d11a4b6db58ffaf515133408440e39d3fffbeccff26de97b5d8d7996720b32d1c8c236ff3a1041d39c SHA512 35d46f78da48519ccf21b8853bfc32b958419a600ef7897135f52bc8f7dcfe733883f6600cfd88e75a8c68c3fe9fb0f6302493889df7fbc84f1dd7be29929136
-DIST Nwchem-6.3.revision2-src.2013-10-17.tar.gz 112262489 BLAKE2B ed5ee2c3be8743911f51026a90c34ba0ceb51c283e4666ac032fc506f9363d84d97d41418be857acba40ee1f380f97eda16bcada35899a890d73e1f491b3543f SHA512 28b812b62bba464e6a9c76ccae17145b42ab92c460cc4372bfb6e5d48db0b618d06e778bd2f4787ffcb2d95e60e869af60739181b2f334430592764b41e5f988
-DIST Nwchem-6.5.revision26243-src.2014-09-10.tar.gz 131069464 BLAKE2B 4c5e56841a5734fef847778b9685f5db8a5c12d8fc73b48d8ae4dcdbe7a7526de03d0fe96ebbf5357fc2944e7660acd153f4e66e0e5e4fe08e61847204ae9dc0 SHA512 d4e22819bc40b3bda915dd64c68434f162ad1abccf854a480feb083858a6c8c6b9ef3347e1c5c247149347ecbb2c6dc8d4e70127b90e3b18c08d2cbf16c90843
-DIST Nwchem-6.6.revision27746-src.2015-10-20.tar.bz2 98351363 BLAKE2B b09173f4afa06ecdd264a7aeeb07c5584293fe616c460d72c31b38971a312a539f55e364e7893591fd2f52e3c7476e3e99905cc145d2ed4a85e0ef95438217e0 SHA512 4159cd8bcde1a703ecf221df2e0778dab4cd2239260b648d44ad7d245b8ff0b0042ec2b542892ac2b5d6a2ef86aab40f72a2db2b82d1a88a77d9872b0a42be1d
-DIST Parallelmpi.patch.gz 216 BLAKE2B ada3436a92c63265b243f242f63bf68bece29ff37b9cba9bc1bda0d67673f1b626b17244459df7656323d4b6b7c5c8acd369e3c8f12c318656fe086893da8987 SHA512 21d9020f77814056d3690dca71783e635a4eb951785cf12addc1ff4082b582c82399eb3c3f4f01892d5249fc30a8de1a9a18c1bf37841957bfc924d579f8f7ea
-DIST Print1e.patch.gz 463 BLAKE2B ae71f6980e6384bfbc075ae600a30a2a8d92c75ef024876a04efa08d7399501e4988e1bb6525014378e072bc2144afa0b2f3d7998befef34d9d824d7104de08a SHA512 c53105fb01bb307f7483e55adcd920a4c538cb8634af2c3fa0a13ae1899060603d67fc19392c53ae7499bef48434d667ce690ce66a50dd084bc0583fbe1d95d9
-DIST Raman_displ.patch.gz 3024 BLAKE2B fbff471bc6e068259981f026ee84db4f770a55b66c61420c9c9311be096faf386168d4aa44a299ce39085e5bb409b46e87b38d5a1f1979e39e376d6b7a861ec2 SHA512 8804e2ca36a6e9724ed37bc8a3c71687ce8c560e9afeba89e6c3a51ef7818d0b5481aeb43d918dab9da9dbfb1318a86a6321980be33d2d08758f08abd1ef5e15
-DIST Sym_abelian.patch.gz 281 BLAKE2B c5b6620d1ffe36f46e0716d138abd261b38d98ec506593430f00242fde454c2fc6386a4bb470ac370b64cdb2c0933afa2cd30dfc75a4f752fd8025adfefd9e21 SHA512 4a0728a2730ab6c7f5bfbc2ffa1f18ee83f12e287dc4a10568f10ebfadd5a6b9be281860553e5c144ae24600bb7e2549c5c8b55b5b14064e6720b14b2ab75c56
-DIST Tcenxtask.patch.gz 1556 BLAKE2B 2f4229e0885cb065b43c7e272846e626aff6ac600e99e0f6fdfdb7b16295a83f81fff441bad5901302a6d7dbe867a4206fa7eb2a58ee23b2e089266e18a2b2bf SHA512 9e11a2566c20b07a458cbd0ebe58e006b3ef04831625f3b88e38d20570945ff5138c18f148491bf890f8431699af3c180d948fe6677acf82d557c44e9a7384b5
-DIST Tddft_grad.patch.gz 1301 BLAKE2B 3afa0ea8355739e86e28c2b2feaaa60627baf61547db93442980655e460640a294c6561d03a42baa6ce694b6ae1a56e20d59558e807f9c436bc1ddf38228b2e7 SHA512 5b047f9bbd42cf5b02e651a43b65a4be95208139a75fe959267a9445fd84c8a47667d7dde24a7c02aa380a9d0d40b7dd74a4ad1051657f8bf582aa1345d45632
-DIST Tddft_mxvec20.patch.gz 55611 BLAKE2B 607dc8f3ae8b7c085b09f0d80ff55f9c456e1cae91f6368f82222246535067a041741300701678d376a2a1235a82e782e1ab652471ef919a31403e4a21962d39 SHA512 c86299e11db3924d78c553be178ba14ccff3d2375a22b08d369908e3616ee2d890c4b4a87891a0ba7f629cd43e07e42caffa9eb1b5f06a48b3c907c91a9f9cae
-DIST Texas_iorb.patch.gz 378 BLAKE2B e47880d8f805d44e0a14ebc27e61184da7c37baa6883b817d763a2d86a8e2c080126c7d3b5be8d833c28c0283d2a7093ec92a18d7e94a7232a74526d95f45dcd SHA512 9dc89172999606245e899a884aac073ebd40a102ba6e4164b0e548ad6cc3b37d5744b70896309c2e53871694aeb63b231b90b12e32c019ec84547b2b12e9c2f2
-DIST Tools_lib64.patch.gz 286 BLAKE2B 5ce342c2b350efe82ae8298b880a5efcd95e3cd3b273ab1a98414957513b1b1642e027f9075eee0bff600ec69690438d51031a636fd02a5193bef123cdd040bd SHA512 ded09149db5074306d590dc3dfa8e8286570207bdef228831e69a4cb4189886859f10b3ebeffe99f2c8820778a864ade85f09cef624a3eddeb42b9dfa4aee260
-DIST Util_md_sockets.patch.gz 324 BLAKE2B 5a890dd5b8d6095b7811888407ba99763f4f200a1ef3af3eeb588bd0d4995d6be6444eff3476a44fada9ed1f3f12a02c23982648f581f521c289cafca801ba9e SHA512 743ae8d7cdbe6612a26a10ce845003abab08c1704956940bccf249d00c1d07cf169cfb3cf648c209d5c1dc564abfeddeb8d216259f463c0d564f617c099f5e82
-DIST Xccvs98.patch.gz 669 BLAKE2B f4021444cc6aaf2aea18c29e510a67f5657d2156709df0bb2c31617ed03611fb0e87e5753dcbe15797e6941f87209cad83ec4c0415e06b64cb989a91d68eea38 SHA512 e14c85ee22bf696d9e8e9f090c9c8b30b23659da28dafd020eeb18be8ab44ec66a6d4550295505b43e3428f0771e47b8c61c3ad60a0b3778b3b4e87280065d60
-DIST Xlmpoles_ifort15.patch.gz 256 BLAKE2B f30f763037cd96afb0d65ba02d4946a1bf61ff85104e6a08919279730bca630aef2e40f2c2bd47bc98a594ca72f38f443b77fb783f2a621a83e4df240acaa275 SHA512 f770263a22d5f680c92d52a521ddbd748633dcdf125fe75f353d70d4557fe4c8f0c25ad07e05d8452124f78523552bb87446bff10532cfccc5bc2ce941aac855
-DIST Zgesvd.patch.gz 714 BLAKE2B 31fdc2e5bf49d36af3e8abbaca2cfd7d5ee6195ea9d86a362a8fe289ad743982e4fa875c7d5cb2197850b5731fc42e3aaca0b10d85a72daf136252d8db40f243 SHA512 4d057169c23fe7d109f92d1c63412c0d640f4a275c10467bce609488e54c70977af83af5afbfc4971d083ac0128652153c7af4728bb98cb3aa2b63a28c9f2cff
diff --git a/sci-chemistry/nwchem/files/nwchem-6.1.1-adjust-dir-length.patch b/sci-chemistry/nwchem/files/nwchem-6.1.1-adjust-dir-length.patch
deleted file mode 100644
index 859c76469..000000000
--- a/sci-chemistry/nwchem/files/nwchem-6.1.1-adjust-dir-length.patch
+++ /dev/null
@@ -1,22 +0,0 @@
---- src/nwpw/libraryps/GNUmakefile	2012-01-26 08:24:05.189490945 +0100
-+++ src/nwpw/libraryps/GNUmakefile	2012-01-26 08:24:16.499490923 +0100
-@@ -10,7 +10,7 @@
- 
-     USES_BLAS = 
- 
--   LONGNWTOP = $(shell if [ `echo $(SRCDIR) |wc -m` -gt 64 ]; then echo "Y"; fi  )
-+   LONGNWTOP = $(shell if [ `echo $(SRCDIR) |wc -m` -gt 80 ]; then echo "Y"; fi  )
- ifeq ($(LONGNWTOP),Y)
- errorlongpwd:
- 	@echo " "
---- src/basis/GNUmakefile	2012-01-26 08:25:03.999490829 +0100
-+++ src/basis/GNUmakefile	2012-01-26 08:25:15.549490805 +0100
-@@ -34,7 +34,7 @@
- ########################################################
- 
-    LIB_TARGETS = testbasis testbasis.o libcheck
--   LONGNWTOP = $(shell if [ `echo $(SRCDIR) |wc -m` -gt 64 ]; then echo "Y"; fi  )
-+   LONGNWTOP = $(shell if [ `echo $(SRCDIR) |wc -m` -gt 80 ]; then echo "Y"; fi  )
- ifeq ($(LONGNWTOP),Y)
- errorlongpwd:
- 	@echo " "
diff --git a/sci-chemistry/nwchem/files/nwchem-6.1.1-makefile.patch b/sci-chemistry/nwchem/files/nwchem-6.1.1-makefile.patch
deleted file mode 100644
index a74d887af..000000000
--- a/sci-chemistry/nwchem/files/nwchem-6.1.1-makefile.patch
+++ /dev/null
@@ -1,14 +0,0 @@
---- src/tools/global/GNUmakefile	2011-12-03 14:34:01.000000000 +0100
-+++ src/tools/global/GNUmakefile	2011-12-03 14:37:40.000000000 +0100
-@@ -68,7 +68,10 @@
- $(LIBRARY): 
- 	(echo TARGET is $(TARGET); cd ./src; $(MAKE) || exit 1;) 
- 
--$(TESTS) %.x:	$(LIBRARY)
-+%.x: $(LIBRARY)
-+	(cd ./testing; $(MAKE) $@ || exit 1;)
-+
-+$(TESTS): $(LIBRARY)
- 	(cd ./testing; $(MAKE) $@  || exit 1;)
- 
- all: $(TESTS)
diff --git a/sci-chemistry/nwchem/files/nwchem-6.1.1-nwchemrc.patch b/sci-chemistry/nwchem/files/nwchem-6.1.1-nwchemrc.patch
deleted file mode 100644
index 4e1e0af1e..000000000
--- a/sci-chemistry/nwchem/files/nwchem-6.1.1-nwchemrc.patch
+++ /dev/null
@@ -1,13 +0,0 @@
---- nwchemrc	2011-12-04 11:29:37.000000000 +0100
-+++ nwchemrc	2011-12-04 11:29:26.000000000 +0100
-@@ -0,0 +1,10 @@
-+nwchem_basis_library /usr/share/NWChem/basis/libraries/
-+nwchem_nwpw_library /usr/share/NWChem/nwpw/libraryps/
-+ffield amber
-+amber_1 /usr/share/NWChem/data/amber_s/
-+amber_2 /usr/share/NWChem/data/amber_q/
-+amber_3 /usr/share/NWChem/data/amber_x/
-+amber_4 /usr/share/NWChem/data/amber_u/
-+spce    /usr/share/NWChem/data/solvents/spce.rst
-+charmm_s /usr/share/NWChem/data/charmm_s/
-+charmm_x /usr/share/NWChem/data/charmm_x/
diff --git a/sci-chemistry/nwchem/files/nwchem-6.1.1-python_makefile.patch b/sci-chemistry/nwchem/files/nwchem-6.1.1-python_makefile.patch
deleted file mode 100644
index 16973b648..000000000
--- a/sci-chemistry/nwchem/files/nwchem-6.1.1-python_makefile.patch
+++ /dev/null
@@ -1,12 +0,0 @@
---- src/config/makefile.h	2011-12-04 12:00:52.000000000 +0100
-+++ src/config/makefile.h	2011-12-04 12:01:56.000000000 +0100
-@@ -2133,7 +2133,7 @@
- endif
- ifdef USE_PYTHON64
--  CORE_LIBS += $(PYTHONHOME)/lib64/python$(PYTHONVERSION)/config/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)
-+  CORE_LIBS += $(PYTHONHOME)/lib64/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)
- else
--  CORE_LIBS += $(PYTHONHOME)/lib/python$(PYTHONVERSION)/config/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)
-+  CORE_LIBS += $(PYTHONHOME)/lib/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)
- endif
- endif
diff --git a/sci-chemistry/nwchem/files/nwchem-6.3-r1-html_doc.patch b/sci-chemistry/nwchem/files/nwchem-6.3-r1-html_doc.patch
deleted file mode 100644
index de7377bd2..000000000
--- a/sci-chemistry/nwchem/files/nwchem-6.3-r1-html_doc.patch
+++ /dev/null
@@ -1,13 +0,0 @@
-diff -Naurp old/doc/update_www new/doc/update_www
---- doc/update_www	2013-05-18 00:40:51.000000000 +0000
-+++ doc/update_www	2013-05-22 12:15:27.543414281 +0000
-@@ -16,7 +16,8 @@ set document = $argv[1]
- echo Updating WWW pages for $document.tex
- #...............   public 
- #foreach WWWDIR (/msrc/www/pub/docs/nwchem/doc)
--foreach WWWDIR (/msrc/emslweb/docs/nwchem/doc)
-+#foreach WWWDIR (/msrc/emslweb/docs/nwchem/doc)
-+foreach WWWDIR ("${NWCHEM_TOP}"/web)
- #
- # Now copy the revised source into the EMSL public WWW tree
-   echo "update_www: Public pages .. "
diff --git a/sci-chemistry/nwchem/files/nwchem-6.5-icosahedron_zcoord.patch b/sci-chemistry/nwchem/files/nwchem-6.5-icosahedron_zcoord.patch
deleted file mode 100644
index acd60d3b3..000000000
--- a/sci-chemistry/nwchem/files/nwchem-6.5-icosahedron_zcoord.patch
+++ /dev/null
@@ -1,12 +0,0 @@
-diff -Naurp nwchem.orig/src/geom/geom_hnd.F nwchem/src/geom/geom_hnd.F
---- nwchem.orig/src/geom/geom_hnd.F	2014-09-10 18:11:03.000000000 +0000
-+++ nwchem/src/geom/geom_hnd.F	2015-01-28 16:14:38.249027101 +0000
-@@ -1644,7 +1644,7 @@ c
-          nlnba=3*mxlnba
-          if (.not. zdone) goto 55555 ! attempt to recover
- c
--         if (nzvar .gt. 10*(max(6,3*nat-6))) then
-+         if (nzvar .gt. 20*(max(6,3*nat-6))) then
- c
- c     Made a z-matrix but it is asburdly big.  Nothing yet to fix this
- c
diff --git a/sci-chemistry/nwchem/files/nwchem-6.5-python_makefile.patch b/sci-chemistry/nwchem/files/nwchem-6.5-python_makefile.patch
deleted file mode 100644
index c37310c79..000000000
--- a/sci-chemistry/nwchem/files/nwchem-6.5-python_makefile.patch
+++ /dev/null
@@ -1,15 +0,0 @@
---- src/config/makefile.h	2014-11-03 14:00:59.808794970 +0100
-+++ src/config/makefile.h	2014-11-03 14:29:13.353470102 +0100
-@@ -2521,10 +2521,10 @@
- endif
- ifdef USE_PYTHON64
--	CORE_LIBS += $(PYTHONHOME)/lib64/python$(PYTHONVERSION)/$(PYTHONCONFIGDIR)/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)
-+	CORE_LIBS += $(PYTHONHOME)/lib64/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)
- else
-   ifeq ($(GOTMINGW32),1)
-   CORE_LIBS += $(PYTHONHOME)/libs/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)
-   else
--  CORE_LIBS += $(PYTHONHOME)/lib/python$(PYTHONVERSION)/$(PYTHONCONFIGDIR)/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)
-+  CORE_LIBS += $(PYTHONHOME)/lib/libpython$(PYTHONVERSION).$(PYTHONLIBTYPE)
-   endif
- endif
diff --git a/sci-chemistry/nwchem/files/nwchem-6.6-unique_tags.patch b/sci-chemistry/nwchem/files/nwchem-6.6-unique_tags.patch
deleted file mode 100644
index e129406e1..000000000
--- a/sci-chemistry/nwchem/files/nwchem-6.6-unique_tags.patch
+++ /dev/null
@@ -1,12 +0,0 @@
-diff -Naurp nwchem-6.6.orig/src/util/nwc_const.fh nwchem-6.6/src/util/nwc_const.fh
---- nwchem-6.6.orig/src/util/nwc_const.fh	2015-10-01 17:33:14.000000000 +0000
-+++ nwchem-6.6/src/util/nwc_const.fh	2015-11-26 10:53:46.386110924 +0000
-@@ -62,7 +62,7 @@
- * Maximum number of unique tags
- *
-       integer nw_max_unq_tags
--      parameter (nw_max_unq_tags = 40)
-+      parameter (nw_max_unq_tags = nw_max_atom)
- *------------------------------------------------------------------------------
- * Maximum number of general contractions in a shell
- *
diff --git a/sci-chemistry/nwchem/metadata.xml b/sci-chemistry/nwchem/metadata.xml
deleted file mode 100644
index 61993bb4b..000000000
--- a/sci-chemistry/nwchem/metadata.xml
+++ /dev/null
@@ -1,34 +0,0 @@
-<?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>
-		<name>Alexey Shvetsov</name>
-	</maintainer>
-	<maintainer type="project">
-		<email>sci-chemistry@gentoo.org</email>
-		<name>Gentoo Chemistry Project</name>
-	</maintainer>
-	<use>
-		<flag name="blas">
-Use external BLAS library instead of the internal routines
-</flag>
-		<flag name="cuda">
-Enable CUDA GPU support for the Tensor Contraction Engine generated
-methods (CI, MBPT, CC)
-</flag>
-		<flag name="int64">
-Use 64 bits integers
-</flag>
-		<flag name="lapack">
-Use external LAPACK library instead of the internal routines
-</flag>
-		<flag name="mrcc">
-Compile the routines for Multi Reference Coupled Clusters theory
-</flag>
-		<flag name="nwchem-tests">Install qa tests data</flag>
-		<flag name="scalapack">
-Use external SCALAPACK library
-</flag>
-	</use>
-</pkgmetadata>
diff --git a/sci-chemistry/nwchem/nwchem-6.3_p2-r1.ebuild b/sci-chemistry/nwchem/nwchem-6.3_p2-r1.ebuild
deleted file mode 100644
index 980b6f392..000000000
--- a/sci-chemistry/nwchem/nwchem-6.3_p2-r1.ebuild
+++ /dev/null
@@ -1,206 +0,0 @@
-# Copyright 1999-2014 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-single-r1 toolchain-funcs
-
-DATE="2013-10-17"
-
-DESCRIPTION="Delivering High-Performance Computational Chemistry to Science"
-HOMEPAGE="http://www.nwchem-sw.org/index.php/Main_Page"
-SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV%_p*}.revision${PV#*_p}-src.${DATE}.tar.gz"
-
-LICENSE="ECL-2.0"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="blas mpi doc examples nwchem-tests openmp mrcc python"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-RDEPEND="
-	sys-fs/sysfsutils
-	python? ( ${PYTHON_DEPS} )"
-DEPEND="${RDEPEND}
-	app-shells/tcsh
-	mpi? ( virtual/mpi[fortran] )
-	doc? (
-		dev-texlive/texlive-latex
-		dev-tex/latex2html )"
-
-LONG_S="${WORKDIR}/${PN}-${PV%_p*}.revision${PV#*_p}-src.${DATE}"
-S="${WORKDIR}/${PN}"
-
-pkg_setup() {
-	# fortran-2.eclass does not handle mpi wrappers
-	if use mpi; then
-		export FC="mpif90"
-		export F77="mpif77"
-		export CC="mpicc"
-		export CXX="mpic++"
-	else
-		tc-export FC F77 CC CXX
-	fi
-
-	use openmp && FORTRAN_NEED_OPENMP=1
-
-	fortran-2_pkg_setup
-
-	if use openmp; then
-		# based on _fortran-has-openmp() of fortran-2.eclass
-		local openmp=""
-		local fcode=ebuild-openmp-flags.f
-		local _fc=$(tc-getFC)
-
-		pushd "${T}"
-		cat <<- EOF > "${fcode}"
-		1     call omp_get_num_threads
-		2     end
-		EOF
-
-		for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do
-			"${_fc}" "${openmp}" "${fcode}" -o "${fcode}.x" && break
-		done
-
-		rm -f "${fcode}.*"
-		popd
-
-		append-flags "${openmp}"
-	fi
-
-	use python && python-single-r1_pkg_setup
-}
-
-src_unpack() {
-	unpack ${A}
-	mv "${LONG_S}" "${S}"
-}
-
-src_prepare() {
-	epatch \
-		"${FILESDIR}"/nwchem-6.1.1-makefile.patch \
-		"${FILESDIR}"/nwchem-6.1.1-nwchemrc.patch \
-		"${FILESDIR}"/nwchem-6.1.1-adjust-dir-length.patch
-	use python && epatch "${FILESDIR}"/nwchem-6.1.1-python_makefile.patch
-	use doc && epatch "${FILESDIR}"/nwchem-6.3-r1-html_doc.patch
-
-	sed \
-		-e "s:DBASIS_LIBRARY=\"'\$(SRCDIR)'\":DBASIS_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
-		-i src/basis/MakeFile src/basis/GNUmakefile || die
-	sed \
-		-e "s:DNWPW_LIBRARY=\"'\$(SRCDIR)'\":DNWPW_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
-		-i src/nwpw/libraryps/GNUmakefile || die
-	sed \
-		-e "s:-DCOMPILATION_DIR=\"'\$(TOPDIR)'\":-DCOMPILATION_DIR=\"''\":g" \
-		-i src/GNUmakefile src/MakeFile || die
-
-	if [[ $(tc-getFC) == *-*-*-*-gfortran ]]; then
-		sed \
-			-e "s:ifneq (\$(FC),gfortran):ifneq (\$(FC),$(tc-getFC)):g" \
-			-e "s:ifeq (\$(FC),gfortran):ifeq (\$(FC),$(tc-getFC)):g" \
-			-i src/config/makefile.h || die
-	fi
-}
-
-src_compile() {
-	export USE_SUBGROUPS=yes
-	if use mpi ; then
-		export MSG_COMMS=MPI
-		export USE_MPI=y
-		export USE_MPIF=y
-		export MPI_LOC="${EPREFIX}"/usr
-		export MPI_INCLUDE=$MPI_LOC/include
-		export MPI_LIB=$MPI_LOC/$(get_libdir)
-		export LIBMPI="$(mpif90 -showme:link)"
-	else
-		unset USE_MPI
-		unset USE_MPIF
-		export MSG_COMMS=TCGMSG
-		export ARMCI_NETWORK=SOCKETS
-	fi
-	if [ "$ARCH" = "amd64" ]; then
-		export NWCHEM_TARGET=LINUX64
-	elif [ "$ARCH" = "ia64" ]; then
-		export NWCHEM_TARGET=LINUX64
-	elif [ "$ARCH" = "x86" ]; then
-		export NWCHEM_TARGET=LINUX
-	elif [ "$ARCH" = "ppc" ]; then
-		export NWCHEM_TARGET=LINUX
-	else
-		die "Unknown architecture"
-	fi
-	if use python ; then
-		if [ "$ARCH" = "amd64" ] || [ "$ARCH" = "ia64" ]; then
-			export USE_PYTHON64=yes
-		fi
-		export PYTHONHOME=/usr
-		export PYTHONVERSION=$(eselect python show --python2 |awk -Fpython '{ print $2 }')
-		export PYTHONPATH="./:${S}/contrib/python/"
-		export NWCHEM_MODULES="all python"
-	else
-		export NWCHEM_MODULES="all"
-	fi
-	use mrcc && export MRCC_THEORY="TRUE"
-	if use blas; then
-		export HAS_BLAS=yes
-		export BLASOPT="$(pkg-config --libs blas)"
-	else
-		unset HAS_BLAS
-		unset BLASOPT
-	fi
-	export LARGE_FILES="TRUE"
-
-	cd src
-	emake \
-		DIAG=PAR \
-		FC=$(tc-getFC) \
-		CC=$(tc-getCC) \
-		CXX=$(tc-getCXX) \
-		NWCHEM_TOP="${S}" \
-		NWCHEM_EXECUTABLE="${S}/bin/${NWCHEM_TARGET}/nwchem"
-
-	if use doc; then
-		cd "${S}"/doc
-		export VARTEXFONTS="${T}/fonts"
-		emake \
-			DIAG=PAR \
-			NWCHEM_TOP="${S}" \
-			pdf html
-	fi
-}
-
-src_install() {
-	dobin bin/${NWCHEM_TARGET}/nwchem
-
-	insinto /usr/share/NWChem/basis/
-	doins -r src/basis/libraries src/data
-	insinto /usr/share/NWChem/nwpw
-	doins -r src/nwpw/libraryps
-
-	insinto /etc
-	doins nwchemrc
-
-	use examples && \
-		insinto /usr/share/NWChem/ && \
-		doins -r examples
-
-	use nwchem-tests && \
-		insinto /usr/share/NWChem && \
-		doins -r QA/tests
-
-	use doc && \
-		insinto /usr/share/doc/"${P}" && \
-		doins -r doc/nwahtml && \
-		doins -r web
-
-}
-
-pkg_postinst() {
-	echo
-	elog "The user will need to link \$HOME/.nwchemrc to /etc/nwchemrc"
-	elog "or copy it in order to tell NWChem the right position of the"
-	elog "basis library and other necessary data."
-	echo
-}
diff --git a/sci-chemistry/nwchem/nwchem-6.5_p26243-r7.ebuild b/sci-chemistry/nwchem/nwchem-6.5_p26243-r7.ebuild
deleted file mode 100644
index f11a699df..000000000
--- a/sci-chemistry/nwchem/nwchem-6.5_p26243-r7.ebuild
+++ /dev/null
@@ -1,292 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-single-r1 toolchain-funcs
-
-DATE="2014-09-10"
-
-DESCRIPTION="Delivering High-Performance Computational Chemistry to Science"
-HOMEPAGE="http://www.nwchem-sw.org/index.php/Main_Page"
-SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV%_p*}.revision${PV#*_p}-src.${DATE}.tar.gz
-	http://www.nwchem-sw.org/images/Util_md_sockets.patch.gz
-	http://www.nwchem-sw.org/images/Hbar.patch.gz
-	http://www.nwchem-sw.org/images/Tcenxtask.patch.gz
-	http://www.nwchem-sw.org/images/Hnd_giaxyz_noinline.patch.gz
-	http://www.nwchem-sw.org/images/Parallelmpi.patch.gz
-	http://www.nwchem-sw.org/images/Makefile_gcc4x.patch.gz
-	http://www.nwchem-sw.org/images/Bcast_ccsd.patch.gz
-	http://www.nwchem-sw.org/images/Elpa_syncs.patch.gz
-	http://www.nwchem-sw.org/images/Xlmpoles_ifort15.patch.gz
-	http://www.nwchem-sw.org/images/Ifort15_fpp_offload.patch.gz
-	http://www.nwchem-sw.org/images/Texas_iorb.patch.gz
-	http://www.nwchem-sw.org/images/Dmapp_inc.patch.gz
-	http://www.nwchem-sw.org/images/Print1e.patch.gz
-	http://www.nwchem-sw.org/images/Hnd_rys.patch.gz
-	http://www.nwchem-sw.org/images/Tddft_grad.patch.gz"
-
-LICENSE="ECL-2.0"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="blas cuda doc examples infiniband int64 lapack mrcc nwchem-tests openmp python scalapack"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )
-	scalapack? ( !int64 )
-	lapack? ( blas )
-	scalapack? ( blas )"
-
-RDEPEND="
-	sys-fs/sysfsutils
-	blas? ( virtual/blas )
-	lapack? ( virtual/lapack )
-	scalapack? ( virtual/scalapack )
-	cuda? ( dev-util/nvidia-cuda-sdk )
-	int64? (
-		blas? ( virtual/blas[int64] )
-		lapack? ( virtual/lapack[int64] )
-	)
-	python? ( ${PYTHON_DEPS} )"
-DEPEND="${RDEPEND}
-	virtual/pkgconfig
-	app-shells/tcsh
-	virtual/mpi[fortran]
-	infiniband? ( || (
-		sys-cluster/openmpi[fortran,openmpi_fabrics_ofed]
-		sys-cluster/mvapich2[fortran]
-	) )
-	doc? (
-		dev-texlive/texlive-latex
-		dev-tex/latex2html )"
-
-LONG_S="${WORKDIR}/Nwchem-${PV%_p*}.revision${PV#*_p}-src.${DATE}"
-S="${WORKDIR}/${PN}"
-
-pkg_setup() {
-	# fortran-2.eclass does not handle mpi wrappers
-	export FC="mpif90"
-	export F77="mpif77"
-	export CC="mpicc"
-	export CXX="mpic++"
-
-	use openmp && FORTRAN_NEED_OPENMP=1
-
-	fortran-2_pkg_setup
-
-	if use openmp; then
-		# based on _fortran-has-openmp() of fortran-2.eclass
-		local openmp=""
-		local fcode=ebuild-openmp-flags.f
-		local _fc=$(tc-getFC)
-
-		pushd "${T}"
-		cat <<- EOF > "${fcode}"
-		1     call omp_get_num_threads
-		2     end
-		EOF
-
-		for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do
-			"${_fc}" "${openmp}" "${fcode}" -o "${fcode}.x" && break
-		done
-
-		rm -f "${fcode}.*"
-		popd
-
-#		append-flags "${openmp}"
-#		append-ldflags "${openmp}
-		export FC="${FC} ${openmp}"
-		export F77="${F77} ${openmp}"
-		export CC="${CC} ${openmp}"
-		export CXX="${CXX} ${openmp}"
-	fi
-
-	use python && python-single-r1_pkg_setup
-}
-
-src_unpack() {
-	unpack ${A}
-	mv "${LONG_S}" "${S}"
-}
-
-src_prepare() {
-	pushd "${S}"/src
-		for p in Util_md_sockets Hbar Tcenxtask Parallelmpi Makefile_gcc4x Bcast_ccsd Elpa_syncs Xlmpoles_ifort15 Ifort15_fpp_offload Texas_iorb Dmapp_inc Print1e Hnd_rys Tddft_grad
-			do epatch "${WORKDIR}"/"${p}.patch"
-		done
-		cd NWints/hondo
-		epatch "${WORKDIR}"/Hnd_giaxyz_noinline.patch
-	popd
-	epatch "${FILESDIR}"/nwchem-6.1.1-nwchemrc.patch
-	epatch "${FILESDIR}"/nwchem-6.5-icosahedron_zcoord.patch
-	use python && epatch "${FILESDIR}"/nwchem-6.5-python_makefile.patch
-	use doc && epatch "${FILESDIR}"/nwchem-6.3-r1-html_doc.patch
-
-	sed \
-		-e "s:DBASIS_LIBRARY=\"'\$(SRCDIR)'\":DBASIS_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
-		-i src/basis/MakeFile src/basis/GNUmakefile || die
-	sed \
-		-e "s:DNWPW_LIBRARY=\"'\$(SRCDIR)'\":DNWPW_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
-		-i src/nwpw/libraryps/GNUmakefile || die
-	sed \
-		-e "s:-DCOMPILATION_DIR=\"'\$(TOPDIR)'\":-DCOMPILATION_DIR=\"''\":g" \
-		-i src/GNUmakefile src/MakeFile || die
-
-	if [[ $(tc-getFC) == *-*-*-*-gfortran ]]; then
-		sed \
-			-e "s:ifneq (\$(FC),gfortran):ifneq (\$(FC),$(tc-getFC)):g" \
-			-e "s:ifeq (\$(FC),gfortran):ifeq (\$(FC),$(tc-getFC)):g" \
-			-i src/config/makefile.h || die
-	fi
-}
-
-src_compile() {
-	export NWCHEM_LONG_PATHS=Y
-	use openmp && export USE_OPENMP=1
-	export USE_MPI=y
-	export USE_MPIF=y
-	export USE_MPIF4=y
-	export MPI_LOC="${EPREFIX}"/usr
-	export MPI_INCLUDE=$MPI_LOC/include
-	export MPI_LIB=$MPI_LOC/$(get_libdir)
-	export LIBMPI="$(mpif90 -showme:link)"
-	if use infiniband; then
-		export ARMCI_NETWORK=OPENIB
-		export MSG_COMMS=MPI
-	else
-		unset ARMCI_NETWORK
-	fi
-	if [ "$ARCH" = "amd64" ]; then
-		export NWCHEM_TARGET=LINUX64
-	elif [ "$ARCH" = "ia64" ]; then
-		export NWCHEM_TARGET=LINUX64
-	elif [ "$ARCH" = "x86" ]; then
-		export NWCHEM_TARGET=LINUX
-	elif [ "$ARCH" = "ppc" ]; then
-		export NWCHEM_TARGET=LINUX
-	else
-		die "Unknown architecture"
-	fi
-	if use python ; then
-		if [ "$ARCH" = "amd64" ] || [ "$ARCH" = "ia64" ]; then
-			export USE_PYTHON64=yes
-		fi
-		export PYTHONHOME=/usr
-		export PYTHONVERSION=$(eselect python show --python2 |awk -Fpython '{ print $2 }')
-		export PYTHONPATH="./:${S}/contrib/python/"
-		export NWCHEM_MODULES="all python"
-	else
-		export NWCHEM_MODULES="all"
-	fi
-	use mrcc && export MRCC_METHODS="TRUE" # Multi Reference Coupled Clusters
-	export CCSDTQ="TRUE"                   # Coupled Clusters Singlets + Dublets + Triplets + Quadruplets
-	export CCSDTLR="TRUE"                  # CCSDT (and CCSDTQ?) Linear Response
-	export EACCSD="TRUE"                   # Electron Affinities at the CCSD level
-	export IPCCSD="TRUE"                   # Ionisation Potentials at the CCSD level
-	unset BLASOPT
-	local blaspkg="blas"
-	local lapackpkg="lapack"
-	if use int64; then
-		blaspkg="blas-int64"
-		lapackpkg="lapack-int64"
-	fi
-	use blas && export BLASOPT="$($(tc-getPKG_CONFIG) --libs ${blaspkg})"
-	use lapack && export BLASOPT+=" $($(tc-getPKG_CONFIG) --libs ${lapackpkg})"
-	use scalapack && export BLASOPT+=" $($(tc-getPKG_CONFIG) --libs scalapack)"
-	if use cuda; then
-		export TCE_CUDA=Y
-		export CUDA_PATH=/opt/cuda
-		export CUDA=${CUDA_PATH}/bin/nvcc
-		export CUDA_FLAGS="-arch=compute_20 -code=sm_20,compute_20"
-		export CUDA_INCLUDE="-I${CUDA_PATH}/include"
-		export CUDA_LIBS="-L${CUDA_PATH}/$(get_libdir) -lcublas -lcufft -lcudart -lcuda -lstdc++"
-	fi
-	export LARGE_FILES="TRUE"
-
-	cd src
-	if use blas && [ "$NWCHEM_TARGET" = "LINUX64" ]; then
-		if use int64; then
-			export BLAS_SIZE=8
-			export LAPACK_SIZE=8
-			export SCALAPACK_SIZE=8
-		else
-			emake \
-				DIAG=PAR \
-				FC="$(tc-getFC)" \
-				CC="$(tc-getCC)" \
-				CXX="$(tc-getCXX)" \
-				NWCHEM_TOP="${S}" \
-				clean
-			emake \
-				DIAG=PAR \
-				FC="$(tc-getFC)" \
-				CC="$(tc-getCC)" \
-				CXX="$(tc-getCXX)" \
-				NWCHEM_TOP="${S}" \
-				64_to_32
-			export BLAS_SIZE=4
-			export LAPACK_SIZE=4
-			export SCALAPACK_SIZE=4
-			export USE_64TO32=y
-		fi
-	fi
-	emake \
-		DIAG=PAR \
-		FC="$(tc-getFC)" \
-		CC="$(tc-getCC)" \
-		CXX="$(tc-getCXX)" \
-		NWCHEM_TOP="${S}" \
-		NWCHEM_EXECUTABLE="${S}/bin/${NWCHEM_TARGET}/nwchem" \
-		nwchem_config
-	emake \
-		DIAG=PAR \
-		FC="$(tc-getFC)" \
-		CC="$(tc-getCC)" \
-		CXX="$(tc-getCXX)" \
-		NWCHEM_TOP="${S}" \
-		NWCHEM_EXECUTABLE="${S}/bin/${NWCHEM_TARGET}/nwchem"
-
-	if use doc; then
-		cd "${S}"/doc
-		export VARTEXFONTS="${T}/fonts"
-		emake \
-			DIAG=PAR \
-			NWCHEM_TOP="${S}" \
-			pdf html
-	fi
-}
-
-src_install() {
-	dobin bin/${NWCHEM_TARGET}/nwchem
-
-	insinto /usr/share/NWChem/basis/
-	doins -r src/basis/libraries src/data
-	insinto /usr/share/NWChem/nwpw
-	doins -r src/nwpw/libraryps
-
-	insinto /etc
-	doins nwchemrc
-
-	use examples && \
-		insinto /usr/share/NWChem/ && \
-		doins -r examples
-
-	use nwchem-tests && \
-		insinto /usr/share/NWChem && \
-		doins -r QA/tests
-
-	use doc && \
-		insinto /usr/share/doc/"${P}" && \
-		doins -r doc/nwahtml && \
-		doins -r web
-
-}
-
-pkg_postinst() {
-	echo
-	elog "The user will need to link \$HOME/.nwchemrc to /etc/nwchemrc"
-	elog "or copy it in order to tell NWChem the right position of the"
-	elog "basis library and other necessary data."
-	echo
-}
diff --git a/sci-chemistry/nwchem/nwchem-6.6_p27746-r2.ebuild b/sci-chemistry/nwchem/nwchem-6.6_p27746-r2.ebuild
deleted file mode 100644
index fc2f110e9..000000000
--- a/sci-chemistry/nwchem/nwchem-6.6_p27746-r2.ebuild
+++ /dev/null
@@ -1,278 +0,0 @@
-# Copyright 1999-2017 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-single-r1 toolchain-funcs
-
-DATE="2015-10-20"
-
-DESCRIPTION="Delivering High-Performance Computational Chemistry to Science"
-HOMEPAGE="http://www.nwchem-sw.org/index.php/Main_Page"
-PATCH_REPO="http://www.nwchem-sw.org/images"
-PATCH_LIST="Tddft_mxvec20 Tools_lib64 Config_libs66 Cosmo_meminit Sym_abelian
-Xccvs98 Dplot_tolrho Driver_smalleig Ga_argv Raman_displ Ga_defs Zgesvd Cosmo_dftprint"
-SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV%_p*}.revision${PV#*_p}-src.${DATE}.tar.bz2
-	$(for p in ${PATCH_LIST[@]}; do echo ${PATCH_REPO}/${p}.patch.gz; done)"
-
-LICENSE="ECL-2.0"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="blas cuda doc examples infiniband int64 lapack mrcc nwchem-tests openmp python scalapack"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )
-	scalapack? ( !int64 )
-	lapack? ( blas )
-	scalapack? ( blas )"
-
-RDEPEND="
-	sys-fs/sysfsutils
-	blas? ( virtual/blas )
-	lapack? ( virtual/lapack )
-	scalapack? ( virtual/scalapack )
-	cuda? ( dev-util/nvidia-cuda-sdk )
-	int64? (
-		blas? ( virtual/blas[int64] )
-		lapack? ( virtual/lapack[int64] )
-	)
-	python? ( ${PYTHON_DEPS} )"
-DEPEND="${RDEPEND}
-	virtual/pkgconfig
-	app-shells/tcsh
-	virtual/mpi[fortran]
-	infiniband? ( || (
-		sys-cluster/openmpi[fortran,openmpi_fabrics_ofed]
-		sys-cluster/mvapich2[fortran]
-	) )
-	doc? (
-		dev-texlive/texlive-latex
-		dev-tex/latex2html )"
-
-LONG_S="${WORKDIR}/Nwchem-${PV%_p*}.revision${PV#*_p}-src.${DATE}"
-S="${WORKDIR}/${PN}-${PV%_p*}"
-
-pkg_setup() {
-	# fortran-2.eclass does not handle mpi wrappers
-	export FC="mpif90"
-	export F77="mpif77"
-	export CC="mpicc"
-	export CXX="mpic++"
-
-	use openmp && FORTRAN_NEED_OPENMP=1
-
-	fortran-2_pkg_setup
-
-	if use openmp; then
-		# based on _fortran-has-openmp() of fortran-2.eclass
-		local openmp=""
-		local fcode=ebuild-openmp-flags.f
-		local _fc=$(tc-getFC)
-
-		pushd "${T}"
-		cat <<- EOF > "${fcode}"
-		1     call omp_get_num_threads
-		2     end
-		EOF
-
-		for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do
-			"${_fc}" "${openmp}" "${fcode}" -o "${fcode}.x" && break
-		done
-
-		rm -f "${fcode}.*"
-		popd
-
-		export FC="${FC} ${openmp}"
-		export F77="${F77} ${openmp}"
-		export CC="${CC} ${openmp}"
-		export CXX="${CXX} ${openmp}"
-	fi
-
-	use python && python-single-r1_pkg_setup
-}
-
-src_unpack() {
-	unpack ${A}
-	mv "${LONG_S}" "${S}"
-}
-
-src_prepare() {
-	for p in ${PATCH_LIST[@]}
-		do epatch "${WORKDIR}"/"${p}.patch"
-	done
-	epatch "${FILESDIR}"/nwchem-6.1.1-nwchemrc.patch
-	epatch "${FILESDIR}"/nwchem-6.5-icosahedron_zcoord.patch
-	epatch "${FILESDIR}"/nwchem-6.6-unique_tags.patch
-	use python && epatch "${FILESDIR}"/nwchem-6.5-python_makefile.patch
-	use doc && epatch "${FILESDIR}"/nwchem-6.3-r1-html_doc.patch
-
-	sed \
-		-e "s:DBASIS_LIBRARY=\"'\$(SRCDIR)'\":DBASIS_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
-		-i src/basis/MakeFile src/basis/GNUmakefile || die
-	sed \
-		-e "s:DNWPW_LIBRARY=\"'\$(SRCDIR)'\":DNWPW_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
-		-i src/nwpw/libraryps/GNUmakefile || die
-	sed \
-		-e "s:-DCOMPILATION_DIR=\"'\$(TOPDIR)'\":-DCOMPILATION_DIR=\"''\":g" \
-		-i src/GNUmakefile src/MakeFile || die
-
-	if [[ $(tc-getFC) == *-*-*-*-gfortran ]]; then
-		sed \
-			-e "s:ifneq (\$(FC),gfortran):ifneq (\$(FC),$(tc-getFC)):g" \
-			-e "s:ifeq (\$(FC),gfortran):ifeq (\$(FC),$(tc-getFC)):g" \
-			-i src/config/makefile.h || die
-	fi
-}
-
-src_compile() {
-	export NWCHEM_LONG_PATHS=Y
-	use openmp && export USE_OPENMP=1
-	export USE_MPI=y
-	export USE_MPIF=y
-	export USE_MPIF4=y
-	export MPI_LOC="${EPREFIX}"/usr
-	export MPI_INCLUDE=$MPI_LOC/include
-	export MPI_LIB=$MPI_LOC/$(get_libdir)
-	export LIBMPI="$(mpif90 -showme:link)"
-	if use infiniband; then
-		export ARMCI_NETWORK=OPENIB
-		export MSG_COMMS=MPI
-		export IB_INCLUDE="-I${MPI_INCLUDE}"
-		export IB_LIB="-L${MPI_LIB}"
-	else
-		unset ARMCI_NETWORK
-	fi
-	if [ "$ARCH" = "amd64" ]; then
-		export NWCHEM_TARGET=LINUX64
-	elif [ "$ARCH" = "ia64" ]; then
-		export NWCHEM_TARGET=LINUX64
-	elif [ "$ARCH" = "x86" ]; then
-		export NWCHEM_TARGET=LINUX
-	elif [ "$ARCH" = "ppc" ]; then
-		export NWCHEM_TARGET=LINUX
-	else
-		die "Unknown architecture"
-	fi
-	if use python ; then
-		if [ "$ARCH" = "amd64" ] || [ "$ARCH" = "ia64" ]; then
-			export USE_PYTHON64=yes
-		fi
-		export PYTHONHOME=/usr
-		export PYTHONVERSION=$(eselect python show --python2 |awk -Fpython '{ print $2 }')
-		export PYTHONPATH="./:${S}/contrib/python/"
-		export NWCHEM_MODULES="all python"
-	else
-		export NWCHEM_MODULES="all"
-	fi
-	use mrcc && export MRCC_METHODS="TRUE" # Multi Reference Coupled Clusters
-	export CCSDTQ="TRUE"                   # Coupled Clusters Singlets + Dublets + Triplets + Quadruplets
-	export CCSDTLR="TRUE"                  # CCSDT (and CCSDTQ?) Linear Response
-	export EACCSD="TRUE"                   # Electron Affinities at the CCSD level
-	export IPCCSD="TRUE"                   # Ionisation Potentials at the CCSD level
-	unset BLASOPT
-	local blaspkg="blas"
-	local lapackpkg="lapack"
-	if use int64; then
-		blaspkg="blas-int64"
-		lapackpkg="lapack-int64"
-	fi
-	use blas && export BLASOPT="$($(tc-getPKG_CONFIG) --libs ${blaspkg})"
-	use lapack && export BLASOPT+=" $($(tc-getPKG_CONFIG) --libs ${lapackpkg})"
-	use scalapack && export BLASOPT+=" $($(tc-getPKG_CONFIG) --libs scalapack)"
-	if use cuda; then
-		export TCE_CUDA=Y
-		export CUDA_PATH=/opt/cuda
-		export CUDA=${CUDA_PATH}/bin/nvcc
-		export CUDA_FLAGS="-arch=compute_20 -code=sm_20,compute_20"
-		export CUDA_INCLUDE="-I${CUDA_PATH}/include"
-		export CUDA_LIBS="-L${CUDA_PATH}/$(get_libdir) -lcublas -lcufft -lcudart -lcuda -lstdc++"
-	fi
-	export LARGE_FILES="TRUE"
-
-	cd src
-	if use blas && [ "$NWCHEM_TARGET" = "LINUX64" ]; then
-		if use int64; then
-			export BLAS_SIZE=8
-			export LAPACK_SIZE=8
-			export SCALAPACK_SIZE=8
-		else
-			emake \
-				DIAG=PAR \
-				FC="$(tc-getFC)" \
-				CC="$(tc-getCC)" \
-				CXX="$(tc-getCXX)" \
-				NWCHEM_TOP="${S}" \
-				clean
-			emake \
-				DIAG=PAR \
-				FC="$(tc-getFC)" \
-				CC="$(tc-getCC)" \
-				CXX="$(tc-getCXX)" \
-				NWCHEM_TOP="${S}" \
-				64_to_32
-			export BLAS_SIZE=4
-			export LAPACK_SIZE=4
-			export SCALAPACK_SIZE=4
-			export USE_64TO32=y
-		fi
-	fi
-	emake \
-		DIAG=PAR \
-		FC="$(tc-getFC)" \
-		CC="$(tc-getCC)" \
-		CXX="$(tc-getCXX)" \
-		NWCHEM_TOP="${S}" \
-		NWCHEM_EXECUTABLE="${S}/bin/${NWCHEM_TARGET}/nwchem" \
-		nwchem_config
-	emake \
-		DIAG=PAR \
-		FC="$(tc-getFC)" \
-		CC="$(tc-getCC)" \
-		CXX="$(tc-getCXX)" \
-		NWCHEM_TOP="${S}" \
-		NWCHEM_EXECUTABLE="${S}/bin/${NWCHEM_TARGET}/nwchem"
-
-	if use doc; then
-		cd "${S}"/doc
-		export VARTEXFONTS="${T}/fonts"
-		emake \
-			DIAG=PAR \
-			NWCHEM_TOP="${S}" \
-			pdf html
-	fi
-}
-
-src_install() {
-	dobin bin/${NWCHEM_TARGET}/nwchem
-
-	insinto /usr/share/NWChem/basis/
-	doins -r src/basis/libraries src/data
-	insinto /usr/share/NWChem/nwpw
-	doins -r src/nwpw/libraryps
-
-	insinto /etc
-	doins nwchemrc
-
-	use examples && \
-		insinto /usr/share/NWChem/ && \
-		doins -r examples
-
-	use nwchem-tests && \
-		insinto /usr/share/NWChem && \
-		doins -r QA/tests
-
-	use doc && \
-		insinto /usr/share/doc/"${P}" && \
-		doins -r doc/nwahtml && \
-		doins -r web
-
-}
-
-pkg_postinst() {
-	echo
-	elog "The user will need to link \$HOME/.nwchemrc to /etc/nwchemrc"
-	elog "or copy it in order to tell NWChem the right position of the"
-	elog "basis library and other necessary data."
-	echo
-}