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-rw-r--r--sci-chemistry/Manifest.gzbin14886 -> 14889 bytes
-rw-r--r--sci-chemistry/chemical-mime-data/Manifest1
-rw-r--r--sci-chemistry/chemical-mime-data/files/chemical-mime-data-0.1.94-rsvg-convert.patch30
-rw-r--r--sci-chemistry/gperiodic/Manifest2
-rw-r--r--sci-chemistry/gperiodic/gperiodic-3.0.3.ebuild2
-rw-r--r--sci-chemistry/pymol-plugins-promol/Manifest2
-rw-r--r--sci-chemistry/pymol-plugins-promol/pymol-plugins-promol-3.0.2-r1.ebuild4
-rw-r--r--sci-chemistry/votca-csg/Manifest4
-rw-r--r--sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild92
-rw-r--r--sci-chemistry/votca-csgapps/Manifest2
-rw-r--r--sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild33
-rw-r--r--sci-chemistry/votca-xtp/Manifest2
-rw-r--r--sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild45
13 files changed, 183 insertions, 36 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index 4f40a88e8f4a..47701b13d982 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
Binary files differ
diff --git a/sci-chemistry/chemical-mime-data/Manifest b/sci-chemistry/chemical-mime-data/Manifest
index 0d50b7faa712..4e49779120c9 100644
--- a/sci-chemistry/chemical-mime-data/Manifest
+++ b/sci-chemistry/chemical-mime-data/Manifest
@@ -2,7 +2,6 @@ AUX chemical-mime-data-0.1.94-drop-turbomole-vibrational.patch 934 BLAKE2B 8c35a
AUX chemical-mime-data-0.1.94-namespace-svg.patch 798 BLAKE2B 4ab826dd3c76234c903a740b2e59dd4403d01aff856327d31c6707ab4563931d9fe4d9d57bdc19d6102d63d860eb2d88220844b934aa63cc3be984621ac52d28 SHA512 64addfac817a7f056f381515561b4311936410dc46385a3ded8c65f8fbc3d5dda731c4ec02e9369299c8122e7c43a6dc53005a4957e4165bbf958f683708513d
AUX chemical-mime-data-0.1.94-pigz.patch 481 BLAKE2B dee47e41645b5d196326fb7439e1a96b3d46983fa9c9ec4295b17676d51f966f48ff51668203e59f18580939337d83d5ae904ef33fe2044dcc62fedd90fcb82e SHA512 a16839c1b88486ed26b4987a22594d0c3d45254d31157560135bdba008e5caa0a372d11e7db858564f1eca75452d2e43509899a91c2a8872465ea06277a1fb6c
AUX chemical-mime-data-0.1.94-rsvg-convert-r2.patch 1305 BLAKE2B 22809dbd6c769a0dcc88d65c3454702021d9d6e082a50fce9a5f3a28743aafdbcb5e153a90ee43f7a42d4ccd5f98465f91f872e7fabf69086b8ecf1336a60e49 SHA512 4bea8dae65e28657ff75b5b613137c0f89f6de185db79297642616f208e841ba56181044eee194c619bad2c3bfb62454b7839b720d2f32fca0e768b75c842683
-AUX chemical-mime-data-0.1.94-rsvg-convert.patch 1039 BLAKE2B 2eff2aa39206181f56bc802c30b4b043a0aeccef55c5d4e34755dcca69cc3afadd6cac364307729d8d83c88b7ba1d91d7200a80c7bd577e22c6ec5aec3b1921d SHA512 9c12f96f16e7982a5ba11fc546293a2e74f8918ef6eb274e3b1a618fc28aff244402c9b28ffebc2e01c8f6eb0e9e2516da82852bd0f9142c10e97f027670e60d
AUX chemical-mime-data-0.1.94-turbomole.patch 2451 BLAKE2B 86b4b08b2af4503e0f8a525ebaa4231a3d0d3727c951b9e957c9fdac790bc41b7f01092350099a64cce66dbb61bc4cbd3654ef91834310c6c7cd1dc156ca87e8 SHA512 1bfa8818d159f0f917a24a06b0bfe926f0854f4242d8c2dbbedcd4210ffd38a459298862dc1d1aedbbe648a933db99c5d647c5409af74f88b03dd3033946df54
DIST chemical-mime-data-0.1.94.tar.bz2 146077 BLAKE2B 9996c240446dc9571b6b4afbcdc6cf16a08e11314da9f785490b1b20933b6d18a333132492e30315c08f4441c048ec593a111815253050cfb5ab562aadb784f1 SHA512 7f3d967149f27ab1de53c948dc055959e661e1be9d778e3d56d06bea95769da7770ab5fb66afab6607747ef91ffb1dbbcf921e5f06e3303351781968594b5f00
EBUILD chemical-mime-data-0.1.94-r4.ebuild 1091 BLAKE2B 2014dc00aed88c563263444a32fa008b440413ddacca3a8e08a9f07191a0595f5166715e12f31c5454b32fe0561476b4b4400aeee6e7a99c9d791f923bd8b4fa SHA512 6760106eb5303b951b3a245de3da8356cf73a7bc6ba788554b308fd31c004ff18729e7c223264df011ac2a3493e201525e394b4f2a63bc4e7fbade9f0056663f
diff --git a/sci-chemistry/chemical-mime-data/files/chemical-mime-data-0.1.94-rsvg-convert.patch b/sci-chemistry/chemical-mime-data/files/chemical-mime-data-0.1.94-rsvg-convert.patch
deleted file mode 100644
index 8a92e19e1578..000000000000
--- a/sci-chemistry/chemical-mime-data/files/chemical-mime-data-0.1.94-rsvg-convert.patch
+++ /dev/null
@@ -1,30 +0,0 @@
- configure.ac | 2 +-
- icons/hicolor/Makefile.am | 2 +-
- 2 files changed, 2 insertions(+), 2 deletions(-)
-
-diff --git a/configure.ac b/configure.ac
-index 6f87a94..a503da4 100644
---- a/configure.ac
-+++ b/configure.ac
-@@ -102,7 +102,7 @@ if test "x$enable_convert" != "xyes" -a "x$CONVERT" = "xno" ; then
- [RSVG],
- [The 'rsvg' binary with path. Use it to define or override the location of 'rsvg'.]
- )
-- AC_PATH_PROG([RSVG], [rsvg], [no])
-+ AC_PATH_PROG([RSVG], [rsvg-convert], [no])
- AC_SUBST([RSVG])
- fi
-
-diff --git a/icons/hicolor/Makefile.am b/icons/hicolor/Makefile.am
-index ba0847a..f2e0a84 100644
---- a/icons/hicolor/Makefile.am
-+++ b/icons/hicolor/Makefile.am
-@@ -24,7 +24,7 @@ if BOOL_HICOLOR_THEME
- gzip -c $< > $@
- for size in $(icon_sizes) ; do \
- if test "x$(RSVG)" != "x" ; then \
-- $(RSVG) -w $${size} -h $${size} -f png $< $*_$${size}.png ; \
-+ $(RSVG) -w $${size} -h $${size} -f png $< --output $*_$${size}.png ; \
- else \
- $(CONVERT) $< -resize $${size}x$${size} $*_$${size}.png ; \
- fi \
diff --git a/sci-chemistry/gperiodic/Manifest b/sci-chemistry/gperiodic/Manifest
index b3549721e09e..1e70b609648b 100644
--- a/sci-chemistry/gperiodic/Manifest
+++ b/sci-chemistry/gperiodic/Manifest
@@ -7,5 +7,5 @@ DIST gperiodic-3.0.1.tar.gz 375347 BLAKE2B fb10c7d3484e822e636a8aca245ab2a68a95c
DIST gperiodic-3.0.3.tar.gz 451559 BLAKE2B b91995046b9905a534e3b6f530aee0ad2b4e6ac42cd11755ea182fdaaf8970f34b1aea8a33870abb8767837606a42a0cf0d76c9a689236aa39fba686e1521ee8 SHA512 7226063cf7977f4283a199d4a3d1842d6c9be60c53f5a005541eb26f35cd6538b29f086dc13c28225779e1849a12d1c39150897055c03902cb00adc011bc1ce8
EBUILD gperiodic-2.0.10-r2.ebuild 980 BLAKE2B b5ba74641f0f3ae67d8bb727d25d73f05f2f9cd900863264c358ab41be3cfeb9fddd39b17d6eb017238add96318e12d7a6067be57024bbd5b21882ec6e526823 SHA512 3d70210080fbeb3d8689202f21b6aa25f78a4309abe4e72859ec4cb1b66a4a97db5e854b09fec1919e67947c4916a467fe86ccca9538b8e622e18598c820f87c
EBUILD gperiodic-3.0.1.ebuild 1252 BLAKE2B 852805406f9d9d35f2e70166ec0b49eb557494b86cf028147bf0b2e2fa69450eaec73b3a1e974e001c7c67ddb95b01b14fd6d4a58c9e025e7b9c7adfc4da8c25 SHA512 942525b7106bac0451a802c4a896baf83b310a52c206ee043877f255b1abfa2592ed440dd2554cae5bcdefe210a519927e3fa387d47ad96be36a6701855a9a3e
-EBUILD gperiodic-3.0.3.ebuild 883 BLAKE2B bde1cc41d3a24a30d29d4d6ec60d2f3aece89656d46becc6b42461f78eeafdb0fba5fc48af6226ec3cf547965e55372216ea274da0c00e847e04646b0b0b2b3f SHA512 fe9faaa3caf64744ad0c3813efc956e5bc2aa80b6d135bf401c067047e38b94c4b09e9c50dc22879e75e93caf8f30811c9f736158600d552914fee67fad82793
+EBUILD gperiodic-3.0.3.ebuild 882 BLAKE2B bdf7520bda855a1538578ac7cb46de5717a461a913493e8f1d1003178348f98af5c7cbff9ba12d0a662b68f23bae750f14276db9a804c4dfbfdc4af1346a7ef6 SHA512 60ff9a7394a9e3a141b9f2a214d9abc2bd5996062baa77e6f341e73a1e69a9aa9b3f5e121e0fffc751deb04d41713b3024cb5e9c219383384fd7004a4c360e6e
MISC metadata.xml 550 BLAKE2B eeb2153919fb1045284131b22a26e22feb0c4671296ed2ba223b0d5f8632d5e73070ef9bf8fbff52c228ad3c9eae23a701b5d3f15e0fb11c5cb0fc148297c1bd SHA512 a847a617e38f540ac53851c97bb30bb3b64d7ca3dac8a89b9a1e70521081cb8e2ee0183c9f9fdfd099532add7dd017cbff53d3b67c7624adc4264953b646e2e4
diff --git a/sci-chemistry/gperiodic/gperiodic-3.0.3.ebuild b/sci-chemistry/gperiodic/gperiodic-3.0.3.ebuild
index 200dad25d4c7..5f92d367c216 100644
--- a/sci-chemistry/gperiodic/gperiodic-3.0.3.ebuild
+++ b/sci-chemistry/gperiodic/gperiodic-3.0.3.ebuild
@@ -11,7 +11,7 @@ SRC_URI="https://downloads.sourceforge.net/project/${PN}/${P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
-KEYWORDS="~amd64 ~x86"
+KEYWORDS="amd64 ~x86"
IUSE="nls"
BDEPEND="
diff --git a/sci-chemistry/pymol-plugins-promol/Manifest b/sci-chemistry/pymol-plugins-promol/Manifest
index 3ab256ab2aba..7a00b495997e 100644
--- a/sci-chemistry/pymol-plugins-promol/Manifest
+++ b/sci-chemistry/pymol-plugins-promol/Manifest
@@ -1,3 +1,3 @@
DIST pymol-plugins-promol-3.0.2.zip 2219295 BLAKE2B 7e81de98ee20f6b22fabeca35b0825250c3b839b9ea51f6c0b51f15062c73810474bd377d0e39d3c2ac0d61f1b5cfb4174c53f1dfc67a11dfcd707eee417a7ed SHA512 e40e9c08e2cb1b223390d751bb1f32069924f1c23aa2b4bdafb6689254e6aa673d4412aca587792f660869f97a389db8a9183033d8b2394c998d0f911104d8d7
-EBUILD pymol-plugins-promol-3.0.2-r1.ebuild 1558 BLAKE2B f1edafaa69e64650e011441e31270feaed5e4454eff02efc5aabf7395595c37af271152501810b3c55d22bd7573ba7d54fbbc928c08d1b7be97e11762a6c131f SHA512 622299497c6d02a5d29bf30227c92dc00b1bee873b17d39c61c65f2e6b6b3aae7d902f4557cc1ccda14e95f8ba10963fbbcc7e29be6e245f1eeb8d68b08d7c5d
+EBUILD pymol-plugins-promol-3.0.2-r1.ebuild 1560 BLAKE2B c4f52140e4baa9f5a6beddfbace78ff111a3f78f8bdfd0fb220b0e17555175d48533079a798f98eda32b7880f23a37fdbacd0904a988871a1b8eb91f6e9a23fb SHA512 1b3962ba9471e9c2d6af5ebac500a317b44fe261ceeeb8ee8f156211d9aad39ce720e29be5d859a5867df5b87904b2084eb95d21d63806ba0452222ef96ac6cb
MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92
diff --git a/sci-chemistry/pymol-plugins-promol/pymol-plugins-promol-3.0.2-r1.ebuild b/sci-chemistry/pymol-plugins-promol/pymol-plugins-promol-3.0.2-r1.ebuild
index d1c826850f60..6cd842f3703d 100644
--- a/sci-chemistry/pymol-plugins-promol/pymol-plugins-promol-3.0.2-r1.ebuild
+++ b/sci-chemistry/pymol-plugins-promol/pymol-plugins-promol-3.0.2-r1.ebuild
@@ -8,8 +8,8 @@ PYTHON_COMPAT=( python2_7 )
inherit python-r1
DESCRIPTION="Fast and accurate regognition of active sites"
-HOMEPAGE="http://www.rit.edu/cos/ezviz/ProMOL_dl.html"
-SRC_URI="http://www.rit.edu/cos/ezviz/ProMOL.zip -> ${P}.zip"
+HOMEPAGE="https://www.rit.edu/cos/ezviz/ProMOL_dl.html"
+SRC_URI="https://www.rit.edu/cos/ezviz/ProMOL.zip -> ${P}.zip"
SLOT="0"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest
index fcf8a883ef5a..abcd5ed980d5 100644
--- a/sci-chemistry/votca-csg/Manifest
+++ b/sci-chemistry/votca-csg/Manifest
@@ -2,24 +2,28 @@ DIST votca-csg-1.4.1.tar.gz 347702 BLAKE2B 8c98804bafd75148fa72a9e119d4448ab9b04
DIST votca-csg-1.4.tar.gz 346527 BLAKE2B 8f0a41f9aa9fd865e2e544d5fd587d93d631edc2dabab8edfc3461582da2e0401a266a42be1c0f1e6647502cdcccee55b5bba891aa156394012b8b5e1b06f7e8 SHA512 26318644c7af2dfa1b81242b27ffac98f2180c3a1f05581bc50a00f644cec4b19ffbaf41c9d941a4714171b56ae93fe41f1a663cd0593ae2b0be2da379119d9b
DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B 2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd SHA512 3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c
DIST votca-csg-1.5.tar.gz 429164 BLAKE2B da04bd9ce8e879e9a961006256e03d160fa49fe77aa2f1eff0986b338296b04137bb087ecfabb7f2fc855b0ccd83dc4ddddfd65c43303bf5f2eef0519d27b0ec SHA512 c5a77ded3c9b2582494bea55b464689d566d4155713af823dccc6999f98438444d51fae3948144f82c2aaf3914eee740fe21e8828af689d37ab0b5ffea0605fa
+DIST votca-csg-1.6.1.tar.gz 474044 BLAKE2B 36ededfffe7af5b87b2a031f69afbb9cc727af9454466163312e48c23719f6fe3cb727de96c419ae6e7d4901576013bd76f84d8e7e394cc65df4d83bd1ce30bb SHA512 b8f0f1bf2ca57ee9e2050b4a76e1d725ccb0908314886415f36d4e4554953b4e1c93f7c05502afb77f9b7b5ef3059ebbf7f223b965ba72ae45736798fa2e6ad9
DIST votca-csg-1.6.tar.gz 464175 BLAKE2B 1871c7edc4b4e848a06049a7c687e906f166312777bdbf5c65be8efe8d5032582fdca9dc7eca453b7013901f409326b0583c79731c68fa2b4e6366f021958b0b SHA512 76cda93023d46a66ae31edcec0ece709ddc70a9be9d098721b945006c197ed3b6cbd1e643158797be518c4fe66f7b23d3e8d8735cbd9e155db3db0d79929cfbe
DIST votca-csg-1.6_rc1.tar.gz 479265 BLAKE2B c4ba3c81eefd375eea6f8c0b1cd60f9cc80898fb7e8e811ecc286f06d94bd4316edfca277649ec3f7f8b751b2f2928ca2dfe61cc3b1c3060a324ea783c62003f SHA512 6622648ddc3308ca2f8e98d6dbcd28e33a4e0fb44d96ef94ebcaa2e87e5ba3ca2ab83dcc1de4fd0803dbc20ba7192f5fdd2c935b364ed4e2122b5948c10d4936
DIST votca-csg-manual-1.4.1.pdf 1282641 BLAKE2B 370b7c8997649555fd2360b999cf381c340a74c3747afda23d0e9d346367cc6d14d4e9a0e9ac82184945427d30050dd623dd1b6d8218c6ff3d2f17331987aaae SHA512 e89f41af05eaeb9ea499e8625cc98e2632ec647ec2d8c9c9052dcd4d2935d082b29b51495514e3e06e73ce42b8cda7017fc523a013569378e2bc86bf88ad32d4
DIST votca-csg-manual-1.4.pdf 1281983 BLAKE2B 5659c2e327ba7bb00fac15adfb578288d546b509366863f593776a62dd3064662535d4fd525f1063f5ccaf47446822f13fefd7f66aa9d68cd1a4a7c99d66a790 SHA512 2e1f4a4375d83df9bd357d4d17e79d26a3a31c9177f008de86721427ffc6f43a5000ec840691108b52a8aecf962321ba6363cd975c7445d7230ee5b0b151b3fa
DIST votca-csg-manual-1.5.1.pdf 1263719 BLAKE2B 29e2ce27215787a1121e45ec1e88ce7c61ba81709a2519aa0959eede505498b9aaf4f38666bb1a4f97837c98b862e7ed02405da07294a7ec76cc80390fe72e0d SHA512 7d9fb4c635383e1b9c9547691f8729e19f273fcafc4dab2a6b438b3ce98ea05bd31887d09bc4edc86ceb0b04d71a4371aed7aadc3ba6864f7be2ef3328ede642
DIST votca-csg-manual-1.5.pdf 1273566 BLAKE2B edfa2adb942d968cf79499e89342b7aaab64edfbfb6e02f76a66201df0920a58acc17bf4e2e4846d104519df163223c27f283cc5798ec7b64d9317a7728ff8c4 SHA512 da298ab0c27000ccf7fb5793c4252c4e17a969709db2649a5acb56af6208b954312c46a2ea8399cdb879b699e72a0ded0b2fe1bcd26431c6625f36b09c0267a5
+DIST votca-csg-manual-1.6.1.pdf 1248350 BLAKE2B d4433974e38785fb968bd357ed2914515b2a22a78d6417597265bb1420b5af8b7b9849533a5faba571bcf635eff8385b244b2252bf7a20d3adb9318cd7115b03 SHA512 d627a9c7a71b8ac5e8d6ca109f0ea56978706b0dd1408aaf10b75b4b52f40b6150063248477ca2b5922f603e8d582ddd4dec3de73b3991db5fbb7bf204d347a3
DIST votca-csg-manual-1.6.pdf 1248178 BLAKE2B 5213d55787041db81fe8563febbf130db6aed9233e569039b66d69cfb173131353d45bef824640ee7b0a3fed7821ede4d5a6ce6ffc14d1548499317afdc0248a SHA512 e91d4b8397b67808c9671b9adbaad41fd9a0ede90066e220839d86f21a9bbcd4e433534faf1dfbca106d55af5a6cce0425a5bdfa3eb30ebe14469594da0129ca
DIST votca-csg-manual-1.6_rc1.pdf 1248403 BLAKE2B b702eff4a36d27d592147f115f4e9080cbf580b6401141a14865395f0cb927c35f60035f92724e71e5edadbbe3e317f93989eb6f2e0a0e7b9f685e56851546d2 SHA512 2514bd2fee4bae787a3f8c07d1f1d90061a2b503255efe0730ed164bb002c7e7ad7309ccd3b5b931994f70b7ed99afde28955d9ea1b34c86df21bfcb8bfb39bb
DIST votca-csg-tutorials-1.4.1.tar.gz 6339417 BLAKE2B e9acf8e421f6fce4d97be2d51fb559979c6fd3e6b042525cedf32cadeab1dddc5b1aaf80bbbfd387da3bce71672759c2e84d317c789f616dc71834c72a581fff SHA512 896ec9d6b2537a06301046a74c1957708eb96d9854b3ec855fe3457208c142f6fb26a03e323a2644862a1efd0030fcceb1189f73655b984462f0f7127a02de90
DIST votca-csg-tutorials-1.4.tar.gz 6348417 BLAKE2B 612fcbc4457a57be74e5306bf86d6e031ea8cd55ebe3f4d246c0876e272e6e6dd535c8dd2f24f7593cb1ef31fbc18111269d29cb69120368ddef7b1b7d25825c SHA512 f3eb28a133ebc04eed07f84d5962943cb9c547c1099638127f15e0015dfdf3f0b25aab4c97d009d6040bf1d69d408cc178edd6e803d33bf1d831e12dca0671c7
DIST votca-csg-tutorials-1.5.1.tar.gz 5949467 BLAKE2B c6de6084fbb1d2c4ac2ce75d01a1153eabc63386063de800ff2dc6b483b0568191e7f06ddcb8be46123224ccfd3a97f5fb4e7cd603c0ee99a8636d7143f6c701 SHA512 f2e709ae31d914fe12a4ce37b5019deb878b15ade14972f2a8204bec8970ba2c8946b71b94a5bfd6f7569e41173bfbc75275ea09cbee4358ad1de0e84751049c
DIST votca-csg-tutorials-1.5.tar.gz 5947774 BLAKE2B d497f1e9282c4cacc070d09d901ad8f5d3042ab3a279aa4d1c3bcd3184dc22231d1f2a75ba0ffe245e6f6300fb740e562b24c8039594ec01307491a6068b55f6 SHA512 00447380fa887178ad02cc4e1425a04fc2fd2babdd4790d387fcd4aa2734dc14dacf4b4444d420937aa0a5b53e90741b44f9a4bca31bdcdae10fbfb8323e9848
+DIST votca-csg-tutorials-1.6.1.tar.gz 5945945 BLAKE2B 18ea7e406acf70e37049b1f8676551d96b20825fba25bb9c1e674b0f94f5ee41bd74ce77619880dfb2e2f1f8fb0b40de9ce8a5e9e9d8470639af057376a19632 SHA512 82d60fcea4859e1caa6138147848427dbdb1ddcf4e0713b6f2d50cd624ceacdbce1ceb8e98fb85d079d8d9de02f501ec8c9236243fe75761e44486f27207249b
DIST votca-csg-tutorials-1.6.tar.gz 5946764 BLAKE2B 018bd00c86c0a85baf35afd2ea4206c96dee8f948dcbf331b53e6f685b69bf2c909731b15ba3261c86cee9e1960ec5cfa7b2ee0c6dcfabbbbc110789840184ad SHA512 36d3a66c19d230f2002170851345da7063aeef1f29841945b8a182f73922617823815dde5d7289fb0f80e771ac03780adacdf95af4814235edbf69a4772b3696
DIST votca-csg-tutorials-1.6_rc1.tar.gz 5946622 BLAKE2B 7bf0c7083ca7b148d16f7b77b9f785c11b16a8124a5435522e8c065859f4c2ae560c622f04021918b2683c9955d5a1b674c84fad179319f5fedb86616bbe24e7 SHA512 1c89f95944f8277a995d9d6d7dacfae2ae1be54a9a7b19c53d3464a4bdf5da0556e862033ba0a5f442b1ee5bd79bafd478655856fe266f4285c98e14512ce259
EBUILD votca-csg-1.4.1.ebuild 3204 BLAKE2B e447a6859d7ee4d722701f96634667529bd183f10dd4affeb2713023edfe52ab73988df7ef912963bd154b893bd2d401d2fd110a729040a2a2c52ec5fd44985c SHA512 df94c127269df2a2eaa9643005eeeae6925b458fbb0cb4d1661757a49e5ab4926a613c532e4df4475b34768e904d2388270c868c9ad675cd110e2b1737153e3d
EBUILD votca-csg-1.4.ebuild 3200 BLAKE2B 041deefd8fc208525c636d00665f7ea70d0efafb78fa98a3437823fb550e6c39a29d33e94860c3d8f01dbbdb050dd568c63dc1099d4da620f9044545850f40d1 SHA512 939608311d071b6abf8cc26dd73c9713c41476772bb37b41fc77fb3a02672989664b8a06e5465b2825285c3365ad3d70879e5c24a1c698cbb3c8ab6d2341fe31
EBUILD votca-csg-1.5.1.ebuild 2552 BLAKE2B a64b31b3b6a9297b6ead93e9f5605ace929fecf98ee377eff17a0b529b9176fe5d251e9efb5dada1c7d29b144b7e89dcd95ff3c6921b7584f225f842bc93f94b SHA512 3d96fac05c344f0986597ec6ce50f07a19327113d3b02238df60ce28ab2788f91a224f9c70ecdaaf6cfe6206f00f8e86e4ad2dde1c68c5c0a32f5d20eee658cd
EBUILD votca-csg-1.5.ebuild 2550 BLAKE2B 7fb2a4280fca23370169fbf04c3b9251065f06d56d7df29a26f3bbaf642e3296e400a23cc3c7524a830cee0dd881e598569c82bbcfacbec35198dd564d379828 SHA512 9516699dbfab66505053d701a31440ce0ca16484b6b0f60b072f6d5a54740449c90ea96461e08d598933dd7f7803278dbc4e19df381f5b57c541b9d3de90c9d5
+EBUILD votca-csg-1.6.1.ebuild 2369 BLAKE2B a6d8e7e9049f55f2e916614586bb6ec68e1223ea25cff260ee884f94f137afb798c51983ab7df7b54e918fc1b9eb4c315e380b1a4649e361b999753d11e5c210 SHA512 f72714b948a8c0ca93061aeeb9ff3bc358d8b0c0b5e369dbb732569ad302edf9198753e8e0921fae9cab5deb6ef3e5111d921c3fd4c0a4a8ec3deb41afb43825
EBUILD votca-csg-1.6.ebuild 2365 BLAKE2B 585240513e8b06c9c35aab0dfb75962c59e2d42853837eaa67d86c728c5cd3d8485061a4974c71898caba41d6d44a1cf93ba27c16824427b767f965e8f9a07ab SHA512 38b6ff068367ac79717f9a364b2b6a83824cec0c804af934f15d3f19ca1cf50eddd8b94cc64c0b035724a6abca2f32a40ec598396c646f5a31c0ea0748bff976
EBUILD votca-csg-1.6_rc1.ebuild 2358 BLAKE2B 5124239dade6f735c1f1da0071e30bf245728431a46f4361271d1eea9962249ff1bcc621db193f69ae04b61343aaafa01c64cfb4a131c6ce83b9135c5a7f39c5 SHA512 a8f2298c212299689a96d4a15e73b851725f45c6ad9fc20610a155625c5d58d1d462ba7c01fdd206fba8b43fe032b65f992ee58107e1245565cb482f8507d6ac
EBUILD votca-csg-9999.ebuild 2358 BLAKE2B 5124239dade6f735c1f1da0071e30bf245728431a46f4361271d1eea9962249ff1bcc621db193f69ae04b61343aaafa01c64cfb4a131c6ce83b9135c5a7f39c5 SHA512 a8f2298c212299689a96d4a15e73b851725f45c6ad9fc20610a155625c5d58d1d462ba7c01fdd206fba8b43fe032b65f992ee58107e1245565cb482f8507d6ac
diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild
new file mode 100644
index 000000000000..39920bd3c0a6
--- /dev/null
+++ b/sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild
@@ -0,0 +1,92 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+inherit bash-completion-r1 cmake-utils multilib
+
+IUSE="doc examples extras +gromacs hdf5"
+PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )"
+if [ "${PV}" != "9999" ]; then
+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz
+ doc? ( https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf )
+ examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ S="${WORKDIR}/${P#votca-}"
+else
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git"
+ KEYWORDS="~amd64 ~x86"
+ PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )"
+fi
+
+DESCRIPTION="Votca coarse-graining engine"
+HOMEPAGE="http://www.votca.org"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+
+RDEPEND="
+ ~sci-libs/votca-tools-${PV}
+ >=dev-cpp/eigen-3.3
+ gromacs? ( sci-chemistry/gromacs:= )
+ hdf5? ( sci-libs/hdf5 )
+ dev-lang/perl
+ app-shells/bash:*"
+
+DEPEND="${RDEPEND}
+ >=app-text/txt2tags-2.5
+ virtual/pkgconfig"
+
+DOCS=( README.md NOTICE CHANGELOG.md )
+
+src_unpack() {
+ if [[ ${PV} != *9999 ]]; then
+ default
+ else
+ git-r3_src_unpack
+ if use examples; then
+ EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git"
+ EGIT_BRANCH="master"
+ EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\
+ git-r3_src_unpack
+ fi
+ fi
+}
+
+src_configure() {
+ mycmakeargs=(
+ -DWITH_GMX=$(usex gromacs)
+ -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5')
+ -DWITH_RC_FILES=OFF
+ )
+ cmake-utils_src_configure
+}
+
+src_install() {
+ cmake-utils_src_install
+ newbashcomp "${ED}"/usr/share/votca/rc/csg-completion.bash csg_call
+ for i in "${ED}"/usr/bin/csg_*; do
+ [[ ${i} = *csg_call ]] && continue
+ bashcomp_alias csg_call "${i##*/}"
+ done
+ if use doc; then
+ [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf"
+ fi
+ if use examples; then
+ insinto "/usr/share/doc/${PF}/tutorials"
+ docompress -x "/usr/share/doc/${PF}/tutorials"
+ rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake*
+ doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/*
+ fi
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w"
+ einfo
+}
diff --git a/sci-chemistry/votca-csgapps/Manifest b/sci-chemistry/votca-csgapps/Manifest
index 0725ec6c70d5..26ba926b94b7 100644
--- a/sci-chemistry/votca-csgapps/Manifest
+++ b/sci-chemistry/votca-csgapps/Manifest
@@ -2,12 +2,14 @@ DIST votca-csgapps-1.4.1.tar.gz 21066 BLAKE2B 8e1d25957b7c62d2182872de4d0c50c90f
DIST votca-csgapps-1.4.tar.gz 21072 BLAKE2B 30c2f6692544741bfbec09efea2f68ae48cd4716e61e40d3da12a17ad941f2947cc6a8477229b80e420e217a95adff4152a07215e2e913e71736b61ba1ac226a SHA512 325c99606f17d7bb00e2cc3b1545f31dd4cf1fbc0d216f2da2c48e06b2011c9f99096643a6c6efd794a169de056f803f791c156afec4a73e41c58bc4ca1055f9
DIST votca-csgapps-1.5.1.tar.gz 26006 BLAKE2B 8651978c15087fc7332fe229cfc33d8c4257faf46d72f7ac5fbaaf5f31133c4df3d97cae2b18730b5700e742c27e3db39696fdfe910ed884952ba0f832220c3d SHA512 4f83a46f16eb0a4cb9acc6c0d9523fa746dcf670107355c95fc02daa6ca91fb4f8d5e48bc920d8c13a9445390a25415f7217979903ea86f890df1d4704944c28
DIST votca-csgapps-1.5.tar.gz 25975 BLAKE2B 185e759d658c6f763da2d26770766ec8ee05017b4c6a67e13915de04fbf2ecf268f2f800c5e18ef0f38c615340b0db163e886dc98a9395a69359f94dc8773f60 SHA512 20dda9d07ef2f33c9decff2766ece8f24cf2562993b4dfb7dd637d84325b835a6ecd30d34c5cfb9c428dbf72c2b5dfe9fd49d266182704b981db151c3c4ea2e4
+DIST votca-csgapps-1.6.1.tar.gz 20128 BLAKE2B 509f684b84e7ebb718fbcf5b48adc732dc8c6b9f6478269e243dda3c980a5d91a46208863ac6227a07d90f6e2ea4e5cf2b50a7b34b6dbe2567d9a95ede4ee1de SHA512 06e396c20990f7bb22ae8c888a36585b40a61280aa53a521c01128bbaadc1f449f85d4f41380ee3ce290defb64eca285be7dde1cd888f4cb69805695511a5b90
DIST votca-csgapps-1.6.tar.gz 20130 BLAKE2B 0c34fba42a70f756043aae89f51b94cc0a9c9a85680ed78c56b4c05f834d94c74aff59e4adf6155e5fab81d057da58ec420d843532af57beeaa6e81f82432d92 SHA512 5a85abaf6b09a225604f33f2e0cfb774525159e9bce89efd7ebfc0c9c37342e472503ff51c3065be2a4b87e95671f55164c630477f404f94b0510a83e262352f
DIST votca-csgapps-1.6_rc1.tar.gz 20138 BLAKE2B 9374911f761fd78f01721e8e10f3b9c14f2ba894735735e4d09f5e29eb1d1b69f4fa081699d7a93abfad2ebe55d6439edbb6db547618e6d2cfbaf7bbc8a79ca8 SHA512 153bd6e537175c9908739c60ce80830ebf57c0686f11b21fc541995cb5355d4a3f7f7ee7d1707bb85f5fc859bf260a3a167450175ffe8feb92044e8018be996b
EBUILD votca-csgapps-1.4.1.ebuild 653 BLAKE2B 208ae3538fcf42296a4a1077d222a9d6f752648834dc8f74941546fa2bdffb6fd9ea60ad31d124b8de52c3f59c089f48d4395b5166989fec19191076570e1bf0 SHA512 13ab1d118aea4f16664566f4e13965cc46a9e67e37157e23ad8c76a68d5db89b8db5b95104c23cf9cc16f78315dc9f632708cbd3920a545d964e2226dc6f9ff2
EBUILD votca-csgapps-1.4.ebuild 649 BLAKE2B 4b219583f5d5a1f7f4ed7635b4fedce2619d6a0b13bcab7bde2f88cf177a9478fefcb71974deacc09eded4f278ae27c95bd2aa387c79ad4ae2268c2ff0f40a94 SHA512 b6400f2a28ce0c2953495c00aeaab0bfd15c52df28a5e6575b0f568c9a777678495b591cbce58fa61e1d54149fa3f684c6f9f99aaa82127e2eedcc67f6259ed8
EBUILD votca-csgapps-1.5.1.ebuild 668 BLAKE2B c1a715dcf42281b13819c20b51fc0c16f0435059e4f1dcfe83babd15eda4dc179d50ffe4a6252cd3155aec9545f2e5fc3bba728e2a6f739097422f5c6d94f247 SHA512 23d3ed6be1ea715a367f6203c9431598068ec7b1494865e594a67bfc55bc0f65e86914ad04cff7eff5a9e83fb79cae46fb4abd7997752a1a72dd90a68e173f97
EBUILD votca-csgapps-1.5.ebuild 666 BLAKE2B de904c4c69f9b223466bc97f646a861a5e1ff64d061389a1a1ac845e7351f9626226354c7c080d7a52ef5db2eddf397b2bf48ce042e168a881cb12da14338333 SHA512 e768e56d45d9e8b4ce2c01358b9de4b876a7a4149947445d388a4a1cffb6ac6882b17cdd794b17eee7abdb75d34c4e108f399c28fbca5ae0b11bbe5d57e07202
+EBUILD votca-csgapps-1.6.1.ebuild 676 BLAKE2B 7e91e674c0e4602b174877aac82562e75f9bcc5a8a5291910f5f801bb8335acc43417594c9a616ebe6fadd72ca165860a2bc3e2b4508e6d8546e1c59542c4cc1 SHA512 4b23fda3ec2857c773ffe2947ede48903f88a664c4e41f07637cbd2859b05c91108295791b53a02a33eab4777c53f89e30fb378721eec402e4abead2c2e8def4
EBUILD votca-csgapps-1.6.ebuild 672 BLAKE2B 2737abc16e6a06485fb9e542bd620f3ee1c9b63f4fde290558e0674a4cd2488162d917f8654c108080c9370c49fe027e60fe417d33bf6a6be5d14ebd667dfd4f SHA512 af87122c3f45b6003b314373e2a87035a37f6540221c01f31b40573a9ed9973bb9124f35342e601c9c0667db9ee60042b7aca5dbf495079518d5cf62961da852
EBUILD votca-csgapps-1.6_rc1.ebuild 665 BLAKE2B 893814bcc1e8413a5c6454c32092aa51e3633f2917aedf47bc928c603554acf064a299208e9a1c8cf58437cebdee00f6d07fd30424540081ef3d0c7f2636d8d0 SHA512 a32d204985dd20ef8389cbfd44f6e45d44542480d0593ddaa17d5976e193db687f26d1e818251325c939552c7e9a1c1f95ec20ca952834cc4a4ca6c4836ea2b7
EBUILD votca-csgapps-9999.ebuild 665 BLAKE2B 893814bcc1e8413a5c6454c32092aa51e3633f2917aedf47bc928c603554acf064a299208e9a1c8cf58437cebdee00f6d07fd30424540081ef3d0c7f2636d8d0 SHA512 a32d204985dd20ef8389cbfd44f6e45d44542480d0593ddaa17d5976e193db687f26d1e818251325c939552c7e9a1c1f95ec20ca952834cc4a4ca6c4836ea2b7
diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild
new file mode 100644
index 000000000000..cc4f98d6f30b
--- /dev/null
+++ b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild
@@ -0,0 +1,33 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+inherit cmake-utils
+
+if [ "${PV}" != "9999" ]; then
+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ S="${WORKDIR}/${P#votca-}"
+else
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git"
+ KEYWORDS="~amd64 ~x86"
+fi
+
+DESCRIPTION="Extra applications for votca-csg"
+HOMEPAGE="http://www.votca.org"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE=""
+
+RDEPEND="
+ >=dev-cpp/eigen-3.3
+ ~sci-chemistry/${PN%apps}-${PV}"
+
+DEPEND="${RDEPEND}"
+
+DOCS=( README.md )
diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest
index b03751e4b961..6a89b861c3c8 100644
--- a/sci-chemistry/votca-xtp/Manifest
+++ b/sci-chemistry/votca-xtp/Manifest
@@ -2,6 +2,7 @@ DIST votca-xtp-1.4.1.tar.gz 15214413 BLAKE2B 0f6e67179e2ee1fa8ab79ca0c2d810f9867
DIST votca-xtp-1.4.tar.gz 15214266 BLAKE2B 435ba1603495d904ccce20b4fa665d3a1c62fc04005ea89cf83b431240fb78f8a44f09ad619af331802e43ca3d05b20a4c6bbbb0c75360940d4f786c0030fd7a SHA512 ffc32260331862393e199f7ab643b1008ee4f800cd017f175550a079afaa20e5c929cb8599bc0c2a2328253051895de7b979f5fec044243abc680a0dc87a69b9
DIST votca-xtp-1.5.1.tar.gz 14634849 BLAKE2B 84ee9fc531a530ba276a6fd3eccc78dd25c27346db76871f33fe307dde451956bf091b636dd5594bf3b8b24a727fe7e5a730fb85cd2cbb0e5605705996e69bd2 SHA512 8fb6891e84d4d685e26287344554b705c607e7cb9f497c00ac9cd8328e50210c56706abdb7004b83d4addbfbc7b35c3526b4feabf75f681362b3b7a39c54b668
DIST votca-xtp-1.5.tar.gz 14637712 BLAKE2B af04de706f0d100968928459a03b6a94a94a211b3f5bd056d123756d40760fb0ada70add429ed5b86e211dbdd3b91aa4cf12e51a260638766d04158e7b5a1201 SHA512 693f34004749edfbabcd0a19dc23b3de3c09858c7c0dfe1e420b92632397971e3687489c1074a489d4d2fd337ddc5749c419869db104c65736e7c01bf12cd140
+DIST votca-xtp-1.6.1.tar.gz 1405246 BLAKE2B b32db1e50ebfd79683ea2bf990293d9dfcf7703f3d95467a3fac5f98ec98e9bf1d29bab079e8f328fab8998144af186e7f47e99d9312763f7d73a1ae364ce58a SHA512 8b1bb235e70c239d0c57ceac65cd384841ea136d61f28bc72cbe2cfb47f9d776d42e06180acd1d8da93d0a0586e0bc3884ed82830d0f31c498ce225ca79a45aa
DIST votca-xtp-1.6.tar.gz 1404955 BLAKE2B 1599281ea1cd6b5a93b1d91f69a793af7bb9cd2fbf70157e5d40a5bfc72f973f3d97338f92157c2c482ad041f8afda298282b1f83dda66d0bb189bdc07bb5a23 SHA512 cb99c31fe7f1af53b8ccf50cc9cc304ed5c5b5d1a165e1a72a456c0bbf5ac8bb9263c9eff829acc74be348192afbf80fd4d80a2c20d1dd5d7f909b1b50368670
DIST votca-xtp-1.6_rc1.tar.gz 13586771 BLAKE2B d5b72a7389b77df0570eac0021870bba3fa66a89b3a2df1e08632b1c1827884d101ef8d972762dae35e44e53e7a9fe9278d3204eec09c35d091ab3427b055be4 SHA512 0b54eddcf944967b1d41f75f4887eba9edc3be18b94d319e93e795a24f58a2877d7f60afd806290eacb41d329d1b1206ebaab83874d6be2d5b026f06dbc19dfd
DIST votca-xtp-manual-1.4.1.pdf 1066873 BLAKE2B 8cbd4b55b013794a19a8b5867b929b8e2d9084e6780d777b2a2bbaea23006f4f4ec5b26bd4a07c59e1c6726f23471eb1756b668636e0c4e656a0807e64197586 SHA512 fdf1147f24785524f5e96020fcd29c32bbeef520eebf6afba32b59d7e777d586c452919478d2734c3f021e558b1147b945cdbc0833402be2b16e5af3a8e37f5f
@@ -12,6 +13,7 @@ EBUILD votca-xtp-1.4.1.ebuild 1622 BLAKE2B 1358e16a21b653584fefdf8eb673744f18ba7
EBUILD votca-xtp-1.4.ebuild 1618 BLAKE2B bab1c2d4cd442bc2208f87ff16ed1218aaf6c34ccb229c63d9de14086055684ee9440102b0c9a5bf807ddad69d22ee1b680120f493f18891e8719211509a418f SHA512 affe412a6c4cb8139530d559ae4c12d519eb6b9190075743ed7806c2975a4647f48282893d71b4bef3477b0d35ee07815e416c33095be819967d235c9623a48a
EBUILD votca-xtp-1.5.1.ebuild 1628 BLAKE2B a89ea389a31edce013d2e41eca4a0a818fd3f0b359aa9e770ecf3e04089b99063106d8b20562b36ad83fdc318c6cc6ffc119a589d995db08175e704ff7ce53f1 SHA512 a90fd6523ef6d42af25b99509718511cf0303bef2e0b083b6e4e8cbb5160bf1cc802b0e60a682c7bd1301f5b17cbaf78c2d2e593d2528f9c24b5f6c3c1aa984f
EBUILD votca-xtp-1.5.ebuild 1626 BLAKE2B 15b3e63d11348ac376e15769b6106c98144a0ce88bbc7149fcf98bede2f7a29ee4ea066cea67fadf14e60e6dbc6745de4bffa4cf11d6ce6f08d5631fad0af347 SHA512 ac39f8f262a40683ff267dd13ea17cdfb9bd3ba62d698e8e20c98ee1adce53bd002a10dd7805a4ba419ca80a4a3ffd0b3b5c8f9e4b040182eaa6ffd069df114e
+EBUILD votca-xtp-1.6.1.ebuild 992 BLAKE2B ec7860af210b86c57cecb6adb3ef42130f208a60f23f65dadde98ac751cf8dc0981861b5126c2f97b6e7e20e4d6ab78a847c4e644d21fdf741b91784ce85bdfe SHA512 7174ba2da6f0bc38e2532c525a98c2d4e5641bd6879b9a1d5ed133fbfcd0523420398793edb6a86d033b759e8e6fb5550312608639517c50c4d17876ef9a9cfc
EBUILD votca-xtp-1.6.ebuild 988 BLAKE2B a0829b922e31fe3e14c60422ebaff3e26da19320b78d22fcdf22de032d9983a98f019a2469ffe9807cc34585fc8655c5a5cc7f80e81c8547e95aa9e569e240c5 SHA512 7643ea1c4b2c123169f8c3a06c4d04e5bccb9070afe70bcbe8c935f956b78ce29c83223e9c54df8915164f0107ffec50b50a639ba0c4407f9cb3e70ee5f93023
EBUILD votca-xtp-1.6_rc1.ebuild 981 BLAKE2B 029f87e4554e2d353b5ce31f3901b5d18ae56ae4165878066e93d2de5f4ff4c65b9532be077127ec4e605b22ff0c765b841a6f9978cc7e503e50554b0e7ff7b7 SHA512 e2d58abe5b8f8d6b3e2a696a0b0a0f7b27f0af4a88d00d2fc59053dbccd9b7fa840579a5bc3b854bcdf3ce9266d10bacd962d4bada0b5ed325e0074c2d873d3d
EBUILD votca-xtp-9999.ebuild 981 BLAKE2B 029f87e4554e2d353b5ce31f3901b5d18ae56ae4165878066e93d2de5f4ff4c65b9532be077127ec4e605b22ff0c765b841a6f9978cc7e503e50554b0e7ff7b7 SHA512 e2d58abe5b8f8d6b3e2a696a0b0a0f7b27f0af4a88d00d2fc59053dbccd9b7fa840579a5bc3b854bcdf3ce9266d10bacd962d4bada0b5ed325e0074c2d873d3d
diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild
new file mode 100644
index 000000000000..f617c9003e65
--- /dev/null
+++ b/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild
@@ -0,0 +1,45 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+inherit bash-completion-r1 cmake-utils multilib
+
+IUSE=""
+if [ "${PV}" != "9999" ]; then
+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos"
+ S="${WORKDIR}/${P#votca-}"
+else
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/${PN/-//}.git"
+ KEYWORDS="~amd64 ~x86"
+fi
+
+DESCRIPTION="Votca excitation and charge properties module"
+HOMEPAGE="http://www.votca.org"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+
+RDEPEND="
+ ~sci-libs/votca-tools-${PV}
+ >=dev-cpp/eigen-3.3
+ sci-libs/hdf5[cxx]
+ ~sci-chemistry/votca-csg-${PV}
+ sci-libs/libxc"
+
+DEPEND="${RDEPEND}
+ virtual/pkgconfig"
+
+DOCS=( README.md NOTICE CHANGELOG.md )
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617"
+ einfo
+}
generated by cgit v1.2.3 (git 2.25.1) at 2024-11-08 02:22:59 +0000