[gentoo-commits] proj/sci:master commit in: sci-libs/rdkit/files/, sci-libs/rdkit/

2022-01-24 Thread Andrew Ammerlaan 
commit: ebaf7f2da08feb9b7e0460f6ef8fadec55d91c12
Author: Andrew Ammerlaan  gentoo  org>
AuthorDate: Mon Jan 24 18:42:28 2022 +
Commit: Andrew Ammerlaan  gentoo  org>
CommitDate: Mon Jan 24 18:42:28 2022 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=ebaf7f2d

sci-libs/rdkit: bump to 2021.09.4

Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Andrew Ammerlaan  gentoo.org>

 .../rdkit-2020.03.6-no_dynamic_checking.patch  | 59 --
 .../files/rdkit-2021.09.4-find-rapidjson.patch | 22 
 sci-libs/rdkit/rdkit-2020.03.6.ebuild  | 57 -
 sci-libs/rdkit/rdkit-2021.09.4.ebuild  | 58 +
 4 files changed, 80 insertions(+), 116 deletions(-)

diff --git a/sci-libs/rdkit/files/rdkit-2020.03.6-no_dynamic_checking.patch 
b/sci-libs/rdkit/files/rdkit-2020.03.6-no_dynamic_checking.patch
deleted file mode 100644
index 2f7656245..0
--- a/sci-libs/rdkit/files/rdkit-2020.03.6-no_dynamic_checking.patch
+++ /dev/null
@@ -1,59 +0,0 @@
 a/External/catch/CMakeLists.txt2020-09-28 05:09:11.307595711 -0400
-+++ b/External/catch/CMakeLists.txt2020-09-28 05:10:35.188570785 -0400
-@@ -13,9 +13,6 @@
-   message("-- Catch not found in ${CATCH_DIR}")
-   include(RDKitUtils)
-   set(RELEASE_NO "2.1.2")
--  
downloadAndCheckMD5("https://github.com/catchorg/Catch2/archive/v${RELEASE_NO}.tar.gz;
--"${CMAKE_CURRENT_SOURCE_DIR}/master.tar.gz"
--"4c5740d7446d9b4e3735dcff0951aaca")
-   execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
- ${CMAKE_CURRENT_SOURCE_DIR}/master.tar.gz
- WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
 a/External/CoordGen/CMakeLists.txt 2020-09-28 05:13:38.351584109 -0400
-+++ b/External/CoordGen/CMakeLists.txt 2020-09-28 05:15:49.396007762 -0400
-@@ -38,9 +38,6 @@
-
- if(NOT EXISTS "${MAEPARSER_DIR}/MaeParser.hpp")
- set(RELEASE_NO "1.2.3")
--set(MD5 "4ead02a0bf87110d1caae79ab42a5747")
--
downloadAndCheckMD5("https://github.com/schrodinger/maeparser/archive/v${RELEASE_NO}.tar.gz;
--  "${CMAKE_CURRENT_SOURCE_DIR}/maeparser-v${RELEASE_NO}.tar.gz" 
${MD5})
- execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
-   ${CMAKE_CURRENT_SOURCE_DIR}/maeparser-v${RELEASE_NO}.tar.gz
-   WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
 a/External/CoordGen/CMakeLists.txt 2020-09-28 05:31:21.353305949 -0400
-+++ b/External/CoordGen/CMakeLists.txt 2020-09-28 05:32:04.187783628 
-0400
-@@ -67,9 +67,6 @@
-
- if(NOT EXISTS "${COORDGEN_DIR}/sketcherMinimizer.h")
- set(RELEASE_NO "1.4.0")
--set(MD5 "5f663c8809b494f0548dd504c011c739")
--
downloadAndCheckMD5("https://github.com/schrodinger/coordgenlibs/archive/v${RELEASE_NO}.tar.gz;
--  "${CMAKE_CURRENT_SOURCE_DIR}/coordgenlibs-${RELEASE_NO}.tar.gz" 
${MD5})
- execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
-   ${CMAKE_CURRENT_SOURCE_DIR}/coordgenlibs-${RELEASE_NO}.tar.gz
-   WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
 a/External/RingFamilies/CMakeLists.txt 2020-09-18 11:18:37.0 
-0400
-+++ b/External/RingFamilies/CMakeLists.txt 2020-09-28 05:35:04.427800305 
-0400
-@@ -8,9 +8,6 @@
-
- if(NOT EXISTS "${URFLIB_DIR}/RingDecomposerLib.h")
- set(RELEASE_NO "1.1.3_rdkit")
--set(MD5 "e9a0bcdda8b921a35e812b9888a9a874")
--
downloadAndCheckMD5("https://github.com/rareylab/RingDecomposerLib/archive/v${RELEASE_NO}.tar.gz;
--
"${CMAKE_CURRENT_SOURCE_DIR}/RingDecomposerLib-v${RELEASE_NO}.tar.gz" ${MD5})
- execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
- ${CMAKE_CURRENT_SOURCE_DIR}/RingDecomposerLib-v${RELEASE_NO}.tar.gz
- WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
 a/Code/GraphMol/MolInterchange/CMakeLists.txt  2020-09-18 
11:18:37.0 -0400
-+++ b/Code/GraphMol/MolInterchange/CMakeLists.txt  2020-09-28 
05:36:47.759960868 -0400
-@@ -1,8 +1,5 @@
-
- if(NOT EXISTS "${CMAKE_SOURCE_DIR}/External/rapidjson-1.1.0")
--
downloadAndCheckMD5("https://github.com/Tencent/rapidjson/archive/v1.1.0.tar.gz;
--  "${CMAKE_SOURCE_DIR}/External/rapidjson-1.1.0.tar.gz"
--  "badd12c511e081fec6c89c43a7027bce")
- execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
-   ${CMAKE_SOURCE_DIR}/External/rapidjson-1.1.0.tar.gz
-   WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}/External)

diff --git a/sci-libs/rdkit/files/rdkit-2021.09.4-find-rapidjson.patch 
b/sci-libs/rdkit/files/rdkit-2021.09.4-find-rapidjson.patch
new file mode 100644
index 0..94a209e0f
--- /dev/null
+++ b/sci-libs/rdkit/files/rdkit-2021.09.4-find-rapidjson.patch
@@ -0,0 +1,22 @@
+diff --git a/Code/GraphMol/MolInterchange/CMakeLists.txt 
b/Code/GraphMol/MolInterchange/CMakeLists.txt
+index 8027444..6a8c715 100644
+--- a/Code/GraphMol/MolInterchange/CMakeLists.txt
 b/Code/GraphMol/MolInterchange/CMakeLists.txt

[gentoo-commits] proj/sci:master commit in: sci-libs/rdkit/

2021-08-31 Thread Andrew Ammerlaan 
commit: 5e23a0b948d3023eb7fa15dc8859502939ca108f
Author: Andrew Ammerlaan  gentoo  org>
AuthorDate: Tue Aug 31 09:43:21 2021 +
Commit: Andrew Ammerlaan  gentoo  org>
CommitDate: Tue Aug 31 09:43:21 2021 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=5e23a0b9

sci-libs/rdkit: fix BadDefaultUseFlags

Package-Manager: Portage-3.0.22, Repoman-3.0.3
Signed-off-by: Andrew Ammerlaan  gentoo.org>

 sci-libs/rdkit/rdkit-2020.03.6.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-libs/rdkit/rdkit-2020.03.6.ebuild 
b/sci-libs/rdkit/rdkit-2020.03.6.ebuild
index c38bac753..b73817270 100644
--- a/sci-libs/rdkit/rdkit-2020.03.6.ebuild
+++ b/sci-libs/rdkit/rdkit-2020.03.6.ebuild
@@ -22,7 +22,7 @@ LICENSE="BSD"
 SLOT="0"
 KEYWORDS=""
 # build configuration issues https://github.com/rdkit/rdkit/issues/3444
-IUSE="+python -static-libs"
+IUSE="+python static-libs"
 REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
 
 RDEPEND="dev-libs/boost

[gentoo-commits] proj/sci:master commit in: sci-libs/rdkit/

2021-01-19 Thread Andrew Ammerlaan 
commit: b119d7b5886177b78b9cb720aee6634196926c08
Author: Andrew Ammerlaan  riseup  net>
AuthorDate: Tue Jan 19 16:48:15 2021 +
Commit: Andrew Ammerlaan  riseup  net>
CommitDate: Tue Jan 19 16:48:15 2021 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=b119d7b5

sci-libs/rdkit: add ${PYTHON_DEPS}

Package-Manager: Portage-3.0.13, Repoman-3.0.2
Signed-off-by: Andrew Ammerlaan  riseup.net>

 sci-libs/rdkit/rdkit-2020.03.6.ebuild | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/sci-libs/rdkit/rdkit-2020.03.6.ebuild 
b/sci-libs/rdkit/rdkit-2020.03.6.ebuild
index 2c8ef5817..0c715da7d 100644
--- a/sci-libs/rdkit/rdkit-2020.03.6.ebuild
+++ b/sci-libs/rdkit/rdkit-2020.03.6.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2020 Gentoo Authors
+# Copyright 1999-2021 Gentoo Authors
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=7
@@ -29,6 +29,7 @@ RDEPEND="dev-libs/boost
python? (
dev-libs/boost[python,${PYTHON_USEDEP}]
dev-python/numpy[${PYTHON_USEDEP}]
+   ${PYTHON_DEPS}
)
>=dev-db/sqlite-3"
 DEPEND="${RDEPEND}"

[gentoo-commits] proj/sci:master commit in: sci-libs/rdkit/files/, sci-libs/rdkit/

2020-09-28 Thread Horea Christian 
commit: 635d1bb2e9b12adaeac34520574f708976eeaf37
Author: Horea Christian  chymera  eu>
AuthorDate: Mon Sep 28 09:59:00 2020 +
Commit: Horea Christian  gmail  com>
CommitDate: Mon Sep 28 09:59:00 2020 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=635d1bb2

sci-libs/rdkit: version and PYTHON_COMPAT update

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

 .../rdkit-2020.03.6-no_dynamic_checking.patch  | 59 ++
 sci-libs/rdkit/rdkit-2015.03.1.ebuild  | 40 ---
 sci-libs/rdkit/rdkit-2020.03.6.ebuild  | 56 
 sci-libs/rdkit/rdkit-.ebuild   | 39 --
 4 files changed, 115 insertions(+), 79 deletions(-)

diff --git a/sci-libs/rdkit/files/rdkit-2020.03.6-no_dynamic_checking.patch 
b/sci-libs/rdkit/files/rdkit-2020.03.6-no_dynamic_checking.patch
new file mode 100644
index 0..2f7656245
--- /dev/null
+++ b/sci-libs/rdkit/files/rdkit-2020.03.6-no_dynamic_checking.patch
@@ -0,0 +1,59 @@
+--- a/External/catch/CMakeLists.txt2020-09-28 05:09:11.307595711 -0400
 b/External/catch/CMakeLists.txt2020-09-28 05:10:35.188570785 -0400
+@@ -13,9 +13,6 @@
+   message("-- Catch not found in ${CATCH_DIR}")
+   include(RDKitUtils)
+   set(RELEASE_NO "2.1.2")
+-  
downloadAndCheckMD5("https://github.com/catchorg/Catch2/archive/v${RELEASE_NO}.tar.gz;
+-"${CMAKE_CURRENT_SOURCE_DIR}/master.tar.gz"
+-"4c5740d7446d9b4e3735dcff0951aaca")
+   execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
+ ${CMAKE_CURRENT_SOURCE_DIR}/master.tar.gz
+ WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
+--- a/External/CoordGen/CMakeLists.txt 2020-09-28 05:13:38.351584109 -0400
 b/External/CoordGen/CMakeLists.txt 2020-09-28 05:15:49.396007762 -0400
+@@ -38,9 +38,6 @@
+
+ if(NOT EXISTS "${MAEPARSER_DIR}/MaeParser.hpp")
+ set(RELEASE_NO "1.2.3")
+-set(MD5 "4ead02a0bf87110d1caae79ab42a5747")
+-
downloadAndCheckMD5("https://github.com/schrodinger/maeparser/archive/v${RELEASE_NO}.tar.gz;
+-  "${CMAKE_CURRENT_SOURCE_DIR}/maeparser-v${RELEASE_NO}.tar.gz" 
${MD5})
+ execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
+   ${CMAKE_CURRENT_SOURCE_DIR}/maeparser-v${RELEASE_NO}.tar.gz
+   WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
+--- a/External/CoordGen/CMakeLists.txt 2020-09-28 05:31:21.353305949 -0400
 b/External/CoordGen/CMakeLists.txt 2020-09-28 05:32:04.187783628 
-0400
+@@ -67,9 +67,6 @@
+
+ if(NOT EXISTS "${COORDGEN_DIR}/sketcherMinimizer.h")
+ set(RELEASE_NO "1.4.0")
+-set(MD5 "5f663c8809b494f0548dd504c011c739")
+-
downloadAndCheckMD5("https://github.com/schrodinger/coordgenlibs/archive/v${RELEASE_NO}.tar.gz;
+-  "${CMAKE_CURRENT_SOURCE_DIR}/coordgenlibs-${RELEASE_NO}.tar.gz" 
${MD5})
+ execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
+   ${CMAKE_CURRENT_SOURCE_DIR}/coordgenlibs-${RELEASE_NO}.tar.gz
+   WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
+--- a/External/RingFamilies/CMakeLists.txt 2020-09-18 11:18:37.0 
-0400
 b/External/RingFamilies/CMakeLists.txt 2020-09-28 05:35:04.427800305 
-0400
+@@ -8,9 +8,6 @@
+
+ if(NOT EXISTS "${URFLIB_DIR}/RingDecomposerLib.h")
+ set(RELEASE_NO "1.1.3_rdkit")
+-set(MD5 "e9a0bcdda8b921a35e812b9888a9a874")
+-
downloadAndCheckMD5("https://github.com/rareylab/RingDecomposerLib/archive/v${RELEASE_NO}.tar.gz;
+-
"${CMAKE_CURRENT_SOURCE_DIR}/RingDecomposerLib-v${RELEASE_NO}.tar.gz" ${MD5})
+ execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
+ ${CMAKE_CURRENT_SOURCE_DIR}/RingDecomposerLib-v${RELEASE_NO}.tar.gz
+ WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
+--- a/Code/GraphMol/MolInterchange/CMakeLists.txt  2020-09-18 
11:18:37.0 -0400
 b/Code/GraphMol/MolInterchange/CMakeLists.txt  2020-09-28 
05:36:47.759960868 -0400
+@@ -1,8 +1,5 @@
+
+ if(NOT EXISTS "${CMAKE_SOURCE_DIR}/External/rapidjson-1.1.0")
+-
downloadAndCheckMD5("https://github.com/Tencent/rapidjson/archive/v1.1.0.tar.gz;
+-  "${CMAKE_SOURCE_DIR}/External/rapidjson-1.1.0.tar.gz"
+-  "badd12c511e081fec6c89c43a7027bce")
+ execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
+   ${CMAKE_SOURCE_DIR}/External/rapidjson-1.1.0.tar.gz
+   WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}/External)

diff --git a/sci-libs/rdkit/rdkit-2015.03.1.ebuild 
b/sci-libs/rdkit/rdkit-2015.03.1.ebuild
deleted file mode 100644
index 818630481..0
--- a/sci-libs/rdkit/rdkit-2015.03.1.ebuild
+++ /dev/null
@@ -1,40 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python{2_7,3_4} )
-
-inherit cmake-utils python-r1
-
-DESCRIPTION="Cheminformatics and machine-learning software written in C++ and 
Python"

[gentoo-commits] proj/sci:master commit in: sci-libs/rdkit/

2015-11-20 Thread Justin Lecher 
commit: 4f6c87e3500f9750f66edd527a2fbf8fe7ac612b
Author: Gao, Xiang  gmail  com>
AuthorDate: Tue Nov 17 22:18:35 2015 +
Commit: Justin Lecher  gentoo  org>
CommitDate: Tue Nov 17 22:18:35 2015 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=4f6c87e3

fix dependency on python

 sci-libs/rdkit/rdkit-.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-libs/rdkit/rdkit-.ebuild b/sci-libs/rdkit/rdkit-.ebuild
index 0b4f40a..be37c58 100644
--- a/sci-libs/rdkit/rdkit-.ebuild
+++ b/sci-libs/rdkit/rdkit-.ebuild
@@ -21,7 +21,7 @@ REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
 
 RDEPEND="dev-libs/boost
python? (
-   dev-libs/boost[${PYTHON_USEDEP}]
+   dev-libs/boost[python,${PYTHON_USEDEP}]
dev-python/numpy[${PYTHON_USEDEP}]
)
>=dev-db/sqlite-3"

[gentoo-commits] proj/sci:master commit in: sci-libs/rdkit/

2015-11-20 Thread Justin Lecher 
commit: d3e18a1c5c48d14f6505981961d573c4a66c6e2e
Author: Gao, Xiang  gmail  com>
AuthorDate: Tue Nov 17 22:17:54 2015 +
Commit: Justin Lecher  gentoo  org>
CommitDate: Tue Nov 17 22:17:54 2015 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=d3e18a1c

if rdkit don't uses python,boost won't need use

if rdkit don't uses python,boost won't need use

 sci-libs/rdkit/rdkit-2015.03.1.ebuild | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/sci-libs/rdkit/rdkit-2015.03.1.ebuild 
b/sci-libs/rdkit/rdkit-2015.03.1.ebuild
index 21b444b..38e30e9 100644
--- a/sci-libs/rdkit/rdkit-2015.03.1.ebuild
+++ b/sci-libs/rdkit/rdkit-2015.03.1.ebuild
@@ -18,9 +18,9 @@ KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
 IUSE="+python -static-libs"
 REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
 
-RDEPEND="dev-libs/boost[python]
+RDEPEND="dev-libs/boost
python? (
-   dev-libs/boost[${PYTHON_USEDEP}]
+   dev-libs/boost[python,${PYTHON_USEDEP}]
dev-python/numpy[${PYTHON_USEDEP}]
)
>=dev-db/sqlite-3"

[gentoo-commits] proj/sci:master commit in: sci-libs/rdkit/

2015-11-20 Thread Justin Lecher 
commit: d74e903a793e3340ba471d976e135d580936ba77
Author: Gao, Xiang  gmail  com>
AuthorDate: Mon Nov 16 19:40:36 2015 +
Commit: Justin Lecher  gentoo  org>
CommitDate: Mon Nov 16 19:40:36 2015 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=d74e903a

fix dependency on boost[python]

rdkit should requires that boost is installed with python support.

 sci-libs/rdkit/rdkit-2015.03.1.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-libs/rdkit/rdkit-2015.03.1.ebuild 
b/sci-libs/rdkit/rdkit-2015.03.1.ebuild
index 68ee45f..21b444b 100644
--- a/sci-libs/rdkit/rdkit-2015.03.1.ebuild
+++ b/sci-libs/rdkit/rdkit-2015.03.1.ebuild
@@ -18,7 +18,7 @@ KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
 IUSE="+python -static-libs"
 REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
 
-RDEPEND="dev-libs/boost
+RDEPEND="dev-libs/boost[python]
python? (
dev-libs/boost[${PYTHON_USEDEP}]
dev-python/numpy[${PYTHON_USEDEP}]

[gentoo-commits] proj/sci:master commit in: sci-libs/rdkit/

2015-09-13 Thread Justin Lecher 
commit: 313b01351deeddc59f17cdfd2f95fd0572b99348
Author: mschubert  gmail  com>
AuthorDate: Sun Sep 13 14:27:10 2015 +
Commit: Justin Lecher  gentoo  org>
CommitDate: Sun Sep 13 14:27:10 2015 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=313b0135

sci-libs/rdkit: simplify USE checks

Package-Manager: portage-2.2.20-prefix

 sci-libs/rdkit/ChangeLog  |  4 
 sci-libs/rdkit/rdkit-2015.03.1.ebuild | 10 ++
 sci-libs/rdkit/rdkit-.ebuild  | 10 ++
 3 files changed, 8 insertions(+), 16 deletions(-)

diff --git a/sci-libs/rdkit/ChangeLog b/sci-libs/rdkit/ChangeLog
index 2c1da33..e5b9ddb 100644
--- a/sci-libs/rdkit/ChangeLog
+++ b/sci-libs/rdkit/ChangeLog
@@ -2,6 +2,10 @@
 # Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2
 # $Id$
 
+  13 Sep 2015; Michael Schubert  rdkit-2015.03.1.ebuild,
+  rdkit-.ebuild:
+  sci-libs/rdkit: simplify USE checks
+
   13 Sep 2015; Marius Brehler  
rdkit-2015.03.1.ebuild,
   rdkit-.ebuild:
   sci-libs/rdkit: Fix cmake args

diff --git a/sci-libs/rdkit/rdkit-2015.03.1.ebuild 
b/sci-libs/rdkit/rdkit-2015.03.1.ebuild
index fed972a..68ee45f 100644
--- a/sci-libs/rdkit/rdkit-2015.03.1.ebuild
+++ b/sci-libs/rdkit/rdkit-2015.03.1.ebuild
@@ -33,15 +33,9 @@ src_configure() {
-DCMAKE_INSTALL_PREFIX:PATH="${EPREFIX}"/usr
-DRDK_INSTALL_INTREE=0
-DRDK_BUILD_CPP_TESTS=OFF
+   $(cmake-utils_use static-libs RDK_INSTALL_STATIC_LIBS)
+   $(cmake-utils_use python RDK_BUILD_PYTHON_WRAPPERS)
)
 
-   if ! use static-libs; then
-   mycmakeargs+=( -DRDK_INSTALL_STATIC_LIBS=OFF )
-   fi
-
-   if ! use python; then
-   mycmakeargs+=( -DRDK_BUILD_PYTHON_WRAPPERS=OFF )
-   fi
-
cmake-utils_src_configure
 }

diff --git a/sci-libs/rdkit/rdkit-.ebuild b/sci-libs/rdkit/rdkit-.ebuild
index d61982e..0b4f40a 100644
--- a/sci-libs/rdkit/rdkit-.ebuild
+++ b/sci-libs/rdkit/rdkit-.ebuild
@@ -32,15 +32,9 @@ src_configure() {
-DCMAKE_INSTALL_PREFIX:PATH="${EPREFIX}"/usr
-DRDK_INSTALL_INTREE=0
-DRDK_BUILD_CPP_TESTS=OFF
+   $(cmake-utils_use static-libs RDK_INSTALL_STATIC_LIBS)
+   $(cmake-utils_use python RDK_BUILD_PYTHON_WRAPPERS)
)
 
-   if ! use static-libs; then
-   mycmakeargs+=( -DRDK_INSTALL_STATIC_LIBS=OFF )
-   fi
-
-   if ! use python; then
-   mycmakeargs+=( -DRDK_BUILD_PYTHON_WRAPPERS=OFF )
-   fi
-
cmake-utils_src_configure
 }

[gentoo-commits] proj/sci:master commit in: sci-libs/rdkit/

2015-09-13 Thread Justin Lecher 
commit: dbdead3cd3bf90ddada5b8e50d0b58596763d298
Author: layman  localhost>
AuthorDate: Sat Sep 12 22:49:54 2015 +
Commit: Justin Lecher  gentoo  org>
CommitDate: Sat Sep 12 22:57:31 2015 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=dbdead3c

sci-libs/rdkit: initial commit

Package-Manager: portage-2.2.20-prefix

 sci-libs/rdkit/ChangeLog  | 10 
 sci-libs/rdkit/metadata.xml   | 12 +
 sci-libs/rdkit/rdkit-2015.03.1.ebuild | 47 +++
 sci-libs/rdkit/rdkit-.ebuild  | 46 ++
 4 files changed, 115 insertions(+)

diff --git a/sci-libs/rdkit/ChangeLog b/sci-libs/rdkit/ChangeLog
new file mode 100644
index 000..8a83ba7
--- /dev/null
+++ b/sci-libs/rdkit/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-libs/rdkit
+# Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2
+# $Id$
+
+*rdkit-2015.03.1 (12 Sep 2015)
+*rdkit- (12 Sep 2015)
+
+  12 Sep 2015; Michael Schubert  +metadata.xml,
+  +rdkit-2015.03.1.ebuild, +rdkit-.ebuild:
+  sci-libs/rdkit: initial commit

diff --git a/sci-libs/rdkit/metadata.xml b/sci-libs/rdkit/metadata.xml
new file mode 100644
index 000..cfa0f50
--- /dev/null
+++ b/sci-libs/rdkit/metadata.xml
@@ -0,0 +1,12 @@
+
+http://www.gentoo.org/dtd/metadata.dtd;>
+
+  sci-chemistry
+  
+mschu@gmail.com
+Michael Schubert
+  
+  
+rdkit/rdkit
+  
+

diff --git a/sci-libs/rdkit/rdkit-2015.03.1.ebuild 
b/sci-libs/rdkit/rdkit-2015.03.1.ebuild
new file mode 100644
index 000..e98b017
--- /dev/null
+++ b/sci-libs/rdkit/rdkit-2015.03.1.ebuild
@@ -0,0 +1,47 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit cmake-utils python-r1
+
+DESCRIPTION="Cheminformatics and machine-learning software written in C++ and 
Python"
+HOMEPAGE="http://www.rdkit.org/;
+SRC_URI="https://github.com/rdkit/rdkit/archive/Release_${PV//./_}.tar.gz -> 
${P}.tar.gz"
+
+LICENSE="BSD"
+SLOT="0"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="+python -static-libs"
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+RDEPEND="dev-libs/boost
+   python? (
+   dev-libs/boost[${PYTHON_USEDEP}]
+   dev-python/numpy[${PYTHON_USEDEP}]
+   )
+   >=dev-db/sqlite-3"
+DEPEND="${RDEPEND}"
+
+S="${WORKDIR}"/rdkit-Release_${PV//./_}
+
+src_configure() {
+   local mycmakeargs=(
+   -DCMAKE_INSTALL_PREFIX:PATH="${EPREFIX}"/usr
+   -DRDK_INSTALL_INTREE=0
+   -DRDK_BUILD_CPP_TESTS=OFF
+   )
+
+   if ! use static-libs; then
+   mycmakeargs+=( -DRDK_INSTALL_STATIC_LIBS=OFF )
+   fi
+
+   if ! use python; then
+   mycmakeargs+=( RDK_BUILD_PYTHON_WRAPPERS= )
+   fi
+
+   cmake-utils_src_configure
+}

diff --git a/sci-libs/rdkit/rdkit-.ebuild b/sci-libs/rdkit/rdkit-.ebuild
new file mode 100644
index 000..dfa196f
--- /dev/null
+++ b/sci-libs/rdkit/rdkit-.ebuild
@@ -0,0 +1,46 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python{2_7,3_3,3_4} )
+
+inherit cmake-utils python-r1 git-r3
+
+DESCRIPTION="Cheminformatics and machine-learning software written in C++ and 
Python"
+HOMEPAGE="http://www.rdkit.org/;
+SRC_URI=""
+EGIT_REPO_URI="https://github.com/rdkit/rdkit.git;
+
+LICENSE="BSD"
+SLOT="0"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="+python -static-libs"
+REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
+
+RDEPEND="dev-libs/boost
+   python? (
+   dev-libs/boost[${PYTHON_USEDEP}]
+   dev-python/numpy[${PYTHON_USEDEP}]
+   )
+   >=dev-db/sqlite-3"
+DEPEND="${RDEPEND}"
+
+src_configure() {
+   local mycmakeargs=(
+   -DCMAKE_INSTALL_PREFIX:PATH="${EPREFIX}"/usr
+   -DRDK_INSTALL_INTREE=0
+   -DRDK_BUILD_CPP_TESTS=OFF
+   )
+
+   if ! use static-libs; then
+   mycmakeargs+=( -DRDK_INSTALL_STATIC_LIBS=OFF )
+   fi
+
+   if ! use python; then
+   mycmakeargs+=( RDK_BUILD_PYTHON_WRAPPERS= )
+   fi
+
+   cmake-utils_src_configure
+}

[gentoo-commits] proj/sci:master commit in: sci-libs/rdkit/

2015-09-13 Thread Justin Lecher 
commit: ed8fb25203c90f2049a41a421c54713641f7cd66
Author: Marius Brehler  linux  sungazer  de>
AuthorDate: Sun Sep 13 08:40:13 2015 +
Commit: Justin Lecher  gentoo  org>
CommitDate: Sun Sep 13 08:40:13 2015 +
URL:https://gitweb.gentoo.org/proj/sci.git/commit/?id=ed8fb252

sci-libs/rdkit: Fix cmake args

Package-Manager: portage-2.2.20.1

 sci-libs/rdkit/ChangeLog  | 4 
 sci-libs/rdkit/rdkit-2015.03.1.ebuild | 2 +-
 sci-libs/rdkit/rdkit-.ebuild  | 2 +-
 3 files changed, 6 insertions(+), 2 deletions(-)

diff --git a/sci-libs/rdkit/ChangeLog b/sci-libs/rdkit/ChangeLog
index 8a83ba7..2c1da33 100644
--- a/sci-libs/rdkit/ChangeLog
+++ b/sci-libs/rdkit/ChangeLog
@@ -2,6 +2,10 @@
 # Copyright 1999-2015 Gentoo Foundation; Distributed under the GPL v2
 # $Id$
 
+  13 Sep 2015; Marius Brehler  
rdkit-2015.03.1.ebuild,
+  rdkit-.ebuild:
+  sci-libs/rdkit: Fix cmake args
+
 *rdkit-2015.03.1 (12 Sep 2015)
 *rdkit- (12 Sep 2015)
 

diff --git a/sci-libs/rdkit/rdkit-2015.03.1.ebuild 
b/sci-libs/rdkit/rdkit-2015.03.1.ebuild
index e98b017..fed972a 100644
--- a/sci-libs/rdkit/rdkit-2015.03.1.ebuild
+++ b/sci-libs/rdkit/rdkit-2015.03.1.ebuild
@@ -40,7 +40,7 @@ src_configure() {
fi
 
if ! use python; then
-   mycmakeargs+=( RDK_BUILD_PYTHON_WRAPPERS= )
+   mycmakeargs+=( -DRDK_BUILD_PYTHON_WRAPPERS=OFF )
fi
 
cmake-utils_src_configure

diff --git a/sci-libs/rdkit/rdkit-.ebuild b/sci-libs/rdkit/rdkit-.ebuild
index dfa196f..d61982e 100644
--- a/sci-libs/rdkit/rdkit-.ebuild
+++ b/sci-libs/rdkit/rdkit-.ebuild
@@ -39,7 +39,7 @@ src_configure() {
fi
 
if ! use python; then
-   mycmakeargs+=( RDK_BUILD_PYTHON_WRAPPERS= )
+   mycmakeargs+=( -DRDK_BUILD_PYTHON_WRAPPERS=OFF )
fi
 
cmake-utils_src_configure